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O([C@@H]1C[C@]2(N)[C@@H](C2)C1)C(=O)c1ccccc1	PC-id_50900876	217.264	KEFNECFCVFSZLR-MDZLAQPJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-051939
O([C@H]1C[C@@]2(N)[C@H](C2)C1)C(=O)c1ccccc1	PC-id_50901061	217.264	KEFNECFCVFSZLR-DMDPSCGWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-051940
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O=C(Nc1ccccc1)O[C@@H]1CC[C@@H]2[C@H]1C2	NSC245087,CoCoCo_5554859	217.264	GAPHKNDCJNCIDX-MVWJERBFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-051945
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OC(=O)[C@]12C[C@H]1CCN2Cc1ccccc1	PC-id_142646252	217.264	BEMLHRLBRYDQDP-YPMHNXCESA-N	00100010000000110000010000000000000000000000000000000000	22-01-051954
OC(=O)[C@]12C[C@H]1CN(Cc1ccccc1)C2	EMOLS-id_324518001,ZINC22_34724699	217.264	COCNBXQWBCBUHL-AAEUAGOBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051955
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OC(=O)C12[C@@H](C1)CN(C2)Cc1ccccc1	PC-id_68571265,SCHEMBL3259925	217.264	COCNBXQWBCBUHL-AMGKYWFPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051959
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OC(=O)[C@]12NC[C@@H]([C@H]1C2)Cc1ccccc1	PC-id_11746065	217.264	KPERCHNZOGNHTM-DMDPSCGWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051961
OC(=O)C1C2(C1CNC2)Cc1ccccc1	PC-id_19002257	217.264	YLXALVYQXOGYNN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051962
OC(=O)C1C2C1CNC2Cc1ccccc1	PC-id_82614379	217.264	PSMIVPOGBZZCGO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051963
OC(=O)C1C2C1CN(C2)Cc1ccccc1	SCHEMBL8919911,MCULE-8496805327,EMOLS-id_44470475,PC-id_10976900	217.264	YGNSZJXUFXZCPP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051964
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OC(=O)C1(CC2C(C2)C1)Cc1ccncc1	PC-id_80468332	217.264	HVAHSTSQTHGGJP-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-051966
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OC(=O)c1ccc(CN2CC3C(C3)C2)cc1	PC-id_83821742	217.264	BIKDVYXDEXGHFR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051968
OC(=O)c1cc(CN2CC3C(C3)C2)ccc1	PC-id_83821741	217.264	ZDUZKRQRBHIVJX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051969
OC(=O)c1c(CN2CC3C(C3)C2)cccc1	PC-id_83821740	217.264	MIOAOAVHJXCDTH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051970
OC(=O)C1[C@H]2CN(Cc3ccccc3)C[C@@H]12	EMOLS-id_324049135,ZINC22_34586257,SCHEMBL19971626,PC-id_11063880	217.264	YGNSZJXUFXZCPP-FOSCPWQOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051971
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O(C(=O)C1NC2C(C2)C1)Cc1ccccc1	PC-id_15593314	217.264	LVLUPFZJKJZVDL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051975
OC(=O)C1N(CC2C1C2)Cc1ccccc1	PC-id_84682695	217.264	SBSIJXSRTAUGMH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051976
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OC(=O)[C@@H]1[C@@]2([C@H]1CNC2)Cc1ccccc1	PC-id_54515132,SCHEMBL9129297	217.264	YLXALVYQXOGYNN-LOWVWBTDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051981
OC(=O)[C@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12	EMOLS-id_331228807,SCHEMBL19971625	217.264	YGNSZJXUFXZCPP-ZSBIGDGJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051982
OC(=O)C(N1CC2C(C2)C1)c1ccccc1	PC-id_83821750	217.264	YCSGUMLAICLBRR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-051983
C1C2C1C(NC2)C(=O)NCc1cnccc1	PC-id_91134438	217.267	UUNSQLVVJOWDOK-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051984
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Cc1cccc(C(=O)N2C[C@@H]3C[C@]3(N)C2)n1	PC-id_97377709,ZINC22_96054698	217.267	YFLFZLNHFYNYQM-CABZTGNLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051986
Cc1cccc(C(=O)N2C[C@@H]3C[C@@]3(N)C2)n1	PC-id_98787961,ZINC22_107363297	217.267	YFLFZLNHFYNYQM-JOYOIKCWSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051987
Cc1cccc(C(=O)N2C[C@H]3C[C@]3(N)C2)n1	ZINC22_107363294,PC-id_98787960	217.267	YFLFZLNHFYNYQM-SKDRFNHKSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051988
Cc1cccc(C(=O)N2C[C@H]3C[C@@]3(N)C2)n1	ZINC22_96054699,PC-id_97377710	217.267	YFLFZLNHFYNYQM-BXKDBHETSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051989
Cc1cccc(n1)C(=O)N1CC2CC2(N)C1	EMOLS-id_46141877	217.267	YFLFZLNHFYNYQM-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051990
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CC1(C)[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]12	ZINC22_102728490	217.267	DLKKVUSPMDJBEO-RKDXNWHRSA-N	00100010000000100001010000000000000000000000000000000000	22-01-051992
CC1(C)[C@H]2CN(C(=O)c3cnccn3)C[C@@H]12	ZINC22_98013443	217.267	DLKKVUSPMDJBEO-DTORHVGOSA-N	00100010000000100001010000000000000000000000000000000000	22-01-051993
Cc1cncc(c1)C(=O)N1CC2CC2(N)C1	EMOLS-id_46141879	217.267	KWPQQPMLQIKMGL-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051994
Cc1cncc(C(=O)N2C[C@H]3C[C@@]3(N)C2)c1	PC-id_97377712,ZINC22_96054701	217.267	KWPQQPMLQIKMGL-ZYHUDNBSSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051995
Cc1cncc(C(=O)N2C[C@H]3C[C@]3(N)C2)c1	ZINC22_106957234,PC-id_98769798	217.267	KWPQQPMLQIKMGL-PWSUYJOCSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051996
Cc1cncc(C(=O)N2C[C@@H]3C[C@@]3(N)C2)c1	ZINC22_106957236,PC-id_98769799	217.267	KWPQQPMLQIKMGL-CMPLNLGQSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051997
Cc1cncc(C(=O)N2C[C@@H]3C[C@]3(N)C2)c1	ZINC22_96054700,PC-id_97377711	217.267	KWPQQPMLQIKMGL-JQWIXIFHSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051998
Cc1nccc(c1)C(=O)NC1C2C1CNC2	PC-id_106753560	217.267	JIBJEXLJFYCQBK-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-051999
Cc1nncc(c1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102243506	217.267	DNKHJQFNYKFCDL-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-052000
CC=C(C(=C)O)N1n2n1c(ccccc2)C	PC-id_89366702	217.267	UPDYVDOQAZQLFE-UHFFFAOYSA-N	00010000000000000111010000000000000000000000000000000000	22-01-052001
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NC1C2C1CN(C2)C(=O)c1cncc(c1)C	SCHEMBL17972960,PC-id_122450685	217.267	REWZZNILWVPXLI-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-052004
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O=C(Nc1cc(ccc1)CO)C1C2C1CCC2	PC-id_81643979	231.29	VNDHNIVNCYPKJG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061937
O=C(Nc1cc(ccc1)CO)C1CC2C(C2)C1	PC-id_80469044	231.29	SQWJTHYAUQZZTP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061938
O=C(Nc1c(cccc1)CO)C1CC2C(C2)C1	PC-id_80469221	231.29	PSQMALYVAMWIML-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061939
O=C(Nc1ccc(cc1)CO)C1CC2C(C2)C1	PC-id_80469223	231.29	IIDUIAPJMZKSBL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061940
O=C(Nc1ccc(O)cc1)C1C2C1CCCC2	PC-id_81644423	231.29	WLUZWJKLSAMYGJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061941
O=C(N(c1ccc(O)cc1)C)C1C2C1CCC2	PC-id_79672744	231.29	XWOZAACYJMIQOT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061942
O=C(Nc1c(cc(O)cc1)C)C1C2C1CCC2	PC-id_79673657	231.29	IEVHBDUIWHATQH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061943
O=C(Nc1cc(c(O)cc1)C)C1C2C1CCC2	PC-id_81643496	231.29	OVPKPMHGFXFJIC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061944
O=C(N(c1ccc(O)cc1)C)C1CC2C(C2)C1	PC-id_80468080	231.29	OFCKSFSPPHAQTH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061945
O=C(Nc1c(cc(O)cc1)C)C1CC2C(C2)C1	PC-id_80468392	231.29	UTIKFRVTVIOLJY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061946
O=C(Nc1cc(c(O)cc1)C)C1CC2C(C2)C1	PC-id_81566134	231.29	XWAWETZJQLAYBG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061947
O=C(Nc1ccc(OC)cc1)C1CC2C(C2)C1	PC-id_80472265	231.29	IAYACTOIUJLYEC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061948
O=C(Nc1cc(O)ccc1)C1C2C1CCCC2	PC-id_81644514	231.29	LXVUGVNQHINDJW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061949
O=C(Nc1c(c(O)ccc1)C)C1C2C1CCC2	PC-id_81644041	231.29	SBVKXKQYWOOZSB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061950
O=C(Nc1c(c(O)ccc1)C)C1CC2C(C2)C1	PC-id_80467831	231.29	REWSYXDECFWVNG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061951
O=C(Nc1cc(O)c(cc1)C)C1CC2C(C2)C1	PC-id_80467832	231.29	AAUNABYPQBBLDD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061952
O=C(Nc1cc(OC)ccc1)C1CC2C(C2)C1	PC-id_80472547	231.29	UYHDUFXPWPELKG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061953
O=C(Nc1c(O)cc(cc1)C)C1C2C1CCC2	PC-id_79672445	231.29	DBHXEUSMKFUUIJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061954
O=C(Nc1c(O)cc(cc1)C)C1CC2C(C2)C1	PC-id_80468271	231.29	IBSVEMLZLCTICG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061955
O=C(Nc1c(OC)cccc1)C1CC2C(C2)C1	PC-id_80472473	231.29	FWPJECKTGJYNHQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061956
O=C(NCc1cc(O)ccc1)C1C2C1CCC2	PC-id_79672750	231.29	ZFGUNHYNDHOWJD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061957
O=C(NCc1cc(O)ccc1)C1CC2C(C2)C1	PC-id_80468170	231.29	XTQSVQSNBXFSGQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061958
O=C(NOCc1ccccc1)C1C2C1CCC2	PC-id_79600470	231.29	KFBCLBDJWLQOAO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061959
O=C(NOCc1ccccc1)C1CC2C(C2)C1	PC-id_80467872	231.29	BNOOLVVLPJTDMW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061960
OC(=O)C12C(C1)CCN(C2)Cc1ccccc1	PC-id_82663132	231.29	HCSAXXWPLMSTDN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061961
OC(=O)C12C(C1)CN(C2C)Cc1ccccc1	PC-id_20089949	231.29	WBEZRIWYKHUEFN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061962
OC(=O)C12C(C1)CN(C2)C(C)c1ccccc1	PC-id_21256580	231.29	VDMYAFRRTPOXJJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061963
OC(=O)[C@]12C(C1)CN(C2)CCc1ccccc1	PC-id_69634019,SCHEMBL6007973	231.29	OUPAPKNZCWXBGH-TYZXPVIJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061964
OC(=O)C12C(C1)CN(C2)CCc1ccccc1	SCHEMBL6007978,PC-id_69634023	231.29	OUPAPKNZCWXBGH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061965
OC(=O)C12C(C1)CN(C2)[C@@H](C)c1ccccc1	PC-id_69634018,SCHEMBL6007971	231.29	VDMYAFRRTPOXJJ-JKDOVBDQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061966
OC(=O)C12C(C1)CN(CC2)Cc1ccccc1	PC-id_82663133	231.29	CIENLZAPTFCNJV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061967
OC(=O)[C@]12C[C@H]1CCCN2Cc1ccccc1	PC-id_142646238	231.29	RMPIQXBDVQAFEY-OCCSQVGLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061968
OC(=O)[C@]12[C@H](C1)CN([C@@H]2C)Cc1ccccc1	PC-id_54421591	231.29	WBEZRIWYKHUEFN-MPKXVKKWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061969
OC(=O)[C@]12[C@H](C1)CN([C@H]2C)Cc1ccccc1	PC-id_54421592	231.29	WBEZRIWYKHUEFN-ZKYQVNSYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061970
OC(=O)C12C(N(CCC1)Cc1ccccc1)C2	PC-id_82663131	231.29	BKFQDZCRKXGMDO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061971
OC(=O)[C@]12CN(C[C@H]1C2)CCc1ccccc1	PC-id_140983827	231.29	OUPAPKNZCWXBGH-TZMCWYRMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061972
OC(=O)C1C2C1CN(C2)Cc1cccc(c1)C	PC-id_115009431	231.29	GRXBVVAXDIURFU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061973
OC(=O)C1C2C1CN(C2)Cc1ccccc1C	PC-id_115009457	231.29	QCHXKDOOTNGQBB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061974
OC(=O)C1C2C1CN(C2)Cc1ccc(cc1)C	PC-id_115009480	231.29	XBIRYRKPJHUYSF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061975
OC(=O)C1(C2C1CN(C2)Cc1ccccc1)C	PC-id_84694672	231.29	XNVNVACZOVAHBH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061976
OC(=O)C1C2C1N(CCC2)Cc1ccccc1	PC-id_82390567	231.29	MIKQJBLMGRYYRS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061977
OC(=O)C1(CC2C(C1)C2)Cc1ncccc1C	PC-id_112650938	231.29	YYBZVENCFRDHCN-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-061978
O=C(OC1CC2C(C1)C2)NCc1ccccc1	PC-id_144770969	231.29	PHLMTIXQABGQDO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061979
OC(=O)C1(CC2C(C2)C1)Cc1nc(ccc1)C	PC-id_80468149	231.29	CXCPJVRQPLEZJF-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-061980
OC(=O)C1(CC2C(C2)C1)CCc1cccnc1	PC-id_80467945	231.29	MASVMMLXLNIKKH-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-061981
OC(=O)C1(CC2C(C2)C1)CCc1ccncc1	PC-id_80467824	231.29	ZEXIQZBLUJTADS-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-061982
OC(=O)C1(CC2C(C2)C1)CCc1ncccc1	PC-id_80468123	231.29	XUZHXQVCLFCGRA-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-061983
OC(=O)C1(CCC2C1C2)NCc1ccccc1	EMOLS-id_107608603	231.29	VMGKZTYBDUKFKK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061984
OC(=O)c1ccccc1CCN1CC2CC2C1	MCULE-9053931525,EMOLS-id_277318388,PC-id_84694602	231.29	LUXZOYBUHNILNK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061985
OC(=O)c1ccccc1CN1CCCC2C1C2	PC-id_117045344	231.29	QHJSQSFAAMNKPI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061986
OC(=O)c1cccc(c1)CN1CCCC2C1C2	PC-id_117045345	231.29	PZGYQIRVKXUUMM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061987
OC(=O)c1ccc(cc1)CN1CCCC2C1C2	PC-id_117045346	231.29	IAZOKOWDXGJKOB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061988
OC(=O)c1ccc(cc1)CNC1CC2C(C1)C2	EMOLS-id_72899001,PC-id_122126695,MCULE-7012820389	231.29	HNAHNRPAFNTWAK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061989
OC(=O)c1cccc(c1)CNC1CC2C(C1)C2	PC-id_122126696,EMOLS-id_72899003,MCULE-2281982893	231.29	XVXZKMIZVYXVSL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061990
OC(=O)c1ccccc1NC1CCCC2C1C2	PC-id_112739978	231.29	SWVHTFBTVGRZLR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061991
OC(=O)c1cccc(CCN2CC3CC3C2)c1	MCULE-5988533560,PC-id_84694600,EMOLS-id_277318385	231.29	ODKOODWBKBZINX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061992
OC(=O)c1ccc(CCN2CC3CC3C2)cc1	EMOLS-id_277318382,MCULE-3677857408,PC-id_84694601	231.29	VDUJVOWMHRZUIE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061993
OC(=O)C1N(CC2C1C2)Cc1ccc(cc1)C	SCHEMBL16589464,PC-id_117970501	231.29	LJRHJVRQNXHUKL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061994
OC(=O)C1N(CCC2C1C2)Cc1ccccc1	PC-id_84694596	231.29	QTAOZFCVNIEVJG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-061995
OC(=O)C(c1ccccc1)NC1CCC2C1C2	PC-id_112739868	231.29	NYZUFMZTRVTNST-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061996
OC(=O)C(c1ccccc1)NC1CC[C@@H]2[C@H]1C2	PC-id_112740116	231.29	NYZUFMZTRVTNST-ZFDZMSFRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-061997
OC(=O)CC1[C@H]2[C@H]1CN(C2)Cc1ccccc1	PC-id_138522846,SCHEMBL20875290	231.29	LVWKFXXCPMDHCK-STQMWFEESA-N	00100010000000110000010000000000000000000000000000000000	22-01-061998
OC(=O)CC1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	SCHEMBL19023812	231.29	LVWKFXXCPMDHCK-YHWZYXNKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-061999
OC(=O)CC1(Nc2ccccc2)C2C(C2)CC1	PC-id_83840712	231.29	YTCXUXJGSOTUEG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-062000
OC(=O)C[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	SCHEMBL19023808	231.29	LVWKFXXCPMDHCK-XYYAHUGASA-N	00100010000000110000010000000000000000000000000000000000	22-01-062001
OC(=O)C[C@@H]1[C@H]2[C@@H]1CN(C2)Cc1ccccc1	SCHEMBL19023811	231.29	LVWKFXXCPMDHCK-CLLJXQQHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-062002
OC(=O)CC(N1CC2C(C2)C1)c1ccccc1	PC-id_83823932	231.29	QLPGGEIMGDEDFM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-062003
OC(=O)C(N1CC2C(C2)C1)Cc1ccccc1	PC-id_83823933	231.29	XCKZWNYOKNQLPB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-062004
Cc1cccc(NC(=O)N2CCC[C@@H]3C[C@@H]23)n1	ZINC22_585081870	231.294	SWBDBSUULIPSIX-GHMZBOCLSA-N	00100000000010101000010000000000000000000000000000000000	22-01-062005
Cc1cccc(NC(=O)N2CCC[C@@H]3C[C@H]23)n1	ZINC22_585081871	231.294	SWBDBSUULIPSIX-MNOVXSKESA-N	00100000000010101000010000000000000000000000000000000000	22-01-062006
Cc1cccc(NC(=O)N2CCC[C@H]3C[C@H]23)n1	ZINC22_585081872	231.294	SWBDBSUULIPSIX-QWRGUYRKSA-N	00100000000010101000010000000000000000000000000000000000	22-01-062007
Cc1cccc(NC(=O)N2CCC[C@H]3C[C@@H]23)n1	ZINC22_585081873	231.294	SWBDBSUULIPSIX-WDEREUQCSA-N	00100000000010101000010000000000000000000000000000000000	22-01-062008
Cc1ccc(C(=O)NC2C3C2CNC3)c(C)n1	PC-id_55120120,MCULE-7209849291	231.294	WGGHSNIAERAXDH-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-062009
Cc1cc(C)nc(c1)C(=O)NC1C2C1CNC2	PC-id_114269661	231.294	MZBNPPKKEMFHHK-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-062010
Cc1ccc(NC(=O)N2CCC[C@H]3C[C@@H]23)cn1	ZINC22_671734526	231.294	HXRUZPIPMZJHFY-CMPLNLGQSA-N	00100000000010101000010000000000000000000000000000000000	22-01-062011
Cc1ccc(NC(=O)N2CCC[C@H]3C[C@H]23)cn1	ZINC22_671734527	231.294	HXRUZPIPMZJHFY-JQWIXIFHSA-N	00100000000010101000010000000000000000000000000000000000	22-01-062012
Cc1ccc(NC(=O)N2CCC[C@@H]3C[C@H]23)cn1	ZINC22_671734528	231.294	HXRUZPIPMZJHFY-PWSUYJOCSA-N	00100000000010101000010000000000000000000000000000000000	22-01-062013
Cc1ccc(NC(=O)N2CCC[C@@H]3C[C@@H]23)cn1	ZINC22_671734529	231.294	HXRUZPIPMZJHFY-ZYHUDNBSSA-N	00100000000010101000010000000000000000000000000000000000	22-01-062014
Cc1ccc(nn1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102915576	231.294	TUEKPVYLVUMQRH-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-062015
Cc1ccncc1NC(=O)N1CCC[C@H]2C[C@@H]12	ZINC22_1875255593	231.294	NUDPKRRNOCWFIX-CMPLNLGQSA-N	00100000000010101000010000000000000000000000000000000000	22-01-062016
Cc1ccncc1NC(=O)N1CCC[C@H]2C[C@H]12	ZINC22_1875255594	231.294	NUDPKRRNOCWFIX-JQWIXIFHSA-N	00100000000010101000010000000000000000000000000000000000	22-01-062017
Cc1ccncc1NC(=O)N1CCC[C@@H]2C[C@H]12	ZINC22_1875255595	231.294	NUDPKRRNOCWFIX-PWSUYJOCSA-N	00100000000010101000010000000000000000000000000000000000	22-01-062018
Cc1ccncc1NC(=O)N1CCC[C@@H]2C[C@@H]12	ZINC22_1875255596	231.294	NUDPKRRNOCWFIX-ZYHUDNBSSA-N	00100000000010101000010000000000000000000000000000000000	22-01-062019
Cc1ccnc(n1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102589167	231.294	LMGXLZXSCWVLIS-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-062020
Cc1cc(NC(=O)[C@@H]2[C@H]3CNC[C@@H]23)cnc1C	EMOLS-id_313178947,MCULE-9982185982,ZINC22_1119318051	231.294	REPLCUFIXQEIJL-GDNZZTSVSA-N	00100010000000101000010000000000000000000000000000000000	22-01-062021
Cc1cnc(cn1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102417028,MCULE-6536577002,PC-id_71999146	231.294	RGODLMKSLAVAIZ-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-062022
Cc1cnc(C(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)cn1	ZINC22_102728510	231.294	RGODLMKSLAVAIZ-NXEZZACHSA-N	00100010000000100001010000000000000000000000000000000000	22-01-062023
Cc1cnc(C(=O)N2C[C@H]3[C@H](C2)C3(C)C)cn1	ZINC22_102728517	231.294	RGODLMKSLAVAIZ-UWVGGRQHSA-N	00100010000000100001010000000000000000000000000000000000	22-01-062024
Cc1cnc(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)cn1	ZINC22_98013437	231.294	RGODLMKSLAVAIZ-AOOOYVTPSA-N	00100010000000100001010000000000000000000000000000000000	22-01-062025
Cc1cnncc1NC(=O)[C@]12CCCC[C@H]1C2	ZINC22_1875269859	231.294	ILNIHSUSEAVPEO-GWCFXTLKSA-N	00100000000010100001010000000000000000000000000000000000	22-01-062026
Cc1cnncc1NC(=O)[C@@]12CCCC[C@H]1C2	ZINC22_1875269860	231.294	ILNIHSUSEAVPEO-GXFFZTMASA-N	00100000000010100001010000000000000000000000000000000000	22-01-062027
Cc1cnncc1NC(=O)[C@]12CCCC[C@@H]1C2	ZINC22_1875269861	231.294	ILNIHSUSEAVPEO-MFKMUULPSA-N	00100000000010100001010000000000000000000000000000000000	22-01-062028
Cc1cnncc1NC(=O)[C@@]12CCCC[C@@H]1C2	ZINC22_1875269862	231.294	ILNIHSUSEAVPEO-ZWNOBZJWSA-N	00100000000010100001010000000000000000000000000000000000	22-01-062029
Cc1ncc(c(n1)C)C(=O)NC1CC2C(C1)C2	EMOLS-id_102241361	231.294	ZRHMVJRMQGMMOQ-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-062030
Cc1ncc(cn1)NC(=O)C12CCCCC1C2	PC-id_146108390,MCULE-6597442087,EMOLS-id_324051571	231.294	CGMVLNBCHHKGKL-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-062031
Cc1ncc(NC(=O)[C@]23CCCC[C@H]2C3)cn1	ZINC22_865154682	231.294	CGMVLNBCHHKGKL-GWCFXTLKSA-N	00100000000010100001010000000000000000000000000000000000	22-01-062032
Cc1ncc(NC(=O)[C@@]23CCCC[C@H]2C3)cn1	ZINC22_865154683	231.294	CGMVLNBCHHKGKL-GXFFZTMASA-N	00100000000010100001010000000000000000000000000000000000	22-01-062033
Cc1ncc(NC(=O)[C@]23CCCC[C@@H]2C3)cn1	ZINC22_865154684	231.294	CGMVLNBCHHKGKL-MFKMUULPSA-N	00100000000010100001010000000000000000000000000000000000	22-01-062034
Cc1ncc(NC(=O)[C@@]23CCCC[C@@H]2C3)cn1	ZINC22_865154685	231.294	CGMVLNBCHHKGKL-ZWNOBZJWSA-N	00100000000010100001010000000000000000000000000000000000	22-01-062035
Cc1nncc(c1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102428587	231.294	VEFLHYMJAUBLSY-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-062036
CCc1cccc(n1)NC(=O)[C@@H]1CC2[C@H](N1)C2	PC-id_144412705	231.294	PDMMCVBZQNJLGM-JROPRLTOSA-N	00100010000000101000010000000000000000000000000000000000	22-01-062037
CC(c1nccnc1)NC(=O)[C@@H]1C[C@H]2[C@@H](C1)C2	EMOLS-id_319131550	231.294	JIFJQHBSCUWCLD-HQYGRMBUSA-N	00100010000010100001010000000000000000000000000000000000	22-01-062038
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CCCOc1ccc(cc1)C(=O)C1CC2C(C1)C2	PC-id_113657134	244.329	PKBATOHSWVJLRB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071807
CCCOc1ccccc1C(=O)C1CC2C(C1)C2	PC-id_115800681	244.329	DOCXFADCCSOHAJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071808
CC(=COCC1CCC2C(C1)O2)c1ccccc1	PC-id_141588481	244.329	GXPXVBNUGXESTB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071809
CC(Oc1cccc(c1)C(=O)C1C2C1CCC2)C	PC-id_113659877	244.329	BHEWNXVSNOLOHY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071810
CC(Oc1ccccc1C(=O)C1C2C1CCC2)C	PC-id_115788687	244.329	GRDSVYJYIGGQRW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071811
CCOc1ccccc1C(=O)C1C2C1CCCC2	PC-id_113657148	244.329	IXJDJJYYXFSQRR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071812
CCOc1cccc(c1)C(=O)C1C2C1CCCC2	PC-id_115791304	244.329	WRFLSRGAMRNZEA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071813
CC(Oc1ccccc1C(=O)C1CC2C(C1)C2)C	PC-id_115788558	244.329	FCWWVQKNTSHJCT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071814
CC(Oc1cccc(c1)C(=O)C1CC2C(C1)C2)C	PC-id_115788989	244.329	UGGYVDWMHJYEPM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071815
CCO[C@@H]1C[C@@H]2C[C@@]2(C(=O)C1)Cc1ccccc1	PC-id_101500725	244.329	BLBJRZCLHYCITM-FMKPAKJESA-N	00100000000010110000010000000000000000000000000000000000	22-01-071816
CCOC(=O)C1C2C1(CCC2)Cc1ccccc1	PC-id_139820884	244.329	YLDLHSCATMVGCP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071817
COc1ccc(cc1)CCC1C2C1(O)C=CCC2	PC-id_102200748	244.329	VAXZYSYYLWTHMR-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-071818
COc1c(ccc(c1C)C)C(=O)C1C2C1CCC2	PC-id_103435003	244.329	ZWBYNGKIHOVESU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071819
COc1ccc(cc1)CCC(=O)C1C2C1CCC2	PC-id_113657554	244.329	HEWMTYMGKPGHNA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071820
COc1c(ccc(c1C)C)C(=O)C1CC2C(C1)C2	PC-id_103435015	244.329	SXCHKLVAPNHZOD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071821
COc1ccc(cc1)CCC(=O)C1CC2C(C1)C2	PC-id_114974335	244.329	TXEDVWTUIFSZKJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071822
COc1ccc(cc1CC(=O)C1C2C1CCC2)C	PC-id_114965802	244.329	XJLRXVJRNFRWEX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071823
COc1ccc(c(c1)C)C(=O)C1C2C1CCCC2	PC-id_114965516	244.329	XMOMJIQUZSZTBO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071824
COc1ccc(cc1CC(=O)C1CC2C(C1)C2)C	PC-id_113656389	244.329	MTNWJSKISFSNNB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071825
COc1cc(C)c(cc1C)C(=O)C1C2C1CCC2	PC-id_115797929	244.329	DBSIEGPCOYTFJK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071826
COc1cc(C)c(cc1C)C(=O)C1CC2C(C1)C2	PC-id_113661046	244.329	NAEHRISNTDJRIF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071827
COc1cc(C)cc(c1C(=O)C1C2C1CCC2)C	PC-id_106681988	244.329	YNJRMJRHTVKILR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071828
COc1cc(C)cc(c1C(=O)C1CC2C(C1)C2)C	PC-id_106681890	244.329	SAZKOIZGPUUOAB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071829
O1C2(C1CCCC2)CCCC(=O)c1ccccc1	PC-id_72765802	244.329	NNGNADGLARLBEU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071830
O1C2C1CCC(C2)COCc1cc(ccc1)C=C	PC-id_11459201	244.329	BJVWOKJHDGKSDR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071831
O1C2C1CCC(C2)COC/C=C/c1ccccc1	PC-id_21305614	244.329	HDXWCKXZQKGIPL-QPJJXVBHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071832
O1C2C1CCC(C2)COCC=Cc1ccccc1	PC-id_53872201	244.329	HDXWCKXZQKGIPL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071833
O1C2(C1CCCC2)C(O)(CC=C)c1ccccc1	PC-id_72751007	244.329	NKUHTSCZQNANMM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071834
O1C2(C1CC(CC2=O)C)C(C)(C)c1ccccc1	PC-id_85925670	244.329	LMPLMYLDDQVCJM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071835
O1C2(C1(C(=O)CCC2)C)CCCc1ccccc1	PC-id_11851207	244.329	IRSNKSAIWGFFPC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071836
O1[C@]2([C@@H]1CCCC2)CCCC(=O)c1ccccc1	PC-id_11242006	244.329	NNGNADGLARLBEU-HOTGVXAUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071837
O1[C@]2([C@@H]1CCCC2)C(O)(CC=C)c1ccccc1	PC-id_11207286	244.329	NKUHTSCZQNANMM-DLDKDUQYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071838
O=C1C2C(C2)(CCC1)CCCOc1ccccc1	PC-id_10900877	244.329	GSXLQNDJRRHFNB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071839
OC(C1C2C1CCC2)c1ccc(cc1)OC1CC1	PC-id_115838355	244.329	OJCRXFQCICSIPB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071840
OC(C1C2C1CCC2)c1cccc(c1)OC1CC1	PC-id_115838450	244.329	HYEGVAIWJRMGMJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071841
O=C(C1C2C1CCC2)c1cc(c(OC)c(c1)C)C	PC-id_83057785	244.329	QKUGOKDIQCAAHA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071842
O=C(C1C2C1CCC2)c1ccc(OC(C)C)cc1	PC-id_81624560	244.329	SJIFELYLCUSKNB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071843
O=C(C1C2C1CCC2)c1c(OCC)ccc(c1)C	PC-id_81624100	244.329	ZZHVWPLDQUBFFP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071844
O=C(C1C2C1CCCC2)c1cc(c(OC)cc1)C	PC-id_81624863	244.329	HGLPBPIJJHGCIG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071845
O=C(C1C2C1CCCC2)c1ccc(OCC)cc1	PC-id_81625260	244.329	ZFGFAUVCUJSMQR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071846
O=C(C1C2C1CCCC2)c1c(OC)ccc(c1)C	PC-id_81624296	244.329	IKKUQYDOUVIRBL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071847
O=C(C1C2C1CCCC2)Cc1ccc(OC)cc1	PC-id_81631277	244.329	CACXBPMCYSFUDR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071848
O=C(C1C2C1CCCC2)Cc1cc(OC)ccc1	PC-id_81630422	244.329	VBVQUOZKNWNYBF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071849
O=C(C1C2C1CCCC2)Cc1c(OC)cccc1	PC-id_81630647	244.329	LONGOMSWEXEREN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071850
O=C(C1CC2C(C2)C1)c1cc(c(OC)c(c1)C)C	PC-id_83057413	244.329	OZBOVSAZWPKTFH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071851
O=C(C1CC2C(C2)C1)c1ccc(OC(C)C)cc1	PC-id_80466914	244.329	YQSRJBIKPVRMJB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071852
O=C(C1CC2C(C2)C1)c1c(OCC)ccc(c1)C	PC-id_80466981	244.329	UPTUZOPTPWXBEU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071853
O=C(C1CCCC2C(C1)C2)OCc1ccccc1	PC-id_141040262	244.329	GIAMOWQPQLAOSZ-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-071854
O=C(c1ccccc1)CCC[C@]12CCCC[C@H]1O2	PC-id_101123573	244.329	NNGNADGLARLBEU-HZPDHXFCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071855
OC(c1ccc(cc1)OC1CC1)C1CC2C(C1)C2	PC-id_113665592	244.329	DZTWMSMSAMAUER-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071856
OC(c1cccc(c1)OC1CC1)C1CC2C(C1)C2	PC-id_113665595	244.329	XUBTVDPFJRPQQS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071857
O[C@H]1CCCCC[C@H]2[C@@H]1[C@H]2C(=O)c1ccccc1	PC-id_146161998	244.329	MSXPAAVNOOKSMP-AJNGGQMLSA-N	00100000000000110100010000000000000000000000000000000000	22-01-071858
OC(=O)C1(CC2C(C2)C1)Cc1ccc(cc1)CC	PC-id_80467880	244.329	OFCDKPABYUGUBH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071859
OC(=O)C1(CC2C(C2)C1)Cc1cc(c(cc1)C)C	PC-id_80467996	244.329	RMQYNVDSBHLYQX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071860
OC(=O)C1(CC2C(C2)C1)Cc1c(ccc(c1)C)C	PC-id_80468298	244.329	MDOJBIPMGFBVOY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071861
OC(=O)C1(CC2C(C2)C1)Cc1cc(cc(c1)C)C	PC-id_80468378	244.329	BWNHGCDBELHAAL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071862
OC(=O)C1(CC2C(C2)C1)Cc1c(cccc1C)C	PC-id_81922900	244.329	NKJFEDCZTLRVFQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071863
OC(=O)C1(CC2C(C2)C1)CCCc1ccccc1	PC-id_80468062	244.329	SEWOJLMXBQITDE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071864
OCC1NOC(C(C2C1O2)N)C(CC)(CC)C	PC-id_138475314,SCHEMBL20822029	244.331	LDCRGESNAXBNRX-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-071865
C12(CC)CN(CC1C2)C(=O)CCc1ccncc1	EMOLS-id_323926921,PC-id_139599351,MCULE-4368948068	244.332	YWSPRYSLGMGKFK-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-071866
C12(C)CN(CC1C2)C(=O)NCCc1ccccc1	MCULE-5254894929,EMOLS-id_317866972,PC-id_138806584	244.332	CGTBYNWZHKESDU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071867
C1CN(CC2(C1C2)N)C(=O)CCc1ccccc1	PC-id_134189036,SCHEMBL19791933	244.332	VHTUULBYRQNFAZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071868
C1(NC(=O)Cc2ccc(c(C)c2)C)C2C1CNC2	PC-id_62539474,MCULE-3234939959	244.332	XREWBMYWSAXQGE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071869
C[C@]12C[C@H]1CN(C(=O)NCCc1ccccc1)C2	ZINC22_1775976663	244.332	CGTBYNWZHKESDU-DZGCQCFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071870
C[C@@]12C[C@@H]1CN(C(=O)NCCc1ccccc1)C2	ZINC22_1775976671	244.332	CGTBYNWZHKESDU-HIFRSBDPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071871
C[C@]12C[C@@H]1CN(C(=O)NCCc1ccccc1)C2	ZINC22_1775976673	244.332	CGTBYNWZHKESDU-UKRRQHHQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071872
C[C@@]12C[C@H]1CN(C(=O)NCCc1ccccc1)C2	ZINC22_1775976675	244.332	CGTBYNWZHKESDU-ZFWWWQNUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071873
Cc1cccc(c1)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102529166	244.332	XRPUQZLEHRCLJZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071874
Cc1ccc(cc1)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102595443	244.332	AJDLRGWBBWHSCL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071875
Cc1cccc(C)c1NC(=O)N1CCC[C@@H]2C[C@@H]12	ZINC22_585082921	244.332	SOBRSJBXBSGSNQ-CHWSQXEVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071876
Cc1cccc(C)c1NC(=O)N1CCC[C@@H]2C[C@H]12	ZINC22_585082922	244.332	SOBRSJBXBSGSNQ-OLZOCXBDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071877
Cc1cccc(C)c1NC(=O)N1CCC[C@H]2C[C@@H]12	ZINC22_585082923	244.332	SOBRSJBXBSGSNQ-QWHCGFSZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071878
Cc1cccc(C)c1NC(=O)N1CCC[C@H]2C[C@H]12	ZINC22_585082924	244.332	SOBRSJBXBSGSNQ-STQMWFEESA-N	00100000000010110000010000000000000000000000000000000000	22-01-071879
Cc1cc(NC(=O)[C@]23CCCC[C@@H]2C3)cnc1C	ZINC22_893809871	244.332	VBXWOYQHKSHHPV-DOMZBBRYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-071880
Cc1cc(NC(=O)[C@@]23CCCC[C@@H]2C3)cnc1C	ZINC22_893809873	244.332	VBXWOYQHKSHHPV-IUODEOHRSA-N	00100000000010101000010000000000000000000000000000000000	22-01-071881
Cc1cc(NC(=O)[C@@]23CCCC[C@H]2C3)cnc1C	ZINC22_893809875	244.332	VBXWOYQHKSHHPV-SWLSCSKDSA-N	00100000000010101000010000000000000000000000000000000000	22-01-071882
Cc1cc(NC(=O)[C@]23CCCC[C@H]2C3)cnc1C	ZINC22_893809877	244.332	VBXWOYQHKSHHPV-WFASDCNBSA-N	00100000000010101000010000000000000000000000000000000000	22-01-071883
CC[C@]12C[C@H]1CN(C(=O)CCc1ccncc1)C2	ZINC22_1800410661	244.332	YWSPRYSLGMGKFK-DZGCQCFKSA-N	00100010000000101000010000000000000000000000000000000000	22-01-071884
CC[C@@]12C[C@@H]1CN(C(=O)CCc1ccncc1)C2	ZINC22_1800410665	244.332	YWSPRYSLGMGKFK-HIFRSBDPSA-N	00100010000000101000010000000000000000000000000000000000	22-01-071885
CC[C@]12C[C@@H]1CN(C(=O)CCc1ccncc1)C2	ZINC22_1800410666	244.332	YWSPRYSLGMGKFK-UKRRQHHQSA-N	00100010000000101000010000000000000000000000000000000000	22-01-071886
CC[C@@]12C[C@H]1CN(C(=O)CCc1ccncc1)C2	ZINC22_1800410668	244.332	YWSPRYSLGMGKFK-ZFWWWQNUSA-N	00100010000000101000010000000000000000000000000000000000	22-01-071887
CC(c1ccccc1)(C(=O)NC1C2C1CNC2)C	MCULE-1890451397,PC-id_43594425	244.332	SXEXRRLRRFFLEP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071888
CC(c1ccc(cc1)NC(=O)C1C2C1CCC2)N	PC-id_81482642,MCULE-9217610219,EMOLS-id_301748174	244.332	YZOJJIXUTVSBPZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071889
CC(c1ccc(C(=O)NC2C3C2CNC3)cc1)C	PC-id_43594448,MCULE-7075521416	244.332	WDFCKVWUKPCEAO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071890
CC(C)(c1ccccc1)NC(=O)C1C2C1CNC2	SCHEMBL19724633,PC-id_86293126	244.332	GHLIXIWRTKQRFT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071891
CCCN1C[C@H]2[C@H](NC(=O)c3ccccc3)[C@H]2C1	ZINC22_958089463	244.332	UFIKSLKETIOYCM-WDNDVIMCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071892
CC(C)(NC(=O)[C@@H]1[C@H]2CNC[C@@H]12)c1ccccc1	SCHEMBL16252609,BindingDB-id_599423	244.332	GHLIXIWRTKQRFT-ITGUQSILSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071893
CC(C(=O)N1C(CC2C1C2)C#N)C1(CCC1)C=C	PC-id_89528668	244.332	YVZLUNLBCPWEGC-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-071894
CCN(C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)c1cccc(c1)C	EMOLS-id_319504495	244.332	WJIOZVYGLPISFQ-WDNDVIMCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071895
CC(=O)Nc1cc(ccc1C)NC1CC[C@@H]2[C@H]1C2	PC-id_112740052	244.332	LTZASORTVPFQNF-MKDGSZCOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071896
CC(=O)Nc1cccc(c1)NC1CCC[C@@H]2[C@H]1C2	EMOLS-id_316846889,PC-id_136581710	244.332	PHPXEGHPFALRLI-NFCBODTESA-N	00100000000010110000010000000000000000000000000000000000	22-01-071897
CC(=O)Nc1cccc(c1)NC1CCC[C@H]2[C@@H]1C2	PC-id_136583881,EMOLS-id_316831018	244.332	PHPXEGHPFALRLI-IFVPNFOKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071898
CC(=O)Nc1cccc(N[C@@H]2CCC[C@@H]3C[C@H]23)c1	ZINC22_302679866	244.332	PHPXEGHPFALRLI-BYCMXARLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071899
CC(=O)Nc1cccc(N[C@@H]2CCC[C@H]3C[C@@H]23)c1	ZINC22_302679868	244.332	PHPXEGHPFALRLI-NILFDRSVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071900
CC(=O)Nc1cccc(N[C@H]2CCC[C@@H]3C[C@H]23)c1	ZINC22_378889899	244.332	PHPXEGHPFALRLI-UGFHNGPFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-071901
CC(=O)Nc1cccc(N[C@H]2CCC[C@H]3C[C@@H]23)c1	ZINC22_408510450	244.332	PHPXEGHPFALRLI-GLQYFDAESA-N	00100000000010110000010000000000000000000000000000000000	22-01-071902
CC(=O)NCC12CN(CC2C1)Cc1ccccc1	PC-id_15713427,SCHEMBL9182416	244.332	IJTCVRCODZRTAE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-071903
CNC1CC2CC2CN(C1=O)Cc1ccccc1	PC-id_20590027,SCHEMBL14171946	244.332	UXIKHRHUXSRIEP-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-071904
CNCc1cccc(c1)NC(=O)C1C2C1CCC2	MCULE-5341430160,EMOLS-id_302647068,PC-id_81480671	244.332	ZPQHURIYJRZYEG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071905
CNCc1ccc(cc1)NC(=O)C1C2C1CCC2	PC-id_113892071	244.332	IWABLIDHVWRQLE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071906
CNCc1ccc(cc1)NC(=O)C1CC2C(C1)C2	PC-id_106909924	244.332	JAUWHKZGSYAWAO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-071907
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OC[C@]12C[C@H]1CCCN2C(=O)c1ccc([nH]1)C#N	MCULE-4015294449,EMOLS-id_320103509	245.277	DGCRCLXYMFQZJY-NOZJJQNGSA-N	00100000110010000000010000000000000000000000000000000000	22-01-072525
O=C(NC1C2C1CNC2)c1cc(ccc1)C(=O)N	PC-id_54927251	245.277	LNWGCKBAKNWDOW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072526
N#Cc1ncn(n1)CC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111714771	245.28	ZGLFRDGLQVPVIB-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-072527
CC(C)(C)OC(=O)N1CCC(F)(CO)C2CC12	EMOLS-id_317891069	245.291	SALHYFYFRVRYHB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-072528
CN(C1NCNC2C1O2)C1CCC(C(C1)O)F	PC-id_141929482	245.294	DGDFAOGZFNGALG-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-072529
CCC(=O)N[N+]1(CCC2C1O2)CC(OC)OC	SCHEMBL8463003,PC-id_88304325	245.295	BTEWXDUAWAAWOV-UHFFFAOYSA-O	00100010000000000000010000000000000000000000000000000000	22-01-072530
C1CCC2C([C+]2CC1)Nc1ccc(cc1)[N+](=O)[O-]	PC-id_134976500	245.297	WWJMOHOTVUSXPN-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-072531
O=S1(=O)c2c1c(ccn2)CCc1ccccc1	PC-id_141546662	245.297	PWBRANCCNHFKJL-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-072532
O=S(=O)(c1ccc2c(c1)C2)Nc1ccccc1	PC-id_69692651,SCHEMBL6176393	245.297	XXIUABXSLAWTIZ-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-072533
CCCCCCN1C2[C@@H]1[C@H](O)[C@H]([C@@H]([C@H]2O)O)O	PC-id_122396192	245.315	ZYWIINZFCLRZFL-UXDKUJISSA-N	00100000000010000000010000000000000000000000000000000000	22-01-072534
C12C(C1C(=O)OCC)CN(Cc1ccccc1)C2	EMOLS-id_49283204,MCULE-7381671170,PC-id_15818457,SCHEMBL8922062	245.317	YUKFHBYDDJRSIY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072535
C12(CC)CN(CC1C2)Cc1ccccc1C(=O)O	MCULE-3843284175,EMOLS-id_317855424	245.317	WARXVOHCFGTYLM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072536
[C@]12(CO)CN(C[C@H]1C2)C(=O)c1ccccc1CC	PC-id_145939237,EMOLS-id_323999825,ZINC22_783823945,MCULE-5544239849	245.317	WAGOIPHKHQSCBI-DOMZBBRYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072537
C12(C(=O)OCC)C(C1)CN(Cc1ccccc1)C2	MCULE-3212028453,PC-id_89846556,EMOLS-id_45774266,SCHEMBL3228019	245.317	UFLBURFPRRPJQT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072538
C1CN(C2C1C2)CCCOc1ccc(cc1)C=O	PC-id_87319486,SCHEMBL1981215	245.317	AECZHXZDGFRQOV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072539
C1(C(=O)Nc2ccccc2OC)C2C1CCCC2	BindingDB-id_59958,ChEMBL-DNDi_CHEMBL1550700,MCULE-3730666231,BAS-00286098,EMOLS-id_1184338,BindingDB_PC-id_654713,PC-id_654713,CHEMBL1550700	245.317	XKGKSKKKLRKNHN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072540
C1(C(=O)Nc2ccc(cc2)OC)C2C1CCCC2	EMOLS-id_1172606,MCULE-4733855119,PC-id_2827900,CK1483199	245.317	OLXZTVLJOVOAII-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072541
CC1CC2C(C1)C2NC(=O)OCc1ccccc1	PC-id_138533739,SCHEMBL20887306	245.317	LZXXLNGLICWIHQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072542
Cc1ccccc1COC(=O)NC1C2C1CCC2	PC-id_88142227	245.317	OSEBKHHBVZESKW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072543
Cc1ccc(c(c1)C(=O)N1CC2C(C1)C2(C)C)O	EMOLS-id_102421589	245.317	POHFPZGTGKWCQK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072544
Cc1cc(ccc1NC1CCC[C@@H]2[C@H]1C2)C(=O)O	PC-id_112740053	245.317	LKXYYRFMJLDQQP-QXQDIAAESA-N	00100000000010110000010000000000000000000000000000000000	22-01-072545
Cc1ccc(c(c1)O)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102276674	245.317	IAEIIJQCKONTBD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072546
CC[C@@]12C[C@@H]1CN(Cc1ccccc1C(=O)O)C2	ZINC22_1772815767	245.317	WARXVOHCFGTYLM-DOMZBBRYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072547
CC[C@]12C[C@@H]1CN(Cc1ccccc1C(=O)O)C2	ZINC22_1772815768	245.317	WARXVOHCFGTYLM-IUODEOHRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072548
CC[C@]12C[C@H]1CN(Cc1ccccc1C(=O)O)C2	ZINC22_1772815769	245.317	WARXVOHCFGTYLM-SWLSCSKDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072549
CC[C@@]12C[C@H]1CN(Cc1ccccc1C(=O)O)C2	ZINC22_1772815770	245.317	WARXVOHCFGTYLM-WFASDCNBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072550
CCC1C2C1CN(C2)C(=O)OCc1ccccc1	SCHEMBL16092969,PC-id_90455197	245.317	KIGJICOKHVFNJG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072551
C/C(=C/1[C@H]2[C@@H](CC1=O)C2(C)C)/NCc1ccco1	EMOLS-id_26409818,PC-id_16397981,STOCK1N-32919,ZINC22_100749128	245.317	GVSUTPOSFVGGRI-FGEHYREYSA-N	00100010101000000000010000000000000000000000000000000000	22-01-072552
C/C=C(C12CC(O)CCN1O2)/Cc1ccccc1	SCHEMBL17902708,PC-id_121464034	245.317	IPQNWQFGNBVBSM-SILLCRNTSA-N	00100000000010110001010000000000000000000000000000000000	22-01-072553
CC=C(C12CC(O)CCN2O1)Cc1ccccc1	PC-id_90718242,SCHEMBL17930131	245.317	IPQNWQFGNBVBSM-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-072554
C/C=C(/C12CC(O)CCN2O1)Cc1ccccc1	SCHEMBL17902709	245.317	IPQNWQFGNBVBSM-XNJYKOPJSA-N	00100000000010110001010000000000000000000000000000000000	22-01-072555
C/C=C(/[C@]12CC(O)CCN2O1)Cc1ccccc1	SCHEMBL19444551	245.317	IPQNWQFGNBVBSM-CSEBZGACSA-N	00100000000010110001010000000000000000000000000000000000	22-01-072556
C/C=CC(=C(OC)/CC)OCN1c2c1cccc2	PC-id_143712683	245.317	WKWIIEPBKSCZNT-ONCLYALHSA-N	00100000000000100000010000000000000000000000000000000000	22-01-072557
CCCOc1cncc(c1)C(=O)C1C2C1CCC2	PC-id_115794205	245.317	LQYHUNGBMRGPCV-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-072558
CCCOc1cncc(c1)C(=O)C1CC2C(C1)C2	PC-id_113660640	245.317	MXYKKXYFXAACOY-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-072559
CCC(=O)OC1C2C1CN(C2)Cc1ccccc1	PC-id_140794849	245.317	RDLLFSNJWYPJDG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072560
CCN(C(=O)C1C2C1CCC2)c1cccc(c1)O	PC-id_107736280	245.317	VNAOVDCBTSIFGB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072561
CCN(C(=O)C1CC2C(C1)C2)c1cccc(c1)O	PC-id_107736405	245.317	BAUYXEIIBUMSIR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072562
CC(Oc1cncc(c1)C(=O)C1C2C1CCC2)C	PC-id_113660744	245.317	YDTXUMOJWUIJGN-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-072563
CCOc1cncc(c1)C(=O)C1C2C1CCCC2	PC-id_115793760	245.317	FUJKYLXZLQDALD-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-072564
CC(Oc1cncc(c1)C(=O)C1CC2C(C1)C2)C	PC-id_115794610	245.317	GIGLUWCUIZISEX-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-072565
CCOC(=O)C12CC1CCN2Cc1ccccc1	PC-id_101220262,MCULE-1404125949,EMOLS-id_259737674	245.317	YYGAAWJSHBOCKE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072566
CCOC(=O)[C@]12C[C@H]1CN(Cc1ccccc1)C2	PC-id_70930086,SCHEMBL13537596,ZINC22_88425553,EMOLS-id_336528898	245.317	UFLBURFPRRPJQT-ZFWWWQNUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072567
CCOC(=O)[C@@]12C[C@H]1CN(Cc1ccccc1)C2	PC-id_98125113,ZINC22_100641331	245.317	UFLBURFPRRPJQT-DZGCQCFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072568
CCOC(=O)[C@]12C[C@@H]1CN(Cc1ccccc1)C2	ZINC22_100641330,PC-id_98125112	245.317	UFLBURFPRRPJQT-HIFRSBDPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072569
CCOC(=O)[C@@]12C[C@@H]1CN(Cc1ccccc1)C2	ZINC22_88425552,PC-id_97054316,MCULE-8688062235,EMOLS-id_331215293	245.317	UFLBURFPRRPJQT-UKRRQHHQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072570
CCOC(=O)C1C2CC2CN1Cc1ccccc1	MCULE-2349112536,EMOLS-id_259737850	245.317	FRIRBQGQUNHTKU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072571
CCOC(=O)c1ccc(cc1)NC1CCC2C1C2	PC-id_112739976	245.317	WMKDGGWUAGVRJL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072572
CCOC(=O)c1ccccc1NC1CCC2C1C2	PC-id_112739979	245.317	MRWHVTKUULKDRA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072573
CCOC(=O)c1ccc(cc1)NC1CC[C@@H]2[C@H]1C2	PC-id_112739977	245.317	WMKDGGWUAGVRJL-MKDGSZCOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072574
CCOC(=O)C1[C@H]2CN(Cc3ccccc3)C[C@@H]12	EMOLS-id_26986313,ZINC22_26897538,PC-id_11791445,SCHEMBL19971674	245.317	YUKFHBYDDJRSIY-PBWFPOADSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072575
CCOC(=O)C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12	PC-id_98075808,ZINC22_100217956	245.317	YUKFHBYDDJRSIY-CHWSQXEVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072576
CCOC(=O)C1[C@H]2CN(Cc3ccccc3)C[C@H]12	ZINC22_100217961,PC-id_98075810	245.317	YUKFHBYDDJRSIY-STQMWFEESA-N	00100010000000110000010000000000000000000000000000000000	22-01-072577
CCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1Cc1ccccc1	MCULE-8172265491,EMOLS-id_259737671	245.317	NWCKJHGNYVNTEH-IHRRRGAJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072578
CCOC(=O)[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12	SCHEMBL18517409,ZINC22_103525779,MCULE-2854617371,EMOLS-id_50366909	245.317	YUKFHBYDDJRSIY-WDNDVIMCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072579
CCOC(=O)[C@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12	ZINC22_253611542,EMOLS-id_331228295	245.317	YUKFHBYDDJRSIY-BTTYYORXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072580
[C@H]12C(=C(C)NCc3ccco3)C(=O)C[C@H]1C2(C)C	PC-id_71964234,MCULE-9613499904	245.317	GVSUTPOSFVGGRI-BXUZGUMPSA-N	00100010101000000000010000000000000000000000000000000000	22-01-072581
COc1ccc(cc1)CN1CC2C(C1=O)C2(C)C	PC-id_144483615	245.317	FRPXGDXZLUKKAQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072582
COc1ccccc1CN1CC2C(C1=O)C2(C)C	PC-id_144483726	245.317	QSOXYPRJZPFYSW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072583
COc1ccc(cc1)CN1C[C@H]2[C@@H](C1=O)C2(C)C	PC-id_140217194	245.317	FRPXGDXZLUKKAQ-STQMWFEESA-N	00100010000000110000010000000000000000000000000000000000	22-01-072584
COc1ccccc1CNC(=O)C1C2C1CCC2	PC-id_72106922,MCULE-9596706349,EMOLS-id_43401677	245.317	DLKBMNALTSMEOM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072585
COc1ccccc1CNC(=O)C1[C@H]2CCC[C@H]12	ZINC22_101457552,PC-id_98212807	245.317	DLKBMNALTSMEOM-RYUDHWBXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072586
COc1ccccc1CNC(=O)C1[C@@H]2CCC[C@@H]12	ZINC22_101457557,PC-id_98212811	245.317	DLKBMNALTSMEOM-VXGBXAGGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072587
COc1ccccc1CNC(=O)C1[C@@H]2[C@H]1CCC2	PC-id_95972361	245.317	DLKBMNALTSMEOM-ONXXMXGDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072588
COc1ccccc1CNC(=O)[C@@H]1[C@H]2CCC[C@@H]12	ZINC22_246686244	245.317	DLKBMNALTSMEOM-IMRBUKKESA-N	00100010000010110000010000000000000000000000000000000000	22-01-072589
COc1cccc(c1)C(=O)NC1CCC[C@H]2[C@@H]1C2	PC-id_122152432,EMOLS-id_172340294,MCULE-8140446548	245.317	LYILXOOJPACPPG-KDICNWRVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072590
COc1ccccc1NC(=O)C1[C@H]2CCCC[C@@H]12	PC-id_827581,ZINC22_18120760	245.317	XKGKSKKKLRKNHN-BVUQATHDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072591
COc1ccccc1NC(=O)C1[C@H]2CCCC[C@H]12	ZINC22_3159591	245.317	XKGKSKKKLRKNHN-QWRGUYRKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072592
COc1ccccc1NC(=O)C1[C@@H]2CCCC[C@@H]12	ZINC22_348112	245.317	XKGKSKKKLRKNHN-GHMZBOCLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072593
COc1ccccc1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_245380360,CoCoCo_29840	245.317	XKGKSKKKLRKNHN-YABSGUDNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072594
COc1ccccc1NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_29841	245.317	XKGKSKKKLRKNHN-GNXNZQSNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072595
COc1ccc(cc1)NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_588677	245.317	OLXZTVLJOVOAII-BTTYYORXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072596
COc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[C@H]23)c1	ZINC22_408520018	245.317	LYILXOOJPACPPG-DDTOSNHZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072597
COc1cccc(C(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c1	ZINC22_408520020	245.317	LYILXOOJPACPPG-SWHYSGLUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072598
COc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1	ZINC22_300892	245.317	OLXZTVLJOVOAII-STQMWFEESA-N	00100000000010110000010000000000000000000000000000000000	22-01-072599
COc1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1	ZINC22_300897	245.317	OLXZTVLJOVOAII-CHWSQXEVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072600
COc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)cc1	ZINC22_239378246,CoCoCo_588676	245.317	OLXZTVLJOVOAII-WDNDVIMCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-072601
COC1(OC)C=CC2(C1N2Cc1ccccc1)C	PC-id_100989797	245.317	VDPWTIZXLXIGGR-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-072602
COCc1ccc(cc1)NC(=O)C1CC2C(C1)C2	PC-id_114252925	245.317	ZEZOHXWLRPNVST-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072603
COC(=O)[C@@]12C[C@@H]1CCN2[C@@H](c1ccccc1)C	PC-id_102053742	245.317	KTEMZUMCCVJJGJ-OSAQELSMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072604
COC(=O)[C@]12C[C@H]1CN(C2C)Cc1ccccc1	SCHEMBL17462354,PC-id_118681183	245.317	VERNTVQFXKRUOU-MONRWBKMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072605
COC(=O)C12CN(CC1C2)[C@@H](c1ccccc1)C	PC-id_118235710,SCHEMBL16909708	245.317	JKBOMXNPMDTHDH-NUYPLMSZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072606
COC(=O)C1(CCC2C1C2)Nc1ccc(cc1)C	PC-id_112740291	245.317	HWZUSPFQEPPSEE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-072607
COC(=O)C1N(CC2C1C2)Cc1ccc(cc1)C	PC-id_117970497,SCHEMBL16589460	245.317	OSYJKURZLQGNHK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072608
COC(=O)CC1C2C1CN(C2)Cc1ccccc1	PC-id_141530777	245.317	CIYKGKUXKZAUAG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072609
COC(=O)CC1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	PC-id_139036167	245.317	CIYKGKUXKZAUAG-AGUYFDCRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072610
COC(=O)C[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12	EMOLS-id_320419361	245.317	CIYKGKUXKZAUAG-ZSOGYDGISA-N	00100010000000110000010000000000000000000000000000000000	22-01-072611
N1(CC2CC2C1)C(=O)Cc1ccc(OCC)cc1	EMOLS-id_186799233,PC-id_108458128,MCULE-9000886287	245.317	PNLVCXAZFFCCRJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072612
N1(CC2C(C2)C1)C(=O)CCc1ccccc1OC	EMOLS-id_186727614,PC-id_112534829,MCULE-4050406554	245.317	GMMZAFGFGRZSNE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072613
N1(CC2C(C2)C1)C(=O)CCc1cccc(OC)c1	PC-id_112534836,MCULE-9959793181,EMOLS-id_186727641	245.317	SVVWRSCPZBYBED-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072614
N1(CC2C(C2)C1)C(=O)CCc1ccc(OC)cc1	MCULE-9030890099,PC-id_112534827,EMOLS-id_186727608	245.317	RMZXORAKRFTZQC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072615
N1(CC2CC2C1)C(=O)COc1ccc(cc1C)C	MCULE-5055358314,EMOLS-id_186783541,PC-id_108453234	245.317	XNSCOHGQWGEHDI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072616
N1(CC2CC2C1)C(=O)COc1ccccc1CC	MCULE-9858021486,PC-id_108461680,EMOLS-id_186811003	245.317	WABXYLACEBMIAF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-072617
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Clc1cc(CNC(=O)C2CC3C(C3)C2)ccc1	PC-id_80473604	249.736	CNXKEASRDVTXSZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076029
Clc1ccc(NC(=O)C2[C@@H]3[C@H]2CCCC3)cc1	PC-id_835971	249.736	RTUBZGXBNCXVSA-FUNVUKJBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076030
Clc1cc(C(=O)C2C3C2CCCC3)ccc1N	PC-id_81632979	249.736	UFLNVQKSMHRRHO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076031
Clc1cc(NC(=O)C2CC3C(C3)C2)c(cc1)C	PC-id_80472264	249.736	OMPHYJRFYAKYFK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076032
Clc1cc(NC(=O)C2CC3C(C3)C2)ccc1C	PC-id_80472432	249.736	BFPAFINHCKJVTB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076033
Clc1c(c(NC(=O)C2CC3C(C3)C2)ccc1)C	PC-id_80472474	249.736	SGVNFOIBWXKESP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076034
Clc1c(CNC(=O)C2CC3C(C3)C2)cccc1	PC-id_80472411	249.736	AVPBHCVVDQNWSF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076035
Clc1c(C(=O)C2C3C2CCCC3)ccc(N)c1	PC-id_81633722	249.736	FHBZMQYVAOMNIQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076036
Clc1c(NC(=O)C2CC3C(C3)C2)ccc(c1)C	PC-id_80472481	249.736	BNZOXDDHEQGNPK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076037
Clc1c(NC(=O)C2CC3C(C3)C2)c(ccc1)C	PC-id_80472916	249.736	QNLLSBHPIGLJKS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076038
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ClCc1cccc(c1)NC(=O)C1CC2C(C1)C2	PC-id_114293336	249.736	YVKZYLDYCRSMCF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076043
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ClCc1ccc(cc1)NC(=O)C1CC2C(C1)C2	PC-id_114299983	249.736	LATUTSHMTNANPB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076045
N1(CC2CC2C1)C(=O)CCc1ccc(Cl)cc1	EMOLS-id_186770275,PC-id_84582598,MCULE-4443305009	249.736	QNRFFPGEMROIKL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-076046
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O=C(C1CC2C(C1)C2)Nc1cc(C)ccc1Cl	PC-id_113984151	249.736	VQHYACSMQHDTDY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076048
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Nc1ccccc1Cl	CoCoCo_17058	249.736	NBPVREKZJCSHRK-DDFAGTSDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076049
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)Nc1ccc(cc1)Cl	CoCoCo_17078	249.736	RTUBZGXBNCXVSA-ITGUQSILSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076050
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Nc1ccc(cc1)Cl	CoCoCo_17079	249.736	RTUBZGXBNCXVSA-CLLJXQQHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076051
O=C(Nc1ccccc1Cl)C1[C@H]2CCCC[C@@H]12	PC-id_683923,ZINC22_13122926	249.736	NBPVREKZJCSHRK-HWYHXSKPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076052
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CC(c1ccccc1Cl)NC1CCCC2C1C2	PC-id_112739954	249.779	DZMREFVWVURYEU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076059
CCC(c1cccc(c1)Cl)NC1CCC2C1C2	PC-id_114263289	249.779	ZCUXWOYQVGDBTF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076060
C[C@H](c1ccccc1Cl)NC1CCCC2C1C2	PC-id_112740151	249.779	DZMREFVWVURYEU-PCQPQFMKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076061
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Clc1c(CC2(CC3C(C3)C2)CNC)cccc1	PC-id_80469722	249.779	YYBFCKMHPZUWQU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076067
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Clc1ccc(cc1)C(NC1CCC[C@@H]2[C@H]1C2)C	PC-id_112739953	249.779	GIBSEZZWANCLRA-NBBFTKGGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076069
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Clc1c(cc(C(N)C2CC3C(C3)C2)c(c1)C)C	PC-id_80468788	249.779	QHBINWVCQBAZMU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076077
Clc1cc(CC(NC)C2C3C2CCC3)ccc1	PC-id_81630915	249.779	JLYJNKPDUGGHIN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076078
Clc1ccc(C(NC)C2C3C2CCCC3)cc1	PC-id_81624037	249.779	LJCUNBDUMJSWFZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076079
Clc1cc(CC(NC)C2CC3C(C3)C2)ccc1	PC-id_80467787	249.779	QUGDUVRADBLGQT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076080
Clc1ccc(C(NCC)C2C3C2CCC3)cc1	PC-id_81624809	249.779	HQBFXXJMSGEUIC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076081
Clc1ccc(C(NCC)C2CC3C(C3)C2)cc1	PC-id_80468779	249.779	DCLJLOOXIQPHPH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076082
Clc1c(CC(N)C2C3C2CCCC3)cccc1	PC-id_81630220	249.779	ZUXUUSYWLIYJPI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076083
Clc1c(CC(NC)C2C3C2CCC3)cccc1	PC-id_81630230	249.779	HCCSZMOVOUZYDJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076084
Clc1c(CC(NC)C2CC3C(C3)C2)cccc1	PC-id_80467454	249.779	DJEUTAPOVONYGS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076085
ClC(C1C2C1CCCC2)Cc1ncccc1C	PC-id_81632550	249.779	XOBNHPBHKUJCDU-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-076086
ClC(C1C2C1CCCC2)Cc1ncc(cc1)C	PC-id_81633033	249.779	CGFXUTDTUWSVDS-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-076087
ClC(C1C2C1CCCC2)C(C)c1ccncc1	PC-id_81631970	249.779	BYOMBGAJMYDCSR-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-076088
ClC(C1C2C1CCCC2)C(C)c1ncccc1	PC-id_81632786	249.779	HYDTUXWBGDHLPN-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-076089
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CNC(C1C2C1CCCC2)c1cccc(c1)Cl	PC-id_115811395	249.779	LEEBWAOTFSEKCR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076091
CNC(c1ccccc1Cl)C1C2C1CCCC2	PC-id_115801097	249.779	HRDOEJOACCMSQX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-076092
CNC(c1ccc(c(c1)Cl)C)C1CC2C(C1)C2	PC-id_107562121	249.779	OZHDUDKDSYFORC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-076093
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CCNC(c1cccc(c1F)F)C1C2C1CCC2	PC-id_115862014	251.315	DSYWSLDEDWAUKW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077484
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s1c(c(NC(=O)C2C3C2CCC3)cc1)C(=O)O	PC-id_81623225	251.302	XSBGEPNMFAXQAD-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-077467
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s1c(CN2C(=O)C3C(C3C2=O)(C)C)cnc1N	PC-id_79773995	251.305	KPAUPMYDIVDSSV-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-077481
s1c(CN2C(=O)C3C(C3)C2=O)cnc1NCC	PC-id_79774277	251.305	SUDCDIVIAYRTAW-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-077482
CCNC(c1cccc(c1F)F)C1CC2C(C1)C2	PC-id_115861859	251.315	FGZZQVSHLXGLGY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077485
CCNC(c1cc(F)cc(c1)F)C1C2C1CCC2	PC-id_115851691	251.315	QKHVGDKJILWWLC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077486
CCNC(c1cc(F)cc(c1)F)C1CC2C(C1)C2	PC-id_115851549	251.315	BMROKTODBPFZTE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077487
CCNC(c1c(F)cccc1F)C1C2C1CCC2	PC-id_115859884	251.315	MLUOPIKTEWKPMJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077488
CCNC(c1c(F)cccc1F)C1CC2C(C1)C2	PC-id_115859745	251.315	SUTHZPLHHFIWHW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077489
CNC(C1C2C1CCC2)Cc1cc(F)cc(c1)F	PC-id_105412660	251.315	ITWFEGFXVCVOGD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077490
CNC(C1C2C1CCC2)Cc1cc(F)ccc1F	PC-id_115809461	251.315	VAONXRIGOSHGQB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077491
CNCC1(CC2C(C1)C2)Cc1cc(F)cc(c1)F	PC-id_105408467	251.315	WKSURBBWJADQAB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077492
CNC(C1CC2C(C1)C2)Cc1cc(F)cc(c1)F	PC-id_105412722	251.315	BEIJNVCVGVZHAC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077493
CNC(C1CC2C(C1)C2)Cc1cc(F)ccc1F	PC-id_115809490	251.315	OCIMDAUDJJRGAW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077494
CNCC1(CC2C(C1)C2)Cc1c(F)cccc1F	PC-id_113652881	251.315	FXKIGBIGYIADKU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077495
CNC(c1cccc(c1F)F)C1C2C1CCCC2	PC-id_115861849	251.315	IDLZPZQPYOUJHV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-077496
CNC(c1ccc(c(c1F)F)C)C1C2C1CCC2	PC-id_107515492	251.315	GKCISSSMSAVVNK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077497
CNC(c1ccc(c(c1F)F)C)C1CC2C(C1)C2	PC-id_107516071	251.315	ROCJEIURRBGNQI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077498
CNC(c1cc(F)cc(c1)F)C1C2C1CCCC2	PC-id_115851539	251.315	ZXYMQZDEANRXFL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-077499
CNC(c1c(F)cccc1F)C1C2C1CCCC2	PC-id_115859735	251.315	AMLRGVYUVABTIR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-077500
CNC(c1c(F)ccc(c1F)C)C1C2C1CCC2	PC-id_105027025	251.315	MXHSCJMFOXELDX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077501
CNC(c1c(F)ccc(c1F)C)C1CC2C(C1)C2	PC-id_113672360	251.315	OZPMTKDWIFZSGD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077502
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Fc1c(CC2(CC3C(C3)C2)CNC)ccc(F)c1	PC-id_80470194	251.315	YJUXARZQDYLGTA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077504
Fc1c(CC2(CC3C(C3)C2)CNC)cc(F)cc1	PC-id_80470100	251.315	UWLMFNYRDIIIGQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077505
Fc1cc(CC2(CC3C(C3)C2)CNC)ccc1F	PC-id_82929531	251.315	OTZLXGBUQUIZBO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077506
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Fc1cc(CC(NC)C2C3C2CCC3)ccc1F	PC-id_81631831	251.315	TYINDTHXRLCLPE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077512
Fc1cc(CC(NC)C2CC3C(C3)C2)ccc1F	PC-id_80467377	251.315	PAJGCDODSBGIRC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-077513
Fc1c(CC(N)C2C3C2CCCC3)cccc1F	PC-id_81631512	251.315	ZJPJAAVEXSUPMK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-077514
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CC(C)CC1=C(C=CC2(C1(S2)CC(C)C)O)O	PC-id_154324524	254.134	KYJHUUSXIQEKLN-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-080016
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O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Oc1ccc(cc1)C(=O)C	CoCoCo_32961	258.312	HSMYBDZETQHDIU-QDMKHBRRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082889
O(C(=O)C1[C@@H]2[C@H]1CCCC2)c1ccc(cc1)C(=O)C	PC-id_832663	258.312	HSMYBDZETQHDIU-YIONKMFJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082890
C12CCCCC1C2C(=O)NN=Cc1ccccc1O	MCULE-2527549141	258.316	RWHIYSSPLLJQRF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082891
C12CCCCC1C2C(=O)NN=Cc1cccc(O)c1	MCULE-2080995662,PC-id_2833024	258.316	FLEGVTXOINSDOL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082892
C12CCCCC1C2C(=O)NNC(=O)c1ccccc1	BAS-00190454,CK1918253,PC-id_2827902,MCULE-1244298434,EMOLS-id_1172614	258.316	NRRPJHNEWJWHFO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082893
C1CCC2C(C1)C2C(=O)N/N=Cc1ccccc1O	PC-id_135781625	258.316	RWHIYSSPLLJQRF-SXGWCWSVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082894
C1CC[C@H]2[C@@H](C1)C2C(=O)N/N=C/c1ccccc1O	PC-id_135851312	258.316	RWHIYSSPLLJQRF-QEKGWTLVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082895
C1CC[C@H]2[C@@H](C1)C2C(=O)N/N=Cc1ccccc1O	PC-id_135874150	258.316	RWHIYSSPLLJQRF-SZJVARCTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082896
C1CC[C@H]2[C@H](C1)C2C(=O)N/N=Cc1ccccc1O	PC-id_136827990	258.316	RWHIYSSPLLJQRF-PVASGMGSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082897
C1CC[C@@H]2[C@@H](C1)C2C(=O)N/N=Cc1ccccc1O	PC-id_136827991	258.316	RWHIYSSPLLJQRF-CPXLYDPPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082898
C1CC[C@H]2[C@H](C1)C2C(=O)NN=Cc1ccccc1O	PC-id_137207140	258.316	RWHIYSSPLLJQRF-RYUDHWBXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082899
C1CC[C@@H]2[C@@H](C1)C2C(=O)NN=Cc1ccccc1O	PC-id_137207141	258.316	RWHIYSSPLLJQRF-VXGBXAGGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082900
C1(CO)(CO)C2C1CN(Cc1cccc(c1)C#N)C2	MCULE-2789959723,PC-id_137337208,EMOLS-id_317505436	258.316	MENSMPAOSDLHHR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-082901
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CCC(=O)Nc1ccccc1C(=O)N1CC2C(C1)C2	PC-id_136555275,EMOLS-id_316947240,MCULE-5734715235	258.316	RCJYAKIWGVGGGX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-082906
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CCC(=O)Nc1ccccc1C(=O)N1C[C@@H]2C[C@H]2C1	ZINC22_628517544	258.316	RCJYAKIWGVGGGX-QWRGUYRKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-082909
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O1C[C@H]2[C@H](C2C(N[C@@H](CO)c2ccccc2)C#N)C1	SCHEMBL12647339,PC-id_68163910	258.316	OVUPIMXWQOSWKC-HKGGGCDWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-082920
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O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N/N=Cc1cccc(c1)O	CoCoCo_601006	258.316	FLEGVTXOINSDOL-IPZOXVLMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-082945
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C[C@]12C[C@H]1CN(C(=O)CCCCc1cccnc1)C2	ZINC22_1772805612	258.359	QNCDJPUSFHILKY-GOEBONIOSA-N	00100010000000101000010000000000000000000000000000000000	22-01-083088
C[C@@]12C[C@H]1CN(C(=O)CCCCc1cccnc1)C2	ZINC22_1772805613	258.359	QNCDJPUSFHILKY-HOCLYGCPSA-N	00100010000000101000010000000000000000000000000000000000	22-01-083089
C[C@@]12C[C@@H]1CN(C(=O)CCCCc1cccnc1)C2	ZINC22_1772805614	258.359	QNCDJPUSFHILKY-ZBFHGGJFSA-N	00100010000000101000010000000000000000000000000000000000	22-01-083090
CC1CC2CC2N1C(=O)C(c1ccccc1)N(C)C	PC-id_89477359,SCHEMBL14828676	258.359	TVKQIBFZOAVHCI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-083091
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CC[C@@]12C[C@H]1CN(C(=O)c1cccc(N(C)C)c1)C2	ZINC22_1775983350	258.359	WDAVNPYLKBBBFW-BBRMVZONSA-N	00100010000000110000010000000000000000000000000000000000	22-01-083096
CC[C@@]12C[C@@H]1CN(C(=O)c1cccc(N(C)C)c1)C2	ZINC22_1775983351	258.359	WDAVNPYLKBBBFW-CJNGLKHVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-083097
CC[C@]12C[C@@H]1CN(C(=O)c1cccc(N(C)C)c1)C2	ZINC22_1775983352	258.359	WDAVNPYLKBBBFW-CZUORRHYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-083098
CC[C@]12C[C@H]1CN(C(=O)c1cccc(N(C)C)c1)C2	ZINC22_1775983353	258.359	WDAVNPYLKBBBFW-XJKSGUPXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-083099
CC[C@]12C[C@@H]1CN(C(=O)Cc1cc(C)nc(C)c1)C2	ZINC22_1775979154	258.359	ZRBBABVGVVDBND-GDBMZVCRSA-N	00100010000000101000010000000000000000000000000000000000	22-01-083100
CC[C@]12C[C@H]1CN(C(=O)Cc1cc(C)nc(C)c1)C2	ZINC22_1775979157	258.359	ZRBBABVGVVDBND-GOEBONIOSA-N	00100010000000101000010000000000000000000000000000000000	22-01-083101
CC[C@@]12C[C@H]1CN(C(=O)Cc1cc(C)nc(C)c1)C2	ZINC22_1775979159	258.359	ZRBBABVGVVDBND-HOCLYGCPSA-N	00100010000000101000010000000000000000000000000000000000	22-01-083102
CC[C@@]12C[C@@H]1CN(C(=O)Cc1cc(C)nc(C)c1)C2	ZINC22_1775979160	258.359	ZRBBABVGVVDBND-ZBFHGGJFSA-N	00100010000000101000010000000000000000000000000000000000	22-01-083103
CCc1ccc(cc1)CN(C(=O)[C@@H]1C[C@@H]2[C@H](N1)C2)C	EMOLS-id_318368466	258.359	QOPMOKCYXCQEDL-KFWWJZLASA-N	00100010000000110000010000000000000000000000000000000000	22-01-083104
CCc1cnccc1CNC(=O)C1C2C1CCCC2	MCULE-8508286440,EMOLS-id_48326396,PC-id_75448852	258.359	RGZIQQWLIOAGBL-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-083105
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CCc1cnccc1CNC(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_97260733	258.359	RGZIQQWLIOAGBL-YIONKMFJSA-N	00100000000010101000010000000000000000000000000000000000	22-01-083108
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CC(Cc1ccccn1)NC(=O)C1C2C1CCCC2	MCULE-6812003007,ART-20119553,PC-id_110226340	258.359	ONRVIZWZZURSIN-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-083110
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CC(C(=O)N1C(CC2C1C2)C#N)C1(CCCC1)C=C	PC-id_89528655	258.359	LTLFRPCXJCRWQM-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-083113
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CNC(=O)c1ccc(CN[C@@]23CCCC[C@H]2C3)cc1	ZINC22_631226069	258.359	LLEUAVPEYUYCMH-GOEBONIOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-083132
CNC(=O)c1ccc(CN[C@]23CCCC[C@H]2C3)cc1	ZINC22_631226071	258.359	LLEUAVPEYUYCMH-HOCLYGCPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-083133
CNC(=O)c1ccc(CN[C@]23CCCC[C@@H]2C3)cc1	ZINC22_631226077	258.359	LLEUAVPEYUYCMH-ZBFHGGJFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-083134
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c1ccc(COC(=O)N2C[C@H]3C[C@@]3(C(=O)O)C2)cc1	ZINC22_253185206,EMOLS-id_320459031,MCULE-5226089772	261.273	PFDGXQWRURTLMD-BXUZGUMPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-085274
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C1(C(=O)Oc2ccc(cc2)N(=O)=O)C2C1CCCC2	MCULE-6995791548,TIMTEC101715,BAS-00190458,EMOLS-id_1172620,PC-id_579216	261.273	CLCUOMFYLGWDBT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-085278
[C@@H]12[C@@H]([C@@H]1C(=O)O)CN(C(=O)OCc1ccccc1)C2	SCHEMBL524450,ZINC22_114021052,MCULE-7865328894,EMOLS-id_50367008	261.273	ICSLZBSYUJAPNS-ZSBIGDGJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-085279
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)Cc1ccc(cc1)C(=O)O	EMOLS-id_49900895,ZINC22_223946582,MCULE-8442404059	261.273	SROBIIWRBUQGDC-GDNZZTSVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-085280
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C(c1ccccc1)C(=O)O	MCULE-7366009397,EMOLS-id_177374328	261.273	ZNCYPZIHQADKAX-QTSNWZHOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-085281
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C(=O)[C@H](O)c1ccccc1	ZINC22_217174286,MCULE-3125185000,EMOLS-id_50534183	261.273	PSJFTILHNGGMAR-NOOOWODRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-085282
COc1cccc(c1)CN1CC2C(C1=O)C2C(=O)O	PC-id_115009635	261.273	UNUYEKPURZIZCV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-085283
COc1ccccc1CN1CC2C(C1=O)C2C(=O)O	PC-id_115009663	261.273	YJOACIBNUKPCDS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-085284
COc1ccc(cc1)CN1CC2C(C1=O)C2C(=O)O	PC-id_115009691	261.273	MQAOQENOIBXICV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-085285
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COc1cccc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)O)c1	PC-id_11877943,ZINC22_4110292	261.273	QACJHRLGLSVZIU-ZMLRMANQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-085287
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COc1cccc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)O)c1	ZINC22_248141517	261.273	QACJHRLGLSVZIU-DLOVCJGASA-N	00100010000000110000010000000000000000000000000000000000	22-01-085289
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OC(=O)C1C2C1CCC2(Cc1cccnc1)C(=O)O	PC-id_9903329	261.273	YPYOLLKVDHQGFD-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-085339
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OC(=O)C1(CC2C(C2)C1)Cc1c([N+](=O)[O-])cccc1	PC-id_80467874	261.273	AUWVXFSSHZFGRQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-085345
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C[C@@H]1C[C@@]2(C)O[C@H]2CN1C(=O)OCc1ccccc1	ZINC22_242648795	261.316	RIRWBDVJTPSYDY-OSAQELSMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-085450
C[C@@H]1C[C@@]2(C)O[C@@H]2CN1C(=O)OCc1ccccc1	ZINC22_242648796	261.316	RIRWBDVJTPSYDY-UXIGCNINSA-N	00100000000010110000010000000000000000000000000000000000	22-01-085451
C[C@@H]1C[C@]2(C)O[C@H]2CN1C(=O)OCc1ccccc1	ZINC22_242648797	261.316	RIRWBDVJTPSYDY-ZLDLUXBVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-085452
C[C@@H]1CC[C@@H]2C(CN1C(=O)OCc1ccccc1)O2	SCHEMBL6225178	261.316	DGEXKPJDVGYJKO-AYBZEELNSA-N	00100000000000110100010000000000000000000000000000000000	22-01-085453
C[C@@H]1CC[C@H]2C(CN1C(=O)OCc1ccccc1)O2	SCHEMBL6226716	261.316	DGEXKPJDVGYJKO-LXKBMQFRSA-N	00100000000000110100010000000000000000000000000000000000	22-01-085454
C[C@@H]1CC[C@@H]2[C@H](CN1C(=O)OCc1ccccc1)O2	PC-id_11623073,SCHEMBL4315794	261.316	DGEXKPJDVGYJKO-BNOWGMLFSA-N	00100000000000110100010000000000000000000000000000000000	22-01-085455
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C[C@@H]1CC[C@H]2[C@H](CN1C(=O)OCc1ccccc1)O2	SCHEMBL4321781	261.316	DGEXKPJDVGYJKO-XBFCOCLRSA-N	00100000000000110100010000000000000000000000000000000000	22-01-085457
C[C@@H]1C[C@@H]2O[C@@H]2[C@@H](C)N1C(=O)OCc1ccccc1	ZINC22_252493098	261.316	MZHAAAUPACQECJ-MHDGFBEUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-085458
C[C@@H]1C[C@@H]2O[C@H]2[C@@H](C)N1C(=O)OCc1ccccc1	ZINC22_252493099	261.316	MZHAAAUPACQECJ-RFHZTLPTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-085459
C[C@H]1[C@H]2O[C@H]2C[C@@H](C)N1C(=O)OCc1ccccc1	ZINC22_252493100	261.316	MZHAAAUPACQECJ-UVLXDEKHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-085460
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CCC(C(=O)O)NC(=O)CC1=CC(=C2CC2=C1O)O	PC-id_154420343	265.095	GFLJTERUUNCIJX-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-088380
CCOC(=O)C12COC(C1(C2)Br)(C)O	PC-id_102323099	265.101	CSWKXVJPBQXJIS-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-088381
CC(=O)OCC12COC(C1(C2)Br)(C)O	PC-id_102323098	265.101	BMBZKTHPFOSUBJ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-088382
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CC(C)(C)OC(=O)N1CCOC2(C1C2(F)F)CO	PC-id_154577086,MCULE-4898136621,EMOLS-id_324092718	265.113	JRIWQEMJPSRRPD-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-088384
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ClCCCC[C@]12CCC[C@]1(C2)OC(=O)CCl	PC-id_102124049	265.176	YZLURZOVQVQPFO-VXGBXAGGSA-N	00100010000010000000010000000000000000000000000000000000	22-01-088409
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ClC(C1C2C1CCC2)c1c(OC)ccc(OC)c1	PC-id_81643392	266.763	NHLYZQKSEBNBKG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090248
ClC(C1C2C1CCC2)c1c(OC)cc(OC)cc1	PC-id_81644512	266.763	ZYVMGXMWMPHOMF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090249
ClC(C1CC2C(C2)C1)c1cc(OC)c(OC)cc1	PC-id_80470313	266.763	IQPGKIPCKCYREP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090250
ClC(C1CC2C(C2)C1)c1c(OC)ccc(OC)c1	PC-id_80470443	266.763	KSUBIGGUNPZTCU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090251
ClC(C1CC2C(C2)C1)c1c(OC)cc(OC)cc1	PC-id_80470805	266.763	NWPKQBHMXXHVKQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090252
ClC(C1OC(C(=C)C2OC2C1)CC)CC=CC#C	PC-id_72739454	266.763	XLMGMWUVMJRUAJ-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-090253
ClC([C@H]1O[C@@H](C(=C)[C@H]2O[C@H]2C1)CC)CC=CC#C	PC-id_14803855	266.763	XLMGMWUVMJRUAJ-KIAMUWECSA-N	00100000000000000100010000000000000000000000000000000000	22-01-090254
COc1ccc(cc1C(C1C2C1CCCC2)O)Cl	PC-id_104546250	266.763	QLASCISRNZQHMY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-090255
COc1ccc(cc1CC(C1C2C1CCC2)O)Cl	PC-id_115788637	266.763	HPPMLNLUKGLONK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090256
COc1ccc(cc1CC(C1CC2C(C1)C2)O)Cl	PC-id_113659807	266.763	AOQLEYWKTDUKLW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090257
COc1cc(ccc1Cl)C(C1C2C1CCCC2)O	PC-id_115818099	266.763	TWCDOHMLMNVOAJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-090258
OC[C@]12O[C@@]2(CCC1(C)C)Cc1ccc(cc1)Cl	SCHEMBL15183939	266.763	QVRDXRJTPAEJCY-GJZGRUSLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090259
CCc1nn(c(c1Cl)CC(=O)C1C2C1CCC2)C	PC-id_114980555	266.766	WKWUSQDRVLUWDW-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-090260
CCc1nn(c(c1Cl)CC(=O)C1CC2C(C1)C2)C	PC-id_114980434	266.766	KAEWHOPOHXSUBI-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-090261
CCCn1ncc(c1C(=O)C1C2C1CCCC2)Cl	PC-id_115805653	266.766	JOGAIKBQWPOABV-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-090262
CCn1nc(c(c1CC(=O)C1C2C1CCC2)Cl)C	PC-id_114980688	266.766	WLDNTNNZVIJHPF-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-090263
CCn1nc(c(c1CC(=O)C1CC2C(C1)C2)Cl)C	PC-id_113658297	266.766	ZVOZATXAUYJHHY-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-090264
CC(n1ncc(c1C(=O)C1C2C1CCCC2)Cl)C	PC-id_115804994	266.766	MMYGZVYEMHYHCQ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-090265
NNC(C1C2C1CCC2)c1ccc(c(c1)OC)Cl	PC-id_105320826	266.766	DCSYFGYWNXWEKP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090267
NNC(c1ccc(c(c1)OC)Cl)C1CC2C(C1)C2	PC-id_105320758	266.766	ZGEQJTNSVYQRSD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090268
NNC(c1cc(Cl)ccc1OC)C1C2C1CCC2	PC-id_105300917	266.766	OMKWQFMCAIKXCM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090269
NNC(c1cc(Cl)ccc1OC)C1CC2C(C1)C2	PC-id_105300854	266.766	LJSMWDKUUOXIRB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090270
O=C(C1C2C1CCCC2)Cc1c(C)nn(c1Cl)C	PC-id_115799629	266.766	WLHBTGCYQGVDBN-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-090271
O=C(C1C2C1CCCC2)Cc1n(C)nc(c1Cl)C	PC-id_114979207	266.766	DZNKPWRZYCGXIB-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-090272
ClC(C1C2C1CCCC2)c1cc(c(F)c(c1)C)C	PC-id_81638579	266.781	NJYJGBKPJQIVCY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-090273
ClC(c1c(C)cc(cc1C)F)C1C2C1CCCC2	PC-id_113888454	266.781	TWEHTUCJSHWNSZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-090274
N1(CC2CC2C1)C(=S)Nc1ccc(cc1C)Cl	EMOLS-id_186908816,MCULE-1111086160,PC-id_108490927	266.79	IJQNGOTUFLJWQK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090275
ClCC1(CC2C(C2)C1)Cc1nn(cc1)C(CC)C	PC-id_80472885	266.81	NGWFUROFHDXVCN-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-090276
ClCC1(CC2C(C2)C1)Cc1n(nc(c1)CC)CC	PC-id_80473203	266.81	LKGCYAYBKJZJOP-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-090277
ClCC1(CC2C(C2)C1)CCSc1ccccc1	PC-id_80472915	266.829	UDTIBTMTMSKWLB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090278
CC1CC2C([I-]2)C(=O)C1CO	PC-id_164162170	266.989	IBKVEMKHZFBSLN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090279
C1C(CC2C1C2(F)F)NC(=O)CCBr	MCULE-8846828783,PC-id_164654785	267.007	XDTCBBWWXITLPM-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-090280
CC(C(=O)NC1CC2C(C1)C2(F)F)Br	PC-id_164654784,MCULE-2197808945	267.007	FBAPTAXMIQKAOF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-090281
C1CN[C@@H]2CC2(NC1CI)N	PC-id_164151830	267.023	ZFIKJFYLLIXPKN-YURFNIAASA-N	00100000000000000101010000000000000000000000000000000000	22-01-090282
C1CC(CC2C1C2)NC3=NC=NC=C3Br	MCULE-4949369082,PC-id_164648267	267.037	HRUONHAWHDEOKV-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-090283
CN(C)O[P+]1(C2=C1C=C(C=C2)OC(F)(F)F)N	PC-id_155258769	267.05	KHADAACSCPOTLC-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-090284
COC(=O)C1N(I)CC2C1C2	PC-id_143881254	267.064	LTWIHHBMVOKILB-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-090285
OC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)I	PC-id_145526373	267.064	BVXOQAFXAYMQOL-HSUXUTPPSA-N	00100010000000000000010000000000000000000000000000000000	22-01-090286
CN(CC1=CN=CS1)C(=O)NC23CC2COC3=O	PC-id_163603896	267.068	HACGCLCGJRASTC-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-090287
C1[C@@H]2C1C(C(=C2C(=N)C(F)F)[NH2+]CC(=O)O)(F)F	PC-id_154664798	267.075	CMSDEMZIIMLSJS-SYPWQXSBSA-O	00100011000000000000010000000000000000000000000000000000	22-01-090288
OB(c1ccc(cc1F)OCC12SC=NC1C2)O	PC-id_143678726	267.084	AUWPHRIUBAWZAQ-UHFFFAOYSA-N	00100011000000110001010000000000000000000000000000000000	22-01-090289
COC1=CC(=C(C=C1)C(=O)C(=C2C3=CC=CC=C32)O)N	PC-id_153379060	267.09	QWDQKYXGONBGEX-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-090290
CC[C@H]1OC([C@@]2([C@]1(F)C2)OC(=O)C)Br	PC-id_118909951,SCHEMBL17549858	267.092	WOZFTGQOSGSZPY-FAZFRDGJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-090291
CC1=CC=C(C=C1)S(=O)(=O)N2CCCC3C2C3O	PC-id_147050032	267.093	BBCSUZXKFQTVPM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-090292
C/C=C(/[C@@]12O[C@@]2(Cl)[C@@H](C=C([C@H]1O)OC)O)Cl	UNPD26121	267.106	CLAFUBPFUBWURK-QNZCPYDISA-N	00100000000011000000010000000000000000000000000000000000	22-01-090293
ClC12OC1(C(O)C(=CC2O)OC)/C(=C/C)/Cl	PC-id_10468164	267.106	CLAFUBPFUBWURK-UTCJRWHESA-N	00100000000011000000010000000000000000000000000000000000	22-01-090294
Cl/C(=CC)/C12OC1(Cl)C(O)C=C(OC)C2O	CNP0215372,PC-id_85151660	267.106	CLAFUBPFUBWURK-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-090295
CN1CC2C(C1)C2C[N-]CC3=CC(=C(C=C3)F)Cl	PC-id_154484556	267.107	YJLGAYGNCBZAOY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090296
ICCN1CC2C(C1)(C2)CO	EMOLS-id_96294952	267.107	GZBIJTXXFHDSKR-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-090297
ICCN1C[C@@H]2[C@H](C1)[C@H]2CO	EMOLS-id_96341484	267.107	YSOFUUGYPLLFIR-JIGDXULJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-090298
CCOC(=O)C1=C[C@H]2[C@H](N2C(=O)C)[C@@H](C1)OC(=O)C	PC-id_149163201	267.111	OIJHFKXEBVCHHH-JACPFSORSA-N	00100000000011000000010000000000000000000000000000000000	22-01-090299
Brc1ccc(cc1)C(=O)C12COCC1C2	MCULE-6642628840	267.119	DSWTTWVLUOTHKT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090300
Brc1cccc(c1)C(=O)C12COCC1C2	MCULE-9620492675	267.119	QBTWMYBIZKMUCF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090301
Brc1cccc(c1)C(=O)C1C2C1COC2	MCULE-3018263595	267.119	BZRZMNXYIAYMRW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090302
C1CC2C(O2)CC1CC3(CCC4C(C3)O4)C(=O)O[O-]	PC-id_153795755	267.124	ZPSKTODKJAEBDK-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-090303
C1CC2C(O2)CC1C(C3CCC4C(C3)O4)OC(=O)[O-]	PC-id_154048599	267.124	IVKSGFAWZLHWRH-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-090304
C1CC2C(O2)CC1CC3(CCC4C(C3)O4)OC(=O)[O-]	PC-id_154074292	267.124	LCOUKJKXNHOWPO-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-090305
CCCN(C1=C2C(=C(C=C1)C)O2)C3=C4C(=C(C=C3)C)O4	PC-id_153854952	267.126	XLKTWRLJGWCTOX-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-090306
ClC1(Cl)C2(C1CC(=O)C2(C(OC)OC)C)C	PC-id_12654485	267.149	ADRFVUFKZHPUTL-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-090307
ClC1(Cl)[C@]2(C1CC(=O)[C@@]2(C(OC)OC)C)C	PC-id_21634120	267.149	ADRFVUFKZHPUTL-IEGJGFPOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-090308
Brc1cc(CC2(O)C3C2CCC3)ccc1	PC-id_79331771	267.162	ORUXTSPFPGQKDJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090309
Brc1ccccc1OCC1CC2C(C1)C2	MCULE-2996800497	267.162	IYFMDWXDKUYBJS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090310
Brc1ccc(cc1)OCC1CC2C(C1)C2	MCULE-4500758240	267.162	FSKPCPYQXQPSPK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090311
Brc1cccc(c1)OCC1CC2C(C1)C2	MCULE-9575290208	267.162	WSGJBOADHIEHRQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090312
Brc1ccc(CC2(O)C3C2CCC3)cc1	PC-id_79330943	267.162	WZIAIUVPNOCEFJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090313
Brc1ccc(C(O)C2C3C2CCC3)cc1	PC-id_81644291	267.162	JRDBJHQYMXUIGP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090314
Brc1ccc(C(O)C2CC3C(C3)C2)cc1	PC-id_80470515	267.162	FYTCVYBSMVSCKO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090315
BrC(C12COCC1C2)Cc1ccccc1	MCULE-2332605114	267.162	FAQSKKIFCGFNSN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090316
C1C2C(C2CC3C=CC=CC3(C4=CC=CC=C4)O)CN1	PC-id_160047370	267.162	ZLGVKCKYEOTJEO-UHFFFAOYSA-N	00100010000011110000110000000000000000000000000000000000	22-01-090317
Cc1ccc(cc1)C(C12COCC1C2)Br	MCULE-7221942397	267.162	LRMXHFDPOCRELV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090318
Brc1c(CC2NCC3C2C3N)cccc1	PC-id_82379635	267.165	JXABXDXRLZLXEP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090319
Brc1cc(CC2NCC3C2C3N)ccc1	PC-id_82379649	267.165	BZGSRXZSVZWGPM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090320
Brc1ccc(CC2NCC3C2C3N)cc1	PC-id_82379650	267.165	ILPSOUCJBLLNHP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090321
Brc1cccc(n1)CN1CCC2C(C1)C2	MCULE-6262538491	267.165	KZNZOQDVKBHVJR-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090322
Brc1cccc(n1)NC12CCCCC1C2	MCULE-8568061697	267.165	VFLXOHUSTSYHAF-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090323
Brc1cccc(n1)NC1CCC2C(C1)C2	MCULE-7578474678	267.165	BLYZHQLYOZLQDF-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090324
Brc1cccc(n1)NC1CCCC2C1C2	MCULE-6020276131	267.165	WAGQECLPJPEYGN-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090325
Brc1cccc(n1)NCC12CCCC1C2	MCULE-4352910711	267.165	POTDFKTXCAPPOK-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090326
Brc1cccc(n1)NCC1CC2C(C1)C2	MCULE-4081082834	267.165	UFURRDDAUUEPPO-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090327
Brc1ccc(CNC2C3C2CNC3)cc1	PC-id_75306622	267.165	GKBJQOAYCXTSHL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090328
Brc1ccc(CNC2[C@H]3[C@@H]2CNC3)cc1	PC-id_49855983	267.165	GKBJQOAYCXTSHL-FOSCPWQOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090329
Brc1ccc(nc1)CCN1CC2C(C1)C2	MCULE-6616958908	267.165	FXFXUZASKLRKID-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-090330
Brc1cccnc1CN1CCC2C(C1)C2	MCULE-1499492123	267.165	DFXQVIDXTWXUES-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090331
Brc1ccc(nc1)CN1CCC2C(C1)C2	MCULE-8403343646	267.165	GPELKTHVRALODZ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090332
Brc1ccc(nc1C)NC12CCCC1C2	MCULE-5454467339	267.165	IWHLWXZEBRNTDV-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090333
Brc1ccc(nc1)NC12CCCCC1C2	MCULE-1245670988	267.165	NFSXOLYDZLALIY-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090334
Brc1cccnc1NC12CCCCC1C2	MCULE-4182178321	267.165	XKOBCBSFVMQBKR-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090335
Brc1cccnc1NC1CCC2C(C1)C2	MCULE-4380984268	267.165	KPYPZWAZBOSEAN-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090336
Brc1cccnc1NC1CCCC2C1C2	MCULE-3299120436	267.165	HUNAAORYRMDXFO-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090337
Brc1ccc(nc1)NC1CCCC2C1C2	MCULE-7493249887	267.165	HPGZJGJVSSCALQ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090338
Brc1ccc(nc1)NCC12CCCC1C2	MCULE-2581118767	267.165	ZHYUJOUDSFDRHJ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090339
Brc1cccnc1NCC12CCCC1C2	MCULE-6238280959	267.165	OUIKORCCIFMOND-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090340
Brc1cccnc1NCC1CC2C(C1)C2	MCULE-2218746226	267.165	HQSDHXLXPZKEPP-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090341
Brc1ccc(nc1)NCC1CC2C(C1)C2	MCULE-2380710807	267.165	WAEKATQUHRGYFB-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090342
Brc1c(CN2CC3C(C3N)C2)cccc1	PC-id_82379633	267.165	BCHKNKMMBVIKGT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090343
Brc1cncc(c1)CN1CCC2C(C1)C2	MCULE-4155491521	267.165	SXTFWOFFSUZBKK-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090344
Brc1cnc(c(c1)C)NC12CCCC1C2	MCULE-2259998284	267.165	DOCMNBPMCVDBNS-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090345
Brc1cnc(cc1C)NC12CCCC1C2	MCULE-9197799153	267.165	RFLTYSRCWUXTEP-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090346
Brc1cnccc1NC12CCCCC1C2	MCULE-1375568441	267.165	KSWUZJNPNHLMMV-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090347
Brc1cncc(c1)NC12CCCCC1C2	MCULE-6616606285	267.165	DSOGNTMQXBSNEK-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090348
Brc1cncc(c1)NC1C2C1CCCC2	EMOLS-id_107357112	267.165	HHPMNCDHGYVKMV-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090349
Brc1cncc(c1)NC1CCC2C(C1)C2	MCULE-4133499313	267.165	BKIAUWAXMBMKEC-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090350
Brc1cnccc1NC1CCC2C(C1)C2	MCULE-5605528862	267.165	YURHFSHXZGGFFZ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090351
Brc1cnccc1NC1CCCC2C1C2	MCULE-3505574436	267.165	ATTSHHQUUDHZFU-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-090352
Brc1cncc(c1)NCC12CCCC1C2	MCULE-4237298976	267.165	GWEGWCXFLMXPKH-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090353
Brc1cnccc1NCC12CCCC1C2	MCULE-8516330412	267.165	VZXMXUXXVKHEGC-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090354
Brc1cncc(c1)NCC1CC2C(C1)C2	MCULE-6347393672	267.165	LEAPGQZOXORBLC-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090355
Brc1cnccc1NCC1CC2C(C1)C2	MCULE-8170440808	267.165	JSWRPVWQUNOIMF-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090356
Brc1cncc(CN[C@@]23CCC[C@@H]2C3)c1	ZINC22_657549636,EMOLS-id_316969597,PC-id_136585278	267.165	FCTDEIAHOWYHNB-ZYHUDNBSSA-N	00100010000010101000010000000000000000000000000000000000	22-01-090357
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BrC1(Br)C2C1CCCC2C	PC-id_13493245,TIMTEC118090	267.989	DDLGYTAQJREHKY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090947
BrC1(Br)C2(C1CCCC2)C	PC-id_14923729	267.989	SSYKXMLGEJVJQA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090948
BrC1(Br)C2C1CCCCC2	SCHEMBL375842,PC-id_12759788	267.989	MILKPYBKTSZFBT-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-090949
BrC1(Br)[C@@]2([C@H]1CCCC2)C	PC-id_10967494	267.989	SSYKXMLGEJVJQA-RQJHMYQMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090950
BrC1(Br)[C@@H]2[C@H]1CCCCC2	PC-id_11032856	267.989	MILKPYBKTSZFBT-KNVOCYPGSA-N	00100000000000000100010000000000000000000000000000000000	22-01-090951
BrC1CCCC2C(C1Br)C2	SCHEMBL15876387,PC-id_90282238	267.989	KIIPSQVPXLXDJP-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-090952
BrC1CCCCC2C1(Br)C2	SCHEMBL15876386,PC-id_90282237	267.989	YZHSFGUZOQHWKJ-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-090953
BrC(Br)C1C2C(C2)CCC1	PC-id_74080602	267.989	DQWNYJJRVWGKBH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090954
BrC(Br)[C@H]1[C@@H]2[C@H](C2)CCC1	PC-id_23655578	267.989	DQWNYJJRVWGKBH-XVMARJQXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090955
BrC([C@@H]1CCC[C@H]2[C@@H]1C2)Br	PC-id_101447232	267.989	DQWNYJJRVWGKBH-QYNIQEEDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090956
CC1CCC2C(C1)C2(Br)Br	PC-id_117069467	267.989	ZKKZGKGYJKYXDZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090957
C[C@@H]1CCC[C@H]2[C@@H]1C2(Br)Br	PC-id_95564776	267.989	DDLGYTAQJREHKY-DSYKOEDSSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090958
C[C@H]1CCC[C@H]2[C@@H]1C2(Br)Br	PC-id_95564777	267.989	DDLGYTAQJREHKY-LYFYHCNISA-N	00100000000010000000010000000000000000000000000000000000	22-01-090959
C[C@@H]1CCC[C@@H]2[C@H]1C2(Br)Br	PC-id_95565711	267.989	DDLGYTAQJREHKY-QYNIQEEDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090960
C[C@@H]1CCC[C@@H]2[C@@H]1C2(Br)Br	PC-id_98162574	267.989	DDLGYTAQJREHKY-FSDSQADBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090961
C[C@H]1CCC[C@@H]2[C@@H]1C2(Br)Br	PC-id_98162575	267.989	DDLGYTAQJREHKY-RRKCRQDMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090962
C[C@@H]1CC[C@H]2[C@@H](C1)C2(Br)Br	PC-id_95564929	267.989	ZKKZGKGYJKYXDZ-DSYKOEDSSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090963
C[C@@H]1CC[C@@H]2[C@@H](C1)C2(Br)Br	PC-id_98163888	267.989	ZKKZGKGYJKYXDZ-FSDSQADBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090964
C1C=C=CC(=C=CC(=C2C1(C2)Cl)CC(=O)O)Cl	PC-id_154092530	268.006	CWTGIPXLCDJGCI-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-090965
C1C2C(C2C(CO)N)CN1I	PC-id_154650869	268.007	SMSGMEPUHOWVHU-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-090966
C1C(CC2C1C2)CC(=O)C3=CC=C(O3)Br	MCULE-2620666723,PC-id_164649691	268.01	IRFJPCSMLLXURB-UHFFFAOYSA-N	00100010101010000000010000000000000000000000000000000000	22-01-090967
C1C(CC2C1C2)CC(=O)C3=C(OC=C3)Br	MCULE-8725634794,PC-id_164649690	268.01	MGMZYTDATUNHFY-UHFFFAOYSA-N	00100010101010000000010000000000000000000000000000000000	22-01-090968
C1CC[C@H]2[C@H](O2)NC[I-]CC1	PC-id_164073276	268.02	PEZIUITWGXSUMZ-YUMQZZPRSA-N	00100000000000000101010000000000000000000000000000000000	22-01-090969
C1=C(C(=CC2([C@H]1C2C(=O)O)C(=O)O)C(=O)O)C(=O)O	PC-id_164125371	268.022	YJDAPGNPNMWQNP-JMPDXQTKSA-N	00100000000011000000010000000000000000000000000000000000	22-01-090970
C1CC(C2C1C2C(=O)[O-])C(=O)OSC3=NC=NN3	PC-id_153913406	268.04	YOGXDYLDFRYXFN-UHFFFAOYSA-M	00100010100010000001010000000000000000000000000000000000	22-01-090971
C(CS)O[C@@H]1C(C2C(C2(C(O1)CS)O)O)O	PC-id_163969261	268.044	SOOIWAXFGHERFT-HOBVRZSMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090972
COC(=O)C1[C@H]2[C@@H]1CN(C2)SC3=CN=C(C=C3)F	PC-id_153573569	268.068	GZWMNEQWZMMGLF-SLHIUPAKSA-N	00100010000000101000010000000000000000000000000000000000	22-01-090973
ClN(c1ccc(c2c1S2(=O)=O)C(=O)O)Cl	SCHEMBL10382545,PC-id_54222454	268.074	QDNVWQFTEJXUKZ-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-090974
CC(=C)C(=O)OCCOC(=O)C1[C@H]2C1(CC=C2)S	PC-id_163667601	268.077	IZVMIINBICFIGI-JBLZRFIASA-N	00100011000000000000010000000000000000000000000000000000	22-01-090975
C1C2C1C(NC2)C(=O)NCC3=C(C(=CC=C3)Cl)F	PC-id_153306901	268.078	ZHAOZIQKNFKGGR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090976
C1[C@H]2[C@@H]1[C@H](NC2)C(=O)NCC3=C(C(=CC=C3)Cl)F	PC-id_152648397	268.078	ZHAOZIQKNFKGGR-LNLATYFQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-090977
C1C(CC2(C1C2C(=O)O)F)OCC3=CC=C(C=C3)F	PC-id_153277952	268.091	MSUCJDFAMBDACO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090978
ICC1OCC2OC2CCC1	PC-id_73121407	268.092	MAWSYEUPWMPBMA-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-090979
ICC1OC[C@@H]2O[C@@H]2CCC1	PC-id_11832383	268.092	MAWSYEUPWMPBMA-VVXQKDJTSA-N	00100000000000000100010000000000000000000000000000000000	22-01-090980
c1ccc(cc1)CO[C@]12C(O1)C([C@@H](C(O2)CO)O)O	PC-id_163647587	268.095	IJOKVFFPDGXQME-XUJBLEAGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-090981
BrCCNC(=O)C1CC2C(C1)C2(F)F	MCULE-2445215258	268.098	XXAFGWMTBKQVKY-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-090982
BrCC(=O)NCC1CC2C(C1)C2(F)F	MCULE-3667152598	268.098	LWHIXMYUHLJNFU-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-090983
C1CN(C2C(C2(F)F)N1)C(=O)OCC3=CC=CC=C3	PC-id_165430958,EMOLS-id_331218866	268.102	QNNSWCJOWRDVKR-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-090984
COC1=CC(=CC2C1C2)C(=O)C(=C)c1ccc(cc1)O	PC-id_163753811	268.11	HNZASFZAMHDWLL-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-090985
[I-](OC1C2C(N(CC1)C)C2)C	PC-id_72246430	268.115	HBMZRPGNKGYLGD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090986
[I-](OC1CC2C(N(C1)C)C2)C	PC-id_72246433	268.115	MQNYZBVKFPNPRA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090987
[I-](OC1C[C@@H]2[C@H](N(C1)C)C2)C	PC-id_59286094	268.115	MQNYZBVKFPNPRA-YPVSKDHRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090988
[I-](OC1[C@@H]2[C@H](N(CC1)C)C2)C	PC-id_59286089	268.115	HBMZRPGNKGYLGD-KJFJCRTCSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090989
CN(C(=O)CCC(=O)O)C12CC1CN(C2=O)C(=N)N	PC-id_148260949	268.117	KRPVWUQJKNYXLV-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-090990
CC(C)(C)OC(=O)N1C=CC(=N1)OCC23CC2(C3)F	PC-id_155187854	268.122	LGAVLYAWTYTJQQ-UHFFFAOYSA-N	00101000100000000001010000000000000000000000000000000000	22-01-090991
COC1=CC=C(C=C1)COCC2CC3CC3(C2F)F	PC-id_154315673	268.127	BYZMBLKKPFUWGQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-090992
C1CC2C(O2)CC1CC3(CCC4C(C3)O4)C(=O)OO	PC-id_153795756	268.131	ZPSKTODKJAEBDK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090993
C1CC2C(O2)CC1CC3(CCC4C(C3)O4)OC(=O)O	PC-id_154074293	268.131	LCOUKJKXNHOWPO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-090994
C1CC(C2C1O2)OCC3C(O3)COC4CCC5C4O5	PC-id_154106793	268.131	ZOXSOQDBLVXUPT-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-090995
CC(C)(C)OC(=O)N1CCOC2C1C2(Cl)Cl	MCULE-2927708836,EMOLS-id_259573417	268.137	JLWRJJDYEVBMPJ-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-090996
CC(C)(C)OC(=O)N1CCO[C@H]2[C@H]1C2(Cl)Cl	ZINC22_725343615	268.137	JLWRJJDYEVBMPJ-BQBZGAKWSA-N	00100000000010000001010000000000000000000000000000000000	22-01-090997
CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H]1C2(Cl)Cl	ZINC22_725343616	268.137	JLWRJJDYEVBMPJ-NKWVEPMBSA-N	00100000000010000001010000000000000000000000000000000000	22-01-090998
CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H]1C2(Cl)Cl	ZINC22_725343617	268.137	JLWRJJDYEVBMPJ-RNFRBKRXSA-N	00100000000010000001010000000000000000000000000000000000	22-01-090999
CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1C2(Cl)Cl	ZINC22_725343618	268.137	JLWRJJDYEVBMPJ-RQJHMYQMSA-N	00100000000010000001010000000000000000000000000000000000	22-01-091000
ClC1(Cl)C2C1CN(C2O)C(=O)OC(C)(C)C	SCHEMBL4304666,PC-id_68995025	268.137	ZFSAJPRIUZYALF-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-091001
C[C@@]/1(CC(C2CC2CCC/C=C1)(C)[N+](=O)[O-])[N+](=O)[O-]	PC-id_163856568	268.142	OYUPAXLQXGOVGK-AFUVTFNESA-N	00100000000000000110010000000000000000000000000000000000	22-01-091002
CC(C)(C)OC(=O)N[C@@]12C[C@@H]1C=CCN(C2)C(=O)O	PC-id_155145941	268.142	BGSFLMDIBOBBIJ-TVQRCGJNSA-N	00100000000000000110010000000000000000000000000000000000	22-01-091003
CCCOC1=C2C(=C(C=C1)C(CC)C3=CC=CC=C3)O2	PC-id_153840912	268.146	OYMZZLGKYNHZIA-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-091004
Brc1ccc(cn1)OCC1CC2C(C1)C2	MCULE-5879726741	268.15	HJXXQHQUAHVDMJ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-091005
Brc1cccn(c1=O)CC1CC2C(C1)C2	MCULE-4625698752	268.15	POUIGEOHRBPFBH-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-091006
Brc1ccc(OCC23C(C2)CNC3)cc1	PC-id_84738583	268.15	YPLAOHTYTOWRTE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091007
Brc1ccc(=O)n(c1)CC1CC2C(C1)C2	MCULE-8054450401	268.15	JTNAYLIRWWNLJI-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-091008
Brc1cc(OCC23C(C2)CNC3)ccc1	PC-id_84738584	268.15	GITPGVZUTCYOLT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091009
Brc1cc(OCC2C3C2CNC3)ccc1	PC-id_83825933	268.15	UKPHUJKVIMOJHT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091010
Brc1cncc(c1)OCC1CC2C(C1)C2	MCULE-6393922788	268.15	NPPOCQVOLVXOAS-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-091011
Brc1c(OCC23C(C2)CNC3)cccc1	PC-id_84738582	268.15	IWSNTVZLPXJQSS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091012
Brc1ncccc1OCC1CC2C(C1)C2	MCULE-2381851790	268.15	AXEROGXERYFNNM-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-091013
BrC(C12COCC1C2)Cc1ccccn1	MCULE-5653335644	268.15	USJJLRJYNSQWPZ-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-091014
BrC(C12COCC1C2)Cc1ccncc1	MCULE-2640209732	268.15	SDCLNAIUQIGXRX-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-091015
Brc1c(C)ccnc1NC1C2C1CNC2	PC-id_106876066	268.153	WYPDPDIIHLXHKQ-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-091016
Brc1cc(c(NC2C3C2CNC3)nc1)C	PC-id_79718010	268.153	ZHEAVVTVRHLTRJ-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-091017
Brc1ccc(NCC2C3C2CNC3)nc1	PC-id_83844690	268.153	IRILDUSTKJZKRN-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-091018
Brc1cc(nc(n1)C)NC12CCCC1C2	MCULE-5090667405	268.153	MXTKHWIFGBWVMC-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-091019
Brc1c(NCC2C3C2CNC3)nccc1	PC-id_83844688	268.153	VXUZOEXBVTVZML-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-091020
Brc1cnc(cn1)NC12CCCCC1C2	MCULE-2817637802	268.153	PGSYUSLEHUIEKW-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-091021
Brc1cnc(cn1)NC1CCC2C(C1)C2	MCULE-2041895665	268.153	JDTXHKKQENRCPW-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-091022
Brc1cnc(cn1)NC1CCCC2C1C2	MCULE-9869406313	268.153	DGNKXCOIOBGLPE-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-091023
Brc1cnc(cn1)NCC12CCCC1C2	MCULE-3212293232	268.153	MYDSKQQJQYJQMV-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-091024
Brc1cnc(nc1C)NC12CCCC1C2	MCULE-4133881528	268.153	GBCIRNNTVRRZCE-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-091025
Brc1cncnc1NC12CCCCC1C2	MCULE-3691455489	268.153	VXJRXOOJTRGCIU-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-091026
Brc1cnc(nc1)NC12CCCCC1C2	MCULE-9247956731	268.153	VDWFQTIZQBZNAI-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-091027
Brc1cnc(nc1)NC1CCC2C(C1)C2	MCULE-9335047889	268.153	AUBROCHFWREJKF-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-091028
Brc1cncnc1NC1CCCC2C1C2	MCULE-1998026822	268.153	MHCSIIPUDBWKLN-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-091029
Brc1cnc(nc1)NC1CCCC2C1C2	MCULE-4276136052	268.153	VNTCXXQXWOPQBQ-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-091030
Brc1cnc(nc1)NCC12CCCC1C2	MCULE-1306948225	268.153	VDFMXKZFHJOZEP-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-091031
Brc1cncnc1NCC12CCCC1C2	MCULE-7774592426	268.153	AGVIKKRPYNONKE-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-091032
Brc1cncnc1NCC1CC2C(C1)C2	MCULE-4031306529	268.153	NMUYYMQNXOQMJO-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-091033
Brc1cnc(nc1)NCC1CC2C(C1)C2	MCULE-4369130013	268.153	LSVFTSMKDLHJGS-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-091034
Brc1ncc(nc1)NCC1CC2C(C1)C2	MCULE-6347118908	268.153	PBLXLUBHOZZBTH-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-091035
Brc1ncnc(c1)NC12CCCCC1C2	MCULE-3878291940	268.153	VHBGUBGORMNCCD-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-091036
Brc1ncnc(c1)NC1CCC2C(C1)C2	MCULE-4139163921	268.153	HVOXPIMJIAFPHF-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-091037
Brc1ncnc(c1)NC1CCCC2C1C2	MCULE-6590258640	268.153	QGGRTCCJVMPKDX-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-091038
Brc1ncnc(c1)NCC12CCCC1C2	MCULE-7190925453	268.153	QTUXBDITBJCKDW-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-091039
Brc1ncnc(c1)NCC1CC2C(C1)C2	MCULE-9202294987	268.153	BBJYUFULWRXSSS-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-091040
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Cc1cnc(c(c1)Br)NC1C2C1CNC2	PC-id_105367264	268.153	INCVVHALFGSCBE-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-091042
Cc1ncc(c(n1)NC12CCCC1C2)Br	MCULE-8880926685	268.153	QHUPQRZQXSTPPE-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-091043
Cc1nc(NC2C3C2CNC3)ccc1Br	PC-id_108158348	268.153	HWWHVFBDKVFGGQ-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-091044
C1CC2C(S2)CC1CCI	PC-id_89197903,SCHEMBL13896933	268.158	RRPDMKMJLVWRDW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-091045
C1CCOCC2C(O2)CCCC(=O)CCCC(=O)C1	PC-id_154454141	268.167	AKJLVGDDGKKLGH-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-091046
CC1=C(C([C@]2([C@@]([C@]1(C)OC)(O2)C)C)(C)C)C(=O)OC	PC-id_149196717	268.167	XDWZBZBJJKLFSX-QLFBSQMISA-N	00100000000011000000010000000000000000000000000000000000	22-01-091047
CC1CCC(CC1O)C(=O)OCC1CCC2C(C1)O2	PC-id_164121528	268.167	YFYSKQGJMLGTSK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-091048
CC1CC[C@H]2[C@H](C1)C2C(C)C(=O)OCCOC(=O)C	PC-id_155238078	268.167	LJOSIJZIACKUQB-TZXJTUAFSA-N	00100000000010000000010000000000000000000000000000000000	22-01-091049
CC(COC1(CCC2C(C1)O2)O)C1CCC2C(C1)O2	PC-id_163895738	268.167	QFLGIXXXXVRHAQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-091050
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BrC1C2C1(C)CCN(C2)S(=O)(=O)C	EMOLS-id_96735401	268.171	HVKMBCREYRQQLO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-091052
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CC1CC2C(O2)CC1COC(=O)CCCCC(=O)[O-]	PC-id_152764399	269.139	UPMZXBCYMCZOIG-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-091931
CC1CCC2C(C1COC(=O)CCCCC(=O)[O-])O2	PC-id_154050143	269.139	JIRSPRISVBOKLX-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-091932
CC1CC(CC2C1O2)COC(=O)CCCCC(=O)[O-]	PC-id_153824541	269.139	HQXPBPHNAFKPBY-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-091933
CCCCCCOC(=O)C1CC2C(O2)CC1C(=O)[O-]	PC-id_154293729	269.139	AVZFZEBXUPODRR-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-091934
CCCC(CC)OC(=O)C1CC2C(O2)CC1C(=O)[O-]	PC-id_154322523	269.139	VZIYDMBRZSQWCM-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-091935
Brc1c(NCC2C3C2CNC3)ncnc1	PC-id_83844771	269.141	LDHGYVSYEXPDOJ-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-091936
Brc1cnc(nc1)NCC1CC2C(N1)C2	SCHEMBL1572286,PC-id_67081464	269.141	GCQHLANUVUWGFM-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-091937
Brc1cnc(nc1)NCC1NCC2C1C2	SCHEMBL1340386,PC-id_57489334	269.141	VFSTZSMACLUORH-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-091938
Brc1cnc(nc1)NCC1NC[C@@H]2C1C2	SCHEMBL4056299,PC-id_68895579	269.141	VFSTZSMACLUORH-KXNKJCORSA-N	00100010000000100001010000000000000000000000000000000000	22-01-091939
Brc1cnc(nc1)NC[C@@H]1C[C@H]2[C@@H](N1)C2	PC-id_67081463,SCHEMBL1572285	269.141	GCQHLANUVUWGFM-YEPSODPASA-N	00100010000000100001010000000000000000000000000000000000	22-01-091940
Brc1cnc(nc1)NC[C@H]1NC[C@@H]2[C@H]1C2	PC-id_59153400,SCHEMBL2925136	269.141	VFSTZSMACLUORH-FTLITQJKSA-N	00100010000000100001010000000000000000000000000000000000	22-01-091941
Brc1cnc(nc1)NC[C@H]1NC[C@H]2[C@@H]1C2	SCHEMBL1340385,PC-id_66998785	269.141	VFSTZSMACLUORH-CNUIFLNQSA-N	00100010000000100001010000000000000000000000000000000000	22-01-091942
C1CC2C(O2)CC1NCON(C1CCC2C(C1)O2)[O-]	PC-id_164148049	269.151	GDXJBUFNMGZOGD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-091943
BrC(C1C2C1CCC2)c1ccc(F)cc1	PC-id_81636792	269.153	KXLJDRWWQKPVMR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091944
BrC(C1CC2C(C2)C1)c1ccc(F)cc1	PC-id_80470534	269.153	VGFNGDCCEMEHMN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091945
Fc1ccc(cc1)C(C12CCCC1C2)Br	MCULE-4509081551	269.153	NNDATGVLHPJRGO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091946
CC1[C@H]2[C@@H]1CC(C2)C(C(=O)O)NC(=O)OC(C)(C)C	PC-id_163627935	269.163	HTPNTWOKNWEGHQ-KGKTZVAMSA-N	00100010000010000000010000000000000000000000000000000000	22-01-091947
CC1([C@H]2[C@@H]1[C@@H](N(C2)C(=O)OC(C)(C)C)C(=O)OC)C	PC-id_154269727	269.163	ANLZCGMJKWMXFP-OPRDCNLKSA-N	00100010000000000000010000000000000000000000000000000000	22-01-091948
C=CCCC[C@@H]1[C@H]2C[C@H]2C[C@H]1OC(NCC(=O)O)O	PC-id_147039119	269.163	AZCIXPCAVMLYQI-JHXWTAKXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-091949
CCC(C)C(=O)OCCNC(=O)C1CCC2C(C1)O2	PC-id_153307259	269.163	VFNOBGSIUZPEBE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-091950
CC(C)(C)OC(=O)NC[C@@]1(C[C@H]2[C@@H]([C@@H]1O)O2)CC=C	PC-id_155159608	269.163	DHCCLFKTOLSOHE-RMIALFOJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-091951
CC(C)(C)OC(=O)N(CCC(=O)O)C1C[C@H]2C[C@@H]2C1	PC-id_154592012	269.163	WWHAELFHYWLULM-NXEZZACHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-091952
CC(C)(C)OC(=O)N[C@@H](C1C2C1CCCC2)C(=O)O	PC-id_153616705	269.163	GGZQAARRFAFLBG-QUBJWBRDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-091953
Clc1cc(CC(=O)C2C3C2CCC3)ccc1Cl	PC-id_81631613	269.166	HQJUYPIXVSZHIB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091954
Clc1cc(CC(=O)C2CC3C(C3)C2)ccc1Cl	PC-id_80467480	269.166	LIPLHVBQBJAUSM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091955
Clc1cc(C(=O)C2C3C2CCCC3)ccc1Cl	PC-id_81623920	269.166	VWYRNYCZUCGXKP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-091956
Clc1c(C(=O)C2C3C2CCCC3)ccc(Cl)c1	PC-id_81623922	269.166	QXVSKHFFYHVCLW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-091957
Clc1c(C(=O)C2C3C2CCCC3)cc(Cl)cc1	PC-id_81624003	269.166	QHBPKAQTDHBVBA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-091958
O=C(C1C2C1CCC2)Cc1cccc(c1Cl)Cl	PC-id_107311600	269.166	AHCSPQBLVHDXNC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091959
O=C(C1C2C1CCC2)Cc1ccc(cc1Cl)Cl	PC-id_114967212	269.166	NNBPTVGLJVFTRD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091960
O=C(C1C2C1CCC2)Cc1cc(Cl)ccc1Cl	PC-id_114973911	269.166	ITXTYTSMFSMCPH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091961
O=C(C1C2C1CCC2)Cc1c(Cl)cccc1Cl	PC-id_114966323	269.166	FNJKFOBUALDUFB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091962
O=C(C1CC2C(C1)C2)Cc1cccc(c1Cl)Cl	PC-id_107311687	269.166	KKUQNGYNFGWMEJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091963
O=C(C1CC2C(C1)C2)Cc1ccc(cc1Cl)Cl	PC-id_114967169	269.166	SDVZJBRHVZAKPI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091964
O=C(C1CC2C(C1)C2)Cc1cc(Cl)ccc1Cl	PC-id_114973851	269.166	JGVKDMJKUWKWPZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091965
O=C(C1CC2C(C1)C2)Cc1c(Cl)cccc1Cl	PC-id_114966274	269.166	DHVCPTYGFNUCHG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091966
O=C(c1cccc(c1Cl)Cl)C1C2C1CCCC2	PC-id_114970454	269.166	HKHCFKGTTUEVCX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-091967
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([C@H]2[C@@H]1C2)C(=O)NNC	PC-id_163573169	269.174	GBDIORVCPJKMGP-XFWSIPNHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-091968
BrC(C12CCCCC1C2)Cc1ncc[nH]1	MCULE-7551221571	269.181	HZGGDTHNIXXIGK-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-091969
BrC(C1C2C1CCCC2)Cc1[nH]ccn1	PC-id_81636179	269.181	DZMYFTHJFWXQCF-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-091970
BrCC1(CC2C(C1)C2)Cc1cncn1C	MCULE-3706134729	269.181	URSDQNPVOUKCGH-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-091971
BrCC1(CC2C(C2)C1)Cc1cn(nc1)C	PC-id_80473236	269.181	GUJDYPJQSSCCCQ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-091972
BrCC1(CC2C(C2)C1)Cc1nn(cc1)C	PC-id_82870464	269.181	UGEBBBYWYBJBNI-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-091973
BrC(C1CCC2C(C1)C2)Cc1ncc[nH]1	MCULE-1580057991	269.181	CPGAPKTVVUATKT-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-091974
BrC(C1CCCC2C1C2)Cc1ncc[nH]1	MCULE-3714894054	269.181	ORLJXTUTWMXJFU-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-091975
BrCc1ncn(c1)CC12CCCCC1C2	MCULE-2091845150	269.181	NYNOMDFWZIBWKC-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-091976
BrCc1ncn(c1)CC1CCC2C(C1)C2	MCULE-6368380889	269.181	GPEWDDXWXXADCS-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-091977
BrCc1ncn(c1)CC1CCCC2C1C2	MCULE-9770514189	269.181	CYRVIWCAUKKBIP-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-091978
Cc1nn(c(c1Br)C)CC1CC2C(C1)C2	MCULE-8560770178	269.181	XXVNKJYPZJLWIV-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-091979
ClC(C1C2C1CCC2)c1c(cc(Cl)c(c1)C)C	PC-id_81636200	269.209	IQBZJSPWAODOFL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091980
ClC(C1C2C1CCCC2)Cc1ccc(Cl)cc1	PC-id_81636869	269.209	JZFPUXWIRTXKEQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-091981
ClC(C1C2C1CCCC2)Cc1cc(Cl)ccc1	PC-id_81638053	269.209	HHEYIGRSOHGZSK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-091982
ClC(C1C2C1CCCC2)Cc1c(Cl)cccc1	PC-id_81637876	269.209	ADGZJAAZFYKAPD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-091983
ClCC1(CC2C(C1)C2)Cc1ccc(cc1Cl)C	PC-id_106870723	269.209	WCDMTTFPMJQAIO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091984
ClC(C1CC2C(C2)C1)c1c(cc(Cl)c(c1)C)C	PC-id_80469455	269.209	HROGGNBNEMBCNV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091985
ClC(c1cc(C)c(cc1Cl)C)C1C2C1CCC2	PC-id_115484626	269.209	PUTKMCMXTVDRKB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091986
ClC(c1cc(C)c(cc1Cl)C)C1CC2C(C1)C2	PC-id_115484650	269.209	PRCNLNCGBOTOMU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-091987
FC(C1C2C(=O)N(C(=O)C12)Cc1ccccc1)(F)F	MCULE-2547709088,EMOLS-id_93404320,PC-id_121215487	269.219	RPSIOCGQFQDMEE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091988
FC(C1[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1)(F)F	PC-id_102491408	269.219	RPSIOCGQFQDMEE-ULKQDVFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091989
FC(F)(F)[C@@H]1[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)C2=O	EMOLS-id_317451014,MCULE-9389857945,ZINC22_261513075	269.219	RPSIOCGQFQDMEE-MYJAWHEDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091990
O=C1[C@H]2C(C(F)(F)F)[C@@H]2C(=O)N1Cc1ccccc1	ZINC22_169379155	269.219	RPSIOCGQFQDMEE-RKDXNWHRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091991
O=C1[C@@H]2C(C(F)(F)F)[C@H]2C(=O)N1Cc1ccccc1	ZINC22_169379157	269.219	RPSIOCGQFQDMEE-IUCAKERBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091992
FC(Pc1ccc(cc1)C(=O)N1C[C@@H]2[C@H](C1)C2)F	PC-id_143874419	269.227	VBSIEJRFXTUKAL-AOOOYVTPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091993
OC[C@]1(O)O[C@@](O)(S)[C@@]2([C@](C1(O)O)(O)C2=O)N	PC-id_145723547	269.229	RGWRSYKRKLDLLZ-TWLZVZROSA-N	00100000000010000000010000000000000000000000000000000000	22-01-091994
C(=O)C(=O)[Si]1C2(C1([Si]2(C(=O)C(=O)F)F)F)F	PC-id_88217338	269.234	ZPVMKDPGJDSOCX-UHFFFAOYSA-N	00100000000000000000010000000000000000000000000000000000	22-01-091995
CN(C)CC(COC1CCCCCC2CC2CC1)O	PC-id_155200194	269.235	NIBKKHYCSUCVKS-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-091996
C1C2C1CN(C(C2)O)C(=O)Oc1cc(cc(c1)F)F	PC-id_134367802,SCHEMBL19995583	269.244	RMOSRTVUMQQJJX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-091997
O=C(N1CC2C(C1)C2(F)F)Cc1ccc(c(c1)O)O	EMOLS-id_320275512,MCULE-7011419498	269.244	VQPOZPNFGWWLGZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091998
FC(F)c1c(NC2C3C2CNC3)ccc([N+](=O)[O-])c1	PC-id_63735642	269.247	WNSMLKLQRIPMPX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-091999
FC(Oc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2)F	PC-id_141392114	269.247	YRJSKHXADTWXRB-PRJMDXOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-092000
O=C(c1ccn(n1)C1CC1(F)F)N[C@@]12COC[C@@H]1C2	EMOLS-id_319763637	269.247	XSCWIESNSNEYAL-MZFLBZIZSA-N	00100010100000000001110000000000000000000000000000000000	22-01-092001
C=CCOC(=O)NC1(CCC2C1C2C(=O)O)C(=O)O	PC-id_91478453	269.251	QDZHBQQPXRDCBI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-092002
C=CCOC(=O)N[C@]1(CC[C@@H]2[C@H]1[C@@H]2C(=O)O)C(=O)O	PC-id_140475406	269.251	QDZHBQQPXRDCBI-MEUQOTJWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-092003
C=CCOC(=O)N[C@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)O	SCHEMBL5841850,PC-id_11196464	269.251	QDZHBQQPXRDCBI-QZOVBDONSA-N	00100010000010000000010000000000000000000000000000000000	22-01-092004
CC(=O)O[C@H](C(=O)NC1=C[C@](C)(O)[C@H]2[C@@H](C1=O)O2)C	PC-id_102084444	269.251	LZBQWDSKCGBKCL-NMVJCQFUSA-N	00100000000011000000010000000000000000000000000000000000	22-01-092005
CC(=O)O[C@H](C(=O)NC1=C[C@@](C)(O)[C@@H]2[C@H](C1=O)O2)C	PC-id_102084445	269.251	LZBQWDSKCGBKCL-KGVJTRGISA-N	00100000000011000000010000000000000000000000000000000000	22-01-092006
COC(=O)C12C(=O)N(C(=O)C1(C2(C)C)C(=O)OC)C	PC-id_51055691,SPECS-id_AT-225/NB28934	269.251	SXBZWRHSBZATHN-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-092007
COC(=O)C1=CN(CCC[C@@H]2O[C@]12C(=O)OC)C=O	LI_63907,NSC275394,CoCoCo_5570261	269.251	MDBYQYXBWZDEAL-JOYOIKCWSA-N	00100000000000000110010000000000000000000000000000000000	22-01-092008
COC(=O)/C=C/C(=O)OCCN1C(O)C2C(C1=O)C2	SCHEMBL21158566,PC-id_139313183	269.251	RIYOMXXAYJXYQB-NSCUHMNNSA-N	00100010000000000000010000000000000000000000000000000000	22-01-092009
COC(=O)[C@@H]1[C@@H]2[C@H]1C(=O)C(=O)N2C(=O)OC(C)(C)C	PC-id_101732484	269.251	LMVLZKFTYBLSPI-ACZMJKKPSA-N	00100010000000000000010000000000000000000000000000000000	22-01-092010
O1C2C1(C(=CN(CCC2)C=O)C(=O)OC)C(=O)OC	PC-id_321773	269.251	MDBYQYXBWZDEAL-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-092011
O1C2C1C(=O)C=C(NC(=O)OCC=C)C2(OC)OC	PC-id_10107107	269.251	NUKZGTNUJQLYIX-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-092012
O1[C@@]2(O)[C@]1(O)[C@@H](O[C@H](Oc1ccc(N)cc1)[C@H]2O)C	PC-id_18336690,SCHEMBL7658192	269.251	DIHMOVUYEDIJTQ-NFOQIUCISA-N	00100000000010110000010000000000000000000000000000000000	22-01-092013
O1C2(O)C1(O)C(OC(Oc1ccc(N)cc1)C2O)C	PC-id_18381332	269.251	DIHMOVUYEDIJTQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-092014
O1[C@@H]2[C@H]1C(=O)C=C(NC(=O)OCC=C)C2(OC)OC	PC-id_10801899	269.251	NUKZGTNUJQLYIX-NXEZZACHSA-N	00100000000011000000010000000000000000000000000000000000	22-01-092015
O=C1N(C(=O)C2C(C12)(C)C)C(CCC(=O)O)C(=O)O	PC-id_64837048	269.251	HQDVXFCRNXMGTO-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-092016
O=CN1CCC[C@@H]2[C@](C(=C1)C(=O)OC)(O2)C(=O)OC	CoCoCo_5570260	269.251	MDBYQYXBWZDEAL-SKDRFNHKSA-N	00100000000000000110010000000000000000000000000000000000	22-01-092017
O1C2C1C(=O)C=C(NC(=O)/C=C/c1ccccc1)C2=O	PC-id_21772012	269.252	RRQYFUUZDRFYAX-VOTSOKGWSA-N	00100000000011110000010000000000000000000000000000000000	22-01-092018
O1C2C1C(=O)C=C(NC(=O)C=Cc1ccccc1)C2=O	PC-id_73835093	269.252	RRQYFUUZDRFYAX-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-092019
O=C1C(=CC(=O)C2=C1C2)COc1cccc(c1)C(=O)N	PC-id_140974352	269.252	HUUCFNNYNBBVDA-UHFFFAOYSA-N	00110000000011110000010000000000000000000000000000000000	22-01-092020
O1C2(OC12)CCCCCCn1c(=O)[nH]c(=O)[nH]c1=O	PC-id_57197314,SCHEMBL11189222	269.254	SPLCMPKHWUMSNV-UHFFFAOYSA-N	00100000000000100001010000000000000000000000000000000000	22-01-092021
O1C2(OC12C)CCCCCn1c(=O)[nH]c(=O)[nH]c1=O	SCHEMBL11175349,PC-id_57050900	269.254	CNAOUAULRRNQDL-UHFFFAOYSA-N	00100000000000100001010000000000000000000000000000000000	22-01-092022
O=C1N(C(=O)C2C1C2)CC(=O)Nc1ccc(cc1)C#N	PC-id_64834915	269.255	NXJQHKZPLBWIOS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-092023
O=C1N(C(=O)C2C1C2)CC(=O)Nc1c(cccc1)C#N	PC-id_64835664	269.255	FNEPJTYNXJNAJF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-092024
O=C1N(C(=O)C2C1C2)CC(=O)Nc1cc(ccc1)C#N	PC-id_64835665	269.255	GXSHFBADYDRAED-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-092025
Fc1cc(cc(c1)C(F)F)NC(=O)[C@@]12CCC[C@@H]1C2	EMOLS-id_318828529	269.262	HUGAAOCBIHBIOE-YMTOWFKASA-N	00100010000010110000010000000000000000000000000000000000	22-01-092026
Fc1ccc(c(c1C(=O)N1CC2C(C1)C2(C)C)F)F	EMOLS-id_102249798	269.262	AYBXUIFIVXXMBC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-092027
Fc1cc(NC(=O)[C@@H]2C[C@H]3[C@@H](C2)C3)cc(c1)C(F)F	EMOLS-id_319537734	269.262	JBHZKKIOJZWGJP-MBTKJCJQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-092028
FC(F)(F)c1ccc(C(=O)N2C3C2CCCC3)cc1	PC-id_10849566	269.262	NJKARQANYPCBED-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-092029
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C1C2C1CC(C2)(CC3=CC=NS3)CBr	MCULE-4654489214,PC-id_164645096	271.003	YIVGIIXCCYLQQD-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-093294
[Ge]1(C2=C1C(CSCC2(C)C)(C)C)(C)C	PC-id_13551104	271.008	YYALAQRORARWDZ-UHFFFAOYSA-N	00110000000000000110010000000000000000000000000000000000	22-01-093295
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C1C[C@@H](N(C1)C(=O)C2C3C2CCC3)CBr	PC-id_164644299	271.057	AZKIPOVEDOLOIM-XUHYKBHQSA-N	00100010000010000000010000000000000000000000000000000000	22-01-093300
C1C[C@@H](N(C1)C(=O)C2CC3CC3C2)CBr	PC-id_164644297	271.057	WMLQGMQTZFRALG-AHELAYONSA-N	00100010000010000000010000000000000000000000000000000000	22-01-093301
CC([C@H]1C[C@H]([C@@H]2[C@H]1C2)NC3=NC(=NC=C3F)Cl)O	PC-id_153694492	271.089	LNZJAIYDMBWVHK-UMDVMCCISA-N	00100010000010100001010000000000000000000000000000000000	22-01-093302
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C1CN(C[C@H]2[C@@]1(C2)O)S(=O)(=O)CCN3C=CN=C3	PC-id_154807698,MCULE-8239799663,EMOLS-id_317721051	271.099	LFIDNEFSUKLACL-WDEREUQCSA-N	00100000100010000001010000000000000000000000000000000000	22-01-093306
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C1C2C(C2Nc2c(c(=O)[nH]cn2)Br)CN1	PC-id_136977553	271.114	HDMIVJVIBYRSNS-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-093317
Cn1nnc(c1C(=O)C12CNCC1C2)Br	MCULE-4500982769	271.114	LBPFAORMMOPQSY-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-093318
C1C2(C1(CN(C2)CC3=CC=CC=C3)C(F)(F)F)CO	EMOLS-id_337939898,PC-id_165124304	271.118	VSPJUXSXHXSFOJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093319
CC1=C(C=CC(=C1)C(F)(F)F)OCC2[C@H]3[C@@H]2CNC3	PC-id_160334484	271.118	SEPBQFMJSBUBAF-FOSCPWQOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093320
CCCCOP1(=O)CC2C(C1)(C2(Cl)Cl)C	PC-id_101877700	271.121	XLLPTSWFBAAZRQ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-093321
C1CCC(C1)O[C@@H]2C[C@@H]3[C@H]([C@@]2(C=O)N)[C@]3(C(=O)O)F	PC-id_147140746	271.122	BSBIGNUJKQODSO-HQPVMZNJSA-N	00100010000010000000010000000000000000000000000000000000	22-01-093322
Fc1ccc(cc1)C(C12COCC1C2)Br	MCULE-3133181991	271.125	BQNBNEJBBMMFAY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093323
Brc1cnc(c(c1)F)NC12CCCC1C2	MCULE-9635979087	271.129	LYOMEGABRJBBJS-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-093324
C1[C@@H]2[C@H]1CN[C@@H](C2)CC3=C(N=CC(=C3)C(F)(F)F)N	PC-id_154374191	271.13	ZYZPZTYVPUBFDI-NMLBEHRDSA-N	00100000000010101000010000000000000000000000000000000000	22-01-093325
CC1=CC(=C(C(=C1)C)C[C@@]23[C@H]([C@H]2C(=O)[O-])CCC3=O)C	PC-id_152754244	271.134	RXPXJEHAEVLFQU-QRTARXTBSA-M	00100010000000110000010000000000000000000000000000000000	22-01-093326
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C1C2C(C2C(=NO)c2cc(c(cc2)Cl)Cl)CN1	SCHEMBL15274089,PC-id_89816770	271.142	NVZHHLURYBEUPV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093328
CC1CC2C(O2)N(C1=O)CCOCCOCC(=O)C	PC-id_163822069	271.142	NWGKZJMITNMXQD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-093329
CC(C)(C)OC(=O)N1[C@@H](C[C@]2([C@@H]1C2)COC)C(=O)O	PC-id_152750966	271.142	XYOSOALADJSBLR-MWODSPESSA-N	00100010000000000000010000000000000000000000000000000000	22-01-093330
Clc1cc(C(=O)N2CC3C(C3N)C2)ccc1Cl	PC-id_69122768,SCHEMBL4636581	271.142	LKCWPTNDLLXXEM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093331
Clc1cc(C(=O)NC2C3C2CNC3)ccc1Cl	PC-id_43594302	271.142	ZEKYSMDBLZDWPK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093332
Clc1cc(C(=O)NC2C3C2CNC3)cc(Cl)c1	PC-id_43594317	271.142	QMGMMCJIHFFQTC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093333
Clc1c(C(=O)N2CC3C(C3N)C2)ccc(Cl)c1	SCHEMBL4635848,PC-id_69122393	271.142	LERWXFAISRSKTC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093334
Clc1c(C(=O)NC2C3C2CNC3)cccc1Cl	PC-id_43594514	271.142	AHXCYKPJFRLLBY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093335
Clc1c(C(=O)NC2C3C2CNC3)ccc(Cl)c1	PC-id_43594299	271.142	YOCCXCDSXMTTPY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093336
Clc1c(C(=O)NC2C3C2CNC3)cc(Cl)cc1	PC-id_43594518	271.142	OFYCLIKKJHTGCV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093337
Clc1c(C(=O)NC2C3C2CNC3)c(Cl)ccc1	PC-id_43594507	271.142	VILWCUFHKJVSRB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093338
N1(CC2CC2C1)C(=O)Nc1ccc(c(Cl)c1)Cl	PC-id_110600943,MCULE-2968737068,EMOLS-id_36776113	271.142	NEOTUOHRTHKWEM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093339
OC(c1occc1Br)C1C2C1CCCC2	PC-id_115800683	271.15	XQWXPMXRBSSSMS-UHFFFAOYSA-N	00100000101010000000010000000000000000000000000000000000	22-01-093340
CC(C)SC=NCCNCC12[C@H]([C@@H]1F)CCC=N2	PC-id_164047119	271.152	VVGPGXLJGOXBOG-VYAYZGMFSA-N	00100000000011000000010000000000000000000000000000000000	22-01-093341
C1CC2C(O2)CC1[NH+]([NH-])O[NH+](C1CCC2C(C1)O2)[O-]	PC-id_163967770	271.153	SNHYFTDAWHXEPY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-093342
CC(CO)N1C(=O)NC2CC2N(C1=O)C(C)C(C)O	PC-id_164004679	271.153	ULYSLSGWUZIGDB-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-093343
NNC(c1occc1Br)C1C2C1CCC2	PC-id_105309190	271.154	BAFJMPLIPXEOKH-UHFFFAOYSA-N	00100010101010000000010000000000000000000000000000000000	22-01-093344
NNC(c1occc1Br)C1CC2C(C1)C2	PC-id_105309098	271.154	HFAYABAIGGPVCL-UHFFFAOYSA-N	00100010101010000000010000000000000000000000000000000000	22-01-093345
OC(c1c(Br)cnn1C)C1C2C1CCC2	PC-id_115839159	271.154	IBNBUSCGQMLDSZ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-093346
OC(c1c(Br)cnn1C)C1CC2C(C1)C2	PC-id_115839185	271.154	JLBJHORKPFAZCU-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-093347
BrCC1(CC2C(C1)C2)Cc1nnn(n1)C	PC-id_107058259	271.157	VZJDTWWOPSVFOK-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-093348
C[C@H]1C[C@H]2[C@H](C2(C)C)CC(=O)N1C(=O)C3=CC=CC=C3	PC-id_152171068	271.157	VPFXFIJXXPXILX-FPMFFAJLSA-N	00100000000000110100010000000000000000000000000000000000	22-01-093349
Nc1nc(Br)n(CC2CCC3CC3C2)n1	MCULE-5766583857,EMOLS-id_259591602	271.157	AVACIUZGQWFAIS-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-093350
NC(c1c(Br)nnn1C)C1C2C1CCC2	PC-id_106464959	271.157	KREPTBNZGZWNFV-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-093351
NC(c1c(Br)nnn1C)C1CC2C(C1)C2	PC-id_106464765	271.157	UVFXVQPSNWWYKC-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-093352
CC1=CC=CC=C1N=C(N=C)OC[C@@H]2[C@@H]3C[C@@H]3CN2C	PC-id_153584598	271.168	NXIZOFQXUFXQKT-UMVBOHGHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-093353
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Brc1ccsc1C(=O)C12CCCC1C2	MCULE-7614282525	271.173	WXMJUWRROJXFLD-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-093355
Brc1cscc1C(=O)C12CCCC1C2	MCULE-3851805610	271.173	VRRJLPNEFQXNQH-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-093356
Brc1c(scc1)C(=O)C1C2C1CCC2	PC-id_81624573	271.173	BCIKYNWHDAAUBP-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-093357
Brc1c(scc1)C(=O)C1CC2C(C2)C1	PC-id_80534800,EMOLS-id_107793485	271.173	ABTDOJFRCSRNHQ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-093358
Brc1sc(C(=O)C2C3C2CCC3)cc1	EMOLS-id_107233326,PC-id_81623833	271.173	OFAZRFCVDSKACP-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-093359
Brc1sc(C(=O)C2CC3C(C3)C2)cc1	PC-id_80467251,EMOLS-id_107410773	271.173	VQBCQMHHJUVYDQ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-093360
O=C(c1ccc(s1)Br)[C@@H]1C[C@H]2[C@@H](C1)C2	MCULE-8933922536	271.173	VQBCQMHHJUVYDQ-JIGDXULJSA-N	00100010100110000000010000000000000000000000000000000000	22-01-093361
O=C(c1cscc1Br)C1C2C1CCC2	PC-id_115784217	271.173	IRLSYGDVVJJOED-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-093362
O=C(c1cscc1Br)C1CC2C(C1)C2	PC-id_115784123	271.173	YTLBTOPAFYCFKH-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-093363
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Clc1c(CC2(CC3C(C3)C2)CO)ccc(Cl)c1	PC-id_80472905	271.182	JNWQAUVEGAHNLG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093366
Clc1c(CC2(CC3C(C3)C2)CO)cc(Cl)cc1	PC-id_80472984	271.182	YYGBMXFBRYJPRL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093367
Clc1c(CC2(CC3C(C3)C2)CO)c(Cl)ccc1	PC-id_80472650	271.182	ZLXXPSJDPZTZBF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093368
Clc1cc(CC2(CC3C(C3)C2)CO)ccc1Cl	PC-id_80472699	271.182	SLIRHLSDNDOMSE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093369
Clc1cc(CC2(O)C3C2CCCC3)ccc1Cl	PC-id_79331257	271.182	HYYNSTSTCRDDNM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-093370
Clc1cc(CC(O)C2C3C2CCC3)ccc1Cl	PC-id_81636249	271.182	NCDUWMCQOKFEEL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093371
Clc1cc(CC(O)C2CC3C(C3)C2)ccc1Cl	PC-id_80471940	271.182	ACXJRMXORAQFKJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093372
Clc1cc(C(O)C2C3C2CCCC3)ccc1Cl	PC-id_81643477	271.182	MGWOJQXIMDBZRU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-093373
Clc1c(C(O)C2C3C2CCCC3)ccc(Cl)c1	PC-id_81643834	271.182	QNLNBIDATWCJFR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-093374
Clc1c(C(O)C2C3C2CCCC3)cc(Cl)cc1	PC-id_81643738	271.182	ZSPBHGMGYCMYTM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-093375
ClC(C1C2C1CCC2)c1cc(Cl)c(OC)cc1	PC-id_81643489	271.182	NXIVVBCRRPQZDH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093376
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ClC(C1CC2C(C2)C1)c1c(Cl)cc(OC)cc1	PC-id_80470643	271.182	SIFWWXKGCOSXAI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093379
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COc1ccc(cc1C(C1CC2C(C1)C2)Cl)Cl	PC-id_104546407	271.182	QHYLOKDJRCXCJW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093381
OC(C1C2C1CCC2)Cc1cccc(c1Cl)Cl	PC-id_113944891	271.182	XKKSYYPGHPFRTE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093382
OC(C1C2C1CCC2)Cc1ccc(cc1Cl)Cl	PC-id_115785041	271.182	FMYMKIDJNYVTSA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093383
OC(C1C2C1CCC2)Cc1cc(Cl)ccc1Cl	PC-id_115801943	271.182	DLPLXULJUYOZAN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093384
OC(C1C2C1CCC2)Cc1c(Cl)cccc1Cl	PC-id_115782467	271.182	FCNGGIYJFBTQLO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093385
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OC(C1CC2C(C1)C2)Cc1ccc(cc1Cl)Cl	PC-id_115785067	271.182	UGJNQOAGPVYOGO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093388
OC(C1CC2C(C1)C2)Cc1cc(Cl)ccc1Cl	PC-id_115801976	271.182	VWQIMEBECYBOSN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093389
OC(C1CC2C(C1)C2)Cc1c(Cl)cccc1Cl	PC-id_115782498	271.182	ODHNRZWPGBLSGS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-093390
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C12(CCCCC1C2C(=O)NN=Cc1ccc(cc1)O)C	MCULE-8867796604	272.342	DBDYIVALDDTKPD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094281
C12CCCCC1C2C(=O)NN=Cc1ccc(cc1)OC	PC-id_2830951,MCULE-5844267219	272.342	NFBMOQRXFAPICQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094282
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C[C@]12CCCCC1C2C(=O)NN=Cc1ccc(cc1)O	PC-id_136067092	272.342	DBDYIVALDDTKPD-XUJLQICISA-N	00100000000010110000010000000000000000000000000000000000	22-01-094284
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C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(cc1)O	PC-id_136203182,CoCoCo_1907517	272.342	DBDYIVALDDTKPD-OXPNCTETSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094287
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(cc1)O	PC-id_136203183,CoCoCo_1907519	272.342	DBDYIVALDDTKPD-LOGAQHJJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094288
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C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1ccc(cc1)O	PC-id_136745468	272.342	DBDYIVALDDTKPD-LKMYFCJFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094290
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1ccccc1O	PC-id_136829060	272.342	GNLXYQYPXVSRCD-SSODJSFMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094291
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1ccccc1O	PC-id_136829061	272.342	GNLXYQYPXVSRCD-LYDZARBCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094292
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1ccccc1O	PC-id_136884234	272.342	GNLXYQYPXVSRCD-ZTJNSMHKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094293
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1ccccc1O	PC-id_136884236	272.342	GNLXYQYPXVSRCD-DMFKGXPESA-N	00100000000010110000010000000000000000000000000000000000	22-01-094294
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(cc1)O	PC-id_136899234	272.342	DBDYIVALDDTKPD-KBEVBYFBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094295
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(cc1)O	PC-id_136899235	272.342	DBDYIVALDDTKPD-XFUVHQQJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094296
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=Cc1ccc(cc1)O	PC-id_137027686	272.342	DBDYIVALDDTKPD-ODQSYCQDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094297
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=Cc1ccc(cc1)O	PC-id_137027687,CoCoCo_1907520	272.342	DBDYIVALDDTKPD-DUVDDBFMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094298
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C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=Cc1ccccc1O	PC-id_137030283	272.342	GNLXYQYPXVSRCD-BTJBMHTCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094300
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(cc1)O	PC-id_137081205,CoCoCo_1907521	272.342	DBDYIVALDDTKPD-ZGQHFSNZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094301
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(cc1)O	PC-id_137081206	272.342	DBDYIVALDDTKPD-VQXPOJFPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094302
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Cc1cccc([C@H](C)C(=O)O[C@H]2C[C@H]3[C@@H](C2)C3(C)C)c1	ZINC22_2325875377	272.382	POLQPCVEFRJVKN-QCEMKRCNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094466
CC(C12CC(C(C1C2)C)OC(=O)Cc1ccccc1)C	PC-id_139953859	272.382	PXUNJVBQXRROBF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094467
C=C(C1CCC2(C(C1)O2)C)CC(c1ccccc1C)O	SCHEMBL9090515,PC-id_18987894	272.382	QJRRTHQWCDJRTI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094468
C=Cc1ccc(cc1)OC(C1CCC2(C(C1)O2)C)(C)C	PC-id_102257034	272.382	RJNVMPYNYGQPCF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094469
CC(=C1[C@@H](OC[C@@]2([C@H]1C2)C)COCc1ccccc1)C	PC-id_102043009	272.382	HOCSSROJMOYPPD-XYJFISCASA-N	00100000000010110000010000000000000000000000000000000000	22-01-094470
CC(C)(C)c1ccc(OC(=O)C2[C@H]3CCCC[C@@H]23)cc1	PC-id_796837,ZINC22_18056458	272.382	XXQYMFYIPKHHTD-XYPWUTKMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094471
CC(C)(C)c1ccc(OC(=O)C2[C@H]3CCCC[C@H]23)cc1	ZINC22_2885502	272.382	XXQYMFYIPKHHTD-GJZGRUSLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094472
CC(C)(C)c1ccc(OC(=O)C2[C@@H]3CCCC[C@@H]23)cc1	ZINC22_301233	272.382	XXQYMFYIPKHHTD-HUUCEWRRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094473
CC(C)(C)c1ccc(OC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)cc1	CoCoCo_29844,ZINC22_245380384	272.382	XXQYMFYIPKHHTD-ZSHCYNCHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094474
C=C([C@H]1CC[C@@]2([C@H](C1)O2)C)COCc1cccc(c1)C	PC-id_101625881	272.382	TVAHPMPORROCMS-OKZBNKHCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094475
C=C([C@H]1CC[C@@]2([C@H](C1)O2)C)COCc1ccc(cc1)C	PC-id_101625882	272.382	DZBHQAPDZOVHOH-OKZBNKHCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094476
O=C1CCC(C2(C1(C)O2)CCCc1ccccc1)(C)C	PC-id_101401729	272.382	TVVBKRAEKVYSKV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094477
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Oc1ccc(cc1)C(C)(C)C	CoCoCo_29845	272.382	XXQYMFYIPKHHTD-MUJYYYPQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094478
OC(=O)C1(CC2C(C2)C1)Cc1ccc(cc1)C(C)(C)C	PC-id_80468237	272.382	WCRAZDPCCXGFPI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094479
C12C(C1=C=C(c1ccccc1)c1ccccc1)CCCC2	PC-id_15099212	272.384	IWZRHLWYNWPVGH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094480
c1ccc(cc1)Cc1ccc(cc1)CC1=CC2C(C=C1)C2	PC-id_144377928	272.384	ASPLRALCJNXNAK-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-094481
C1CC[C@H]2[C@H](C1)C2=C=C(c1ccccc1)c1ccccc1	PC-id_101186505	272.384	IWZRHLWYNWPVGH-OALUTQOASA-N	00100000000010110000010000000000000000000000000000000000	22-01-094482
CC(C1C2C1C=CC=C2)(C1=CC#CC=C1)C1CC=CC=C1	PC-id_143864097	272.384	LSCPNXWXOOXGIS-UHFFFAOYSA-N	00100000000011100000010000000000000000000000000000000000	22-01-094483
[C@H]12[C@H](C1=C=C(c1ccccc1)c1ccccc1)CCCC2	PC-id_56642627	272.384	IWZRHLWYNWPVGH-KDURUIRLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094484
O[S@@H]1[C@@H]2[C@H]1C[C@](C2)(C)S(=O)(=O)c1ccccc1	7203937_OpenMolecule	272.384	OOHIYCZSVARLEQ-GDNZZTSVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094485
C12(CC)CN(CC1C2)CC(=O)NCCc1ccccc1	EMOLS-id_317891766,MCULE-2115133655	272.385	RVFOTHUHFMFADB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094486
C12CC(=NO)C(CC1C2(C)C)(C)NCc1ccccc1	PC-id_4178421,MCULE-3212634162	272.385	ATJXSBVUUDVVKY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094487
CC1(C)C2C/C(=N/O)/C(C)(CC12)NCc1ccccc1	EMOLS-id_303933332,PC-id_6029324	272.385	ATJXSBVUUDVVKY-CYVLTUHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094488
Cc1ccccc1CC(C)(C)NC(=O)C1C2C1CNC2	SCHEMBL19724726,PC-id_86293314	272.385	UXOGDCAXGBUMKV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094489
Cc1ccccc1CC(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12	SCHEMBL16255899,BindingDB-id_599426	272.385	UXOGDCAXGBUMKV-FICVDOATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094490
Cc1cc(C)c(c(c1)C)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102491052	272.385	IQDUZVYXLUMNBR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094491
CC1(C)[C@H]2C[C@](C)(NCc3ccccc3)/C(=NO)/C[C@@H]12	ZINC22_16948541	272.385	ATJXSBVUUDVVKY-ZOEXJRFPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094492
CC1(C)[C@H]2C/C(=N/O)/[C@@](C)(NCc3ccccc3)C[C@H]12	ZINC22_226801541	272.385	ATJXSBVUUDVVKY-AYXAXUCDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094493
CC1(C)[C@H]2C/C(=N/O)/[C@@](C)(NCc3ccccc3)C[C@@H]12	ZINC22_251103321	272.385	ATJXSBVUUDVVKY-ZTIQNTQESA-N	00100000000010110000010000000000000000000000000000000000	22-01-094494
CC1(C)[C@@H]2C/C(=N/O)/[C@@](C)(NCc3ccccc3)C[C@@H]12	ZINC22_251103322	272.385	ATJXSBVUUDVVKY-ZULKFSDLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094495
CC[C@]12C[C@H]1CN(CC(=O)NCCc1ccccc1)C2	ZINC22_1772812903	272.385	RVFOTHUHFMFADB-DOTOQJQBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094496
CC[C@]12C[C@@H]1CN(CC(=O)NCCc1ccccc1)C2	ZINC22_1772812904	272.385	RVFOTHUHFMFADB-NVXWUHKLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094497
CC[C@@]12C[C@H]1CN(CC(=O)NCCc1ccccc1)C2	ZINC22_1772812905	272.385	RVFOTHUHFMFADB-RDJZCZTQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094498
CC[C@@]12C[C@@H]1CN(CC(=O)NCCc1ccccc1)C2	ZINC22_1772812906	272.385	RVFOTHUHFMFADB-WBVHZDCISA-N	00100010000000110000010000000000000000000000000000000000	22-01-094499
CCC1CC2C(N1C(=O)C(c1ccccc1)N(C)C)C2	PC-id_71241321,SCHEMBL14665107	272.385	DLQYMCCTPYLHRI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094500
CC(C(c1ccccc1)N)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_302166106,PC-id_119804296,MCULE-7371752949	272.385	MVKLRHLMBMLFKG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094501
CC(C)c1ccc(N(C)C(=O)[C@@]23C[C@@H](N)C[C@@H]2C3)cc1	ZINC22_872273128	272.385	TYKFFYSHBJVBMO-KEYYUXOJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094502
CC(C)(CCc1ccccc1)NC(=O)C1C2C1CNC2	SCHEMBL19724461,PC-id_86293128	272.385	JVMOVQZHQLVHSH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094503
CC(C)(CCc1ccccc1)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12	BindingDB-id_599424,SCHEMBL16255893	272.385	JVMOVQZHQLVHSH-FICVDOATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094504
CCCNCc1ccc(cc1)NC(=O)C1C2C1CCC2	PC-id_106910253	272.385	PPIZJZZONNMAAU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094505
CCCNCc1cccc(c1)NC(=O)C1C2C1CCC2	PC-id_106910626	272.385	VNQXZKRMFGROJH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094506
CCCNCc1ccc(cc1)NC(=O)C1CC2C(C1)C2	PC-id_106910303	272.385	UZBVQXJZXPGONS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094507
CCCNCc1cccc(c1)NC(=O)C1CC2C(C1)C2	PC-id_106910678	272.385	SLJZDHUUFMIPGC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094508
CC(CN(C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)Cc1ccccc1)C	EMOLS-id_319795646	272.385	SAOWJYPZHGKVRW-ZSHCYNCHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094509
CC(NCc1ccc(cc1)NC(=O)C1C2C1CCC2)C	PC-id_106910380	272.385	ANXOVNKEJPZLOF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094510
CC(NCc1cccc(c1)NC(=O)C1C2C1CCC2)C	PC-id_106910754	272.385	AVJQLPXRXSUXQC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094511
CCNCc1ccc(cc1)NC(=O)C1C2C1CCCC2	PC-id_106910191	272.385	GXQOOWZLCGQRII-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094512
CC(NCc1ccc(cc1)NC(=O)C1CC2C(C1)C2)C	PC-id_106910424	272.385	GOTCRDGUHBTGTF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094513
CC(NCc1cccc(c1)NC(=O)C1CC2C(C1)C2)C	PC-id_106910792	272.385	GGBNJUFIIZGAIU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094514
CCNC[C@H]1C[C@@H](N2[C@H]1C2)[C@@H](c1ccc(cc1)C=O)C	NP_1652	272.385	YQKFLZKZXDGNJM-VMMLNQTBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094515
CCNC(=O)c1cccc(c1)CNC12CCCCC1C2	EMOLS-id_319367918	272.385	GNNJJXBNORVPHT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094516
[C@H]1(CN2CCC(CC2)c2cccc(O)c2)[C@H]2[C@@H]1CNC2	MCULE-7462670492,EMOLS-id_49885475	272.385	UAEACLWVMRKCCB-FVQHAEBGSA-N	00100010000010110000110000000000000000000000000000000000	22-01-094517
CNCCc1ccccc1C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_317925291	272.385	AWDKMHSCBZAWLD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094518
NCC(c1ccccc1)(NC(=O)C1C2C1CCCC2)C	PC-id_105060487	272.385	PBLPOELWIMGODD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094519
NCCCc1cccc(c1)NC(=O)C1C2C1CCCC2	PC-id_104307807	272.385	ANFOIIBPXXGMIW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094520
NCCCN(C(=O)C1C2C1CCC2)Cc1ccccc1	EMOLS-id_302411070,MCULE-1718224871,PC-id_107365847	272.385	SWFGFJCXBGCGSC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094521
NCCCN(C(=O)C1CC2C(C1)C2)Cc1ccccc1	PC-id_107365587	272.385	XBRBUBKEJUTCBS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094522
NCCN(C(=O)C1C2C1CCC2)CCc1ccccc1	PC-id_120886406	272.385	JWVACFGRPVLHAG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094523
NNC(C1C2C1CCCC2)c1cccc(c1)OC1CC1	PC-id_105341160	272.385	IWVAWVTYAUPLOF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094525
Oc1cc(C2CCN(CC3[C@@H]4[C@H]3CNC4)CC2)ccc1	PC-id_77089487	272.385	UAEACLWVMRKCCB-SJPCQFCGSA-N	00100010000010110000110000000000000000000000000000000000	22-01-094526
O=C(C1C2C1CCC2)Cc1ccn(n1)C1CCCCC1	PC-id_114975061	272.385	XIHNJLJYLBZPER-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-094527
O=C(C1C2C1CCCC2)Cc1ccn(n1)C1CCCC1	PC-id_114977414	272.385	XZNNVCGLLSEIET-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-094528
O=C(C1CC2C(C1)C2)Cc1ccn(n1)C1CCCCC1	PC-id_114975034	272.385	GHYDGEOZFCBFAS-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-094529
O=Cc1ccc(cc1)C(C)C1N2CC2C(CNCC)C1	CNP0091817	272.385	YQKFLZKZXDGNJM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094530
O=C(c1cccc(c1N)C(C)(C)C)N1CCC2C(C1)C2	EMOLS-id_319714486	272.385	KUOJOCWEYKYDFQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094531
O=C(C1[C@@H]2[C@H]1CNC2)NC(Cc1ccccc1C)(C)C	BindingDB_PC-id_86293314	272.385	UXOGDCAXGBUMKV-YIONKMFJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094532
O=C(C1[C@@H]2[C@H]1CNC2)NC(CCc1ccccc1)(C)C	SCHEMBL17849509,BindingDB_PC-id_86293128	272.385	JVMOVQZHQLVHSH-YIONKMFJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094533
O=C(C(C)(C)C)NC1(Cc2ccccc2)C2C1CNC2	SCHEMBL8766357,PC-id_57028647	272.385	AVBIWOMHUAPDHI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094534
O=C(C(C)(C)C)N[C@@H]1C2C1CN(C2)Cc1ccccc1	PC-id_19091695,SCHEMBL8766353	272.385	ZOVDFWUFAWDFRJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094535
O=C([C@@H]1C[C@@H]2[C@H](N1)C2)NCCc1c(C)cc(cc1C)C	EMOLS-id_318162767	272.385	NJGOJYIKZXQZAZ-BMFZPTHFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094536
O=C(C(NC1CCC[C@@H]2[C@H]1C2)C)NCc1ccccc1	EMOLS-id_318167218	272.385	PJVWNHJGCWJDPH-NTTQHLPKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094537
O=C(NC1C2C1CNC2)C(C(CC)C)c1ccccc1	PC-id_43594424	272.385	VTOMRAXRHZCJHL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-094538
O=C(Nc1cc(ccc1)CNCC)C1C2C1CCCC2	PC-id_81487994	272.385	IQJRAQPMUYYGIQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094539
O=C(Nc1ccc(cc1)C(NC)C)C1C2C1CCCC2	PC-id_81623904	272.385	XCRIWGDFGOJVNY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094540
O=C(Nc1ccc(cc1)C(NCC)C)C1C2C1CCC2	PC-id_81624077	272.385	YERUTTJOOODKCW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094541
O=C(Nc1ccc(cc1)C(NCC)C)C1CC2C(C2)C1	PC-id_80467158	272.385	RKYBVOZFJUZVSH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094542
O=C(Nc1ccc(C(CN)(C)C)cc1)C1C2C1CCC2	PC-id_81623061	272.385	MKHJCOFAPDUGCL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094543
O=C(Nc1ccc(C(CN)(C)C)cc1)C1CC2C(C2)C1	PC-id_80465862	272.385	GQQIDEDBYSOYDB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094544
O=C(Nc1cc(C(NC)C)ccc1)C1C2C1CCCC2	PC-id_81624181	272.385	WXVWSZYQJUPLSQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094545
O=C(Nc1cc(C(NCC)C)ccc1)C1C2C1CCC2	PC-id_81624371	272.385	VYBNJJBSQCSIAI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094546
O=C(Nc1cc(C(NCC)C)ccc1)C1CC2C(C2)C1	PC-id_80467215	272.385	YOLKTWDJZJKUFG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094547
O=C(Nc1ccc(N(CC)CC)cc1)C1CC2C(C2)C1	PC-id_80472420	272.385	KOPDBVFEBXMNIY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094548
O=C(Nc1c(CNCC)cccc1)C1C2C1CCCC2	PC-id_81488668	272.385	UFUDQMXTXBLHHE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094549
O=C(Nc1c(C(NC)C)cccc1)C1C2C1CCCC2	PC-id_81624461	272.385	RNJZFNWAMQANAG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094550
O=C(Nc1c(C(NCC)C)cccc1)C1C2C1CCC2	PC-id_81624644	272.385	CDOLFCSVRVGRNV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094551
O=C(Nc1c(C(NCC)C)cccc1)C1CC2C(C2)C1	PC-id_80467282	272.385	IMHGMEBUPRYLKJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094552
O=C(NCc1ccc(cc1)CCN)C1C2C1CCCC2	PC-id_81478895	272.385	IIJVPDODDDEABW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094553
O=C(NC(c1ccc(cc1)CN)C)C1C2C1CCCC2	PC-id_81623131	272.385	XWFKRHYKYUYGOY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094554
O=C(N(Cc1cc(ccc1)CN)C)C1C2C1CCCC2	PC-id_81623485	272.385	NAEVCFFDJLEUDT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094555
O=C(N(Cc1ccc(cc1)CN)C)C1C2C1CCCC2	PC-id_81623626	272.385	DWLZJRAVYJMTNF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094556
O=C(N(Cc1ccc(N)cc1)CC)C1C2C1CCCC2	PC-id_81622926	272.385	NLMRNWBWCWXMPZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094557
O=C(N(Cc1ccc(N(C)C)cc1)C)C1CC2C(C2)C1	PC-id_80472376	272.385	DGYHQRRWFRHXSO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094558
O=C(N(C(c1cc(N)ccc1)C)C)C1C2C1CCCC2	PC-id_81622709	272.385	SSLUWFBDZUILSS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094559
O=C(N(Cc1cc(N)ccc1)CC)C1C2C1CCCC2	PC-id_81623072	272.385	AUVPMWVNTCLUJI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094560
O=C(N(Cc1c(CN)cccc1)C)C1C2C1CCCC2	PC-id_81623487	272.385	DBWJSIYXLWNLNQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-094561
O=C(N(Cc1c(CN)cccc1)CC)C1C2C1CCC2	PC-id_81623411	272.385	ACJXKDBZQXUBRA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094562
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ClC(C1CC2C(C2)C1)c1cc(c(F)cc1Cl)C	PC-id_81051133	273.173	OZHNAARODYSHET-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-094804
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BrC(C12COCC1C2)Cc1cccs1	MCULE-7753006999	273.189	FEPOJDZBYRRHIN-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-094819
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Brc1csc(n1)NC1C2C1CCCC2	EMOLS-id_107832558	273.193	YXFRJSGXMLNJLG-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-094825
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C1CC[C@@H]2[C@@H](C1)C2C(=O)N/N=Cc1c(c(ccc1)O)O	PC-id_136734066	274.315	BRFSDZPVUKJWDB-YQHSZNCWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-095844
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C1CC[C@@H]2[C@@H](C1)C2C(=O)N/N=Cc1c(cc(cc1)O)O	PC-id_136856940	274.315	YSLAVDGJVHQUCM-GAAFXGMGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-095846
C1CC[C@@H]2[C@@H](C1)C2C(=O)NN=Cc1c(c(ccc1)O)O	PC-id_137212623	274.315	BRFSDZPVUKJWDB-GHMZBOCLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-095847
C1CC[C@H]2[C@H](C1)C2C(=O)NN=Cc1c(c(ccc1)O)O	PC-id_137212624	274.315	BRFSDZPVUKJWDB-QWRGUYRKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-095848
C1(C(=O)Nc2ccc(c(c2)N(=O)=O)C)C2C1CCCC2	EMOLS-id_1172618,TIMTEC90861,SPECS-id_AG-690/36536029,PC-id_579215,MCULE-1811721474,BAS-00190457,CHEMBL1478847,ChEMBL-DNDi_CHEMBL1478847	274.315	BYZAYPJHKXBYHG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-095849
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COc1ccc(cc1CC(=O)C1C2C1CCCC2)Cl	PC-id_113656827	278.774	ZHKZWQIELLJBSW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-099454
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Clc1sc(S(=O)(=O)NC2C3C2CNC3)cc1	PC-id_43597454	278.779	KOZPJYLJYBBQKZ-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-099476
ClC(C1C2C1CCCC2)c1ccc(cc1)CCOC	PC-id_81643752	278.817	GNJFEXLKXRJVAQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-099477
ClC(C1C2C1CCCC2)c1cc(c(OC)c(c1)C)C	PC-id_83068212	278.817	VEWPYRJBBFHZHG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-099478
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CC(C)(C)OC(=O)N1CC(C[C@@]2(C1S2)C=O)(F)F	PC-id_154012843	279.074	DIRJCXRWFNTSDC-MHPPCMCBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-099500
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CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]3C[C@@]3(C2)C=O	PC-id_162367473	279.093	JSKBCHUWOONKAC-TZMCWYRMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-099502
CC(C1C2C1CC(C2)O)C(=O)NC3=CC=C(C=C3)Cl	PC-id_153288838	279.103	UZFXPPZJIVRFAB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-099503
CC(C1C2C1CC(C2)O)NC(=O)C3=CC=C(C=C3)Cl	PC-id_153288964	279.103	BJCLHQFPFPMJGO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-099504
CC(C1[C@H]2[C@@H]1CC(C2)O)C(=O)NC3=CC=C(C=C3)Cl	PC-id_153288929	279.103	UZFXPPZJIVRFAB-SMMQAORXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-099505
CC(C1[C@H]2[C@@H]1CC(C2)O)NC(=O)C3=CC=C(C=C3)Cl	PC-id_147092608	279.103	BJCLHQFPFPMJGO-SMMQAORXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-099506
COC(=O)C1=C(CC2C(C1)C2(Cl)Cl)C(=O)OC	SCHEMBL19983309,PC-id_134356783	279.117	WAFCUPVRROIVOL-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-099507
CCC(=O)C12C[C@H]([C@H](N1C2)I)C	PC-id_118018546,SCHEMBL16646558	279.118	WSPBRWYDCPJODB-KKEBHWEMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-099508
ICCNC(=O)C12CCCC1C2	MCULE-4945396224	279.118	SHYYYAYSVKTLLD-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-099509
ICCNC(=O)C1C2C1CCC2	PC-id_104080833,EMOLS-id_262224035	279.118	TWWCKYYIZMDHSZ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-099510
ICCNC(=O)C1CC2C(C1)C2	EMOLS-id_107325160,PC-id_104080832	279.118	NFTMXBZKLSFUGQ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-099511
ICCNC(=O)[C@@H]1C[C@H]2[C@@H](C1)C2	MCULE-8091145713	279.118	NFTMXBZKLSFUGQ-JIGDXULJSA-N	00100010000010000000010000000000000000000000000000000000	22-01-099512
COC(=O)C12COC(C1(C2)Br)(O)C(C)C	PC-id_102323095	279.128	CTJJTFTULNFLQW-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-099513
Brc1ccc(NC2C3COCC23)c(c1)C#N	MCULE-1703630274,EMOLS-id_320421127,PC-id_162343081	279.133	QEHBEUDJCKDOBL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-099514
N#Cc1ccc(cc1Br)N[C@@]12COC[C@@H]1C2	EMOLS-id_319187346	279.133	JALZURWJBYUILH-CABZTGNLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-099515
CP(OCCC1[C@H]2[C@@H]1CCC#CCC2)OCC[N+]#[C-]	PC-id_149359372	279.139	YHPIGYICEIWITQ-WWMCIYDGSA-N	00100000000000000110010000000000000000000000000000000000	22-01-099516
CC(C)[C@@H](C(=O)N)N(C)C(=O)[C@@]12CN(CC1=C2)C(=O)C	PC-id_165407622	279.158	QMSRFNSKRGNKKK-FZMZJTMJSA-N	00110010000000000000010000000000000000000000000000000000	22-01-099517
CC12CCC(CC1O2)CC3(CCC4(C(C3)O4)C)C(=O)[O-]	PC-id_161854439	279.16	XZMGBJPKDRHQPI-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099518
CC1C2C(O2)CCC1(CC3CCC4C(C3)(O4)C)C(=O)[O-]	PC-id_149982750	279.16	CXPDRSTWMPMCGZ-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099519
CC1C2(C(O2)CCC1(CC3CCC4C(C3)O4)C(=O)[O-])C	PC-id_153707298	279.16	FODCLWFKQJEGLW-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099520
CC1(C2C(O2)CCC1(CC3CCCC4C3O4)C(=O)[O-])C	PC-id_153707455	279.16	CQHMCPKFCQJUDR-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099521
CC1CC2C(O2)CC1CC34C(CC(CC3O4)C(=O)[O-])C	PC-id_150664608	279.16	JEPGBBAIDSTVDE-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099522
CC1CC2C(O2)C(C1(CC3CCC4C(C3)O4)C(=O)[O-])C	PC-id_153711323	279.16	KJFSEULYWUITIL-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099523
CC1(CC2(C(O2)CC1C(=O)[O-])CC34CCCCC3O4)C	PC-id_153701878	279.16	JLSWVOPGILJDIA-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099524
CC1(CC2C(O2)(CC1C(=O)[O-])CC3CCC4C(C3)O4)C	PC-id_154118134	279.16	MZPLHVIRWMCGTK-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099525
CC1(CCC2C(C1(C)CC1CCC3C(C1)O3)O2)C(=O)[O-]	PC-id_163948521	279.16	RXGNGKIOBAFVJQ-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099526
CC1CC(CC2C1O2)CC1(CC2C(O2)CC1C)C(=O)[O-]	PC-id_163884563	279.16	PWFMZCWKBPZLGA-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099527
CC1(C(CCC2(C1O2)CC34CCCCC3O4)C(=O)[O-])C	PC-id_153979379	279.16	CMOMTEHUJCJFLP-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099528
CC1CC(CC2C1O2)(CC3CCC4C(C3)(O4)C)C(=O)[O-]	PC-id_152411844	279.16	XLPOWQYPJPWPDO-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-099529
ICCCN1CC2C(C1)C2(C)C	EMOLS-id_262225191	279.161	XMARGBSZLURGPU-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-099530
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BrC1(C2C1CCCC2)C(=O)c1ccccc1	PC-id_13133127	279.172	QSOGLCNLTFENAN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-099533
BrC1(C2C1C=CCC2)C(O)c1ccccc1	PC-id_85304466	279.172	RXFNEUXGVISWSJ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-099534
BrC1C2C(C2C(=O)c2ccccc2)CCC1	PC-id_14199349	279.172	LLJLOCRCAHFQNS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-099535
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Brc1ccc(C(=O)C2C3C2CCCC3)cc1	PC-id_81624957	279.172	VQACCWSFHFLCLP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-099539
Brc1cc(CC(=O)C2CC3C(C3)C2)ccc1	PC-id_80467368	279.172	UNCHWSKTEPGIGL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-099540
Br[C@]1([C@@H]2[C@H]1C=CCC2)C(O)c1ccccc1	PC-id_10891210	279.172	RXFNEUXGVISWSJ-QNMSZWNNSA-N	00100000000011110000010000000000000000000000000000000000	22-01-099541
O=C(C1C2C1CCC2)Cc1ccccc1Br	PC-id_114962587	279.172	GCGZAFAFNQICJH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-099542
O=C(C1CC2C(C1)C2)Cc1ccccc1Br	PC-id_114962539	279.172	WLUVEWQSRHZUFH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-099543
C1C[C@@H]2[C@@H](C2COC(=O)CCCOCCN)CCC#C1	PC-id_161931977	279.183	TXHQHWQEJAZXNJ-YIONKMFJSA-N	00100000000000000110010000000000000000000000000000000000	22-01-099544
CC(=O)N(CC1CCC2C(C1)O2)CC3CCC4C(C3)O4	PC-id_153743178	279.183	PNXWWQVHWZYYKG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-099545
CCP(=O)(NC1(COC2C1C2C(=O)O)C(=O)O)O	SCHEMBL5058013,PC-id_69296394	279.184	ROZWWQRJVYNSJK-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-099546
P(=O)(O)(O)/C=C/1C2C(C2C(O)O)C(N)(C1)C(=O)O	PC-id_20675407	279.184	LWRQPGAMEGBMOL-IHWYPQMZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-099547
P(=O)(O)(O)C=C1C2C(C2C(O)O)C(N)(C1)C(=O)O	PC-id_54056592	279.184	LWRQPGAMEGBMOL-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-099548
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Clc1cc(NC(=O)C2CC3C(C3)C2)c([N+](=O)[O-])cc1	PC-id_80471201	280.707	PJWBFRZVZPLREN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101095
Clc1cc([N+](=O)[O-])c(NC(=O)C2CC3C(C3)C2)cc1	PC-id_80471241	280.707	XTQLGQBTAFIQTC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101096
Clc1c(NC(=O)C2CC3C(C3)C2)ccc([N+](=O)[O-])c1	PC-id_80471221	280.707	MSERLRGVRWQCRE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101097
Clc1c(NC(=O)C2CC3C(C3)C2)cc([N+](=O)[O-])cc1	PC-id_80471372	280.707	JTTIEKMSDUKJSC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101098
Clc1c([N+](=O)[O-])cc(NC(=O)C2CC3C(C3)C2)cc1	PC-id_80472323	280.707	MRECSFKSHACHCF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101099
O=C1NC(=O)N(C2C1O2)CC(c1ccccc1Cl)C	PC-id_144771231	280.707	ATDZBJAKFDDVGT-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-101100
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ncncc1Cl	EMOLS-id_320308263,MCULE-5505911807	280.71	PHBUWVGRODGLFF-KRTXAFLBSA-N	00100000000010100001010000000000000000000000000000000000	22-01-101101
Clc1cc(CC2(CC3C(C3)C2)C(=O)O)c(OC)cc1	PC-id_80468117	280.747	MBOZADVEWWXRJZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101102
Clc1c(C(=O)C2C3C2CCC3)cc(OC)c(OC)c1	PC-id_81624293	280.747	HVORPIGPAJDPJR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101103
Clc1c(C(=O)C2CC3C(C3)C2)cc(OC)c(OC)c1	PC-id_80467249	280.747	DFSGTDZXYUNWNQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101104
COc1c(ccc(c1Cl)OC)C(=O)C1C2C1CCC2	PC-id_113523330	280.747	LVGIYSMYEOGALF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101105
COc1c(ccc(c1Cl)OC)C(=O)C1CC2C(C1)C2	PC-id_113523318	280.747	DSKCVSAWMLDYFH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101106
C1[C@@H](C2CC2C1NC(=O)COc1ccc(cc1)Cl)N	SCHEMBL20632018,PC-id_137400310	280.75	WGVWAULYIDOJAB-ARAJFMJPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101107
C1[C@@H](C2CC2[C@@H]1NC(=O)COc1ccc(cc1)Cl)N	PC-id_137399051,SCHEMBL20630629	280.75	WGVWAULYIDOJAB-IFWUJCSASA-N	00100010000010110000010000000000000000000000000000000000	22-01-101108
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CO)Cl	PC-id_66741723,SCHEMBL607019	280.75	CWAXWNBJBARJNZ-VWYCJHECSA-N	00100000000010101000010000000000000000000000000000000000	22-01-101109
Clc1cc(OC(C(=O)NC2C3C2CNC3)C)ccc1	PC-id_55053044	280.75	QKGYAXSLZGWVRZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-101110
Clc1c(nc(cc1)C)C(=O)N1CC2C(C2)CC1CO	PC-id_77183443	280.75	CWAXWNBJBARJNZ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-101111
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccc(cn1)Cl	EMOLS-id_319634052	280.75	RPDLIKUIZMEMQU-QMTHXVAHSA-N	00100000000010101000010000000000000000000000000000000000	22-01-101112
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccncc1Cl	EMOLS-id_318885734	280.75	BQZHSUQXFHNEMK-BXUZGUMPSA-N	00100000000010101000010000000000000000000000000000000000	22-01-101113
O=C(C1C2C1CCC2)NCCOc1cncc(c1)Cl	EMOLS-id_98056319	280.75	NSPVHJWUMJAHBB-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101114
Clc1cnn(c(=O)c1NC1C2C1CNC2)CC1CC1	PC-id_114443914	280.753	IORBWBVBLYMNKI-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-101115
ClC(C1C2C1CCC2)c1c(cc(OC)c(OC)c1)C	PC-id_81637126	280.79	PHAQBGPQWJFFEX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101116
ClC(C1C2C1CCCC2)c1cc(OC)c(OC)cc1	PC-id_81643673	280.79	VKLBLSCTQIBKFK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101118
ClC(C1C2C1CCCC2)c1c(OC)ccc(OC)c1	PC-id_81643302	280.79	IMGRHQPOTDXAGN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101119
ClC(C1C2C1CCCC2)c1c(OC)cc(OC)cc1	PC-id_81644421	280.79	JZFWVZKHIYOGNL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101120
ClC(C1CC2C(C2)C1)c1c(cc(OC)c(OC)c1)C	PC-id_80470782	280.79	GEWFBXWURDDWEX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101121
ClC(C1CC2C(C2)C1)Cc1cc(OC)c(OC)cc1	PC-id_80472092	280.79	SDVBMADNELEWPA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101122
ClCC1(CC2C(C2)C1)CCOc1ccc(OC)cc1	PC-id_80472708	280.79	JBSKCNYOGYYQAA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101123
ClCC1(CC2C(C2)C1)CCOc1c(OC)cccc1	PC-id_80473285	280.79	KTKZYWPFYIUVAD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101124
ClCCCC1C(OCc2ccccc2)C2(OC2C1)C	PC-id_11300495	280.79	AUKRDXDXFDFXOQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-101125
COc1ccc(cc1CC(C1C2C1CCCC2)O)Cl	PC-id_115788772	280.79	FRGBVKNYEOSXGO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101126
CCc1nn(c(c1Cl)CC(=O)C1C2C1CCCC2)C	PC-id_114980452	280.793	AQXNHCTUSMHEOP-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-101127
CCn1nc(c(c1CC(=O)C1C2C1CCC2)Cl)CC	PC-id_113658642	280.793	YJPPROFUAFVHMV-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101128
CCn1nc(c(c1CC(=O)C1C2C1CCCC2)Cl)C	PC-id_113658299	280.793	LJSKTCBWOQOPGH-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-101129
CCn1nc(c(c1CC(=O)C1CC2C(C1)C2)Cl)CC	PC-id_115778573	280.793	PHQYOAZTGGULSY-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101130
NNC(C1C2C1CCC2)Cc1cc(Cl)ccc1OC	PC-id_105297615	280.793	XZDKPRKWZYKPID-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101131
NNC(C1C2C1CCCC2)c1ccc(c(c1)OC)Cl	PC-id_105320824	280.793	PJVOFCBOWXTVQM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101132
NNC(C1CC2C(C1)C2)Cc1cc(Cl)ccc1OC	PC-id_113700728	280.793	ZJVZBYWQTZUFGN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101133
NNC(c1cc(Cl)ccc1OC)C1C2C1CCCC2	PC-id_105300915	280.793	BAKUUWNUTSJQFH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101134
Clc1cc2N(N(CCCCC)CCCCC)c2cc1	PC-id_19708539	280.836	XDIGVLQEWRRWOA-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-101135
ClCC1(CC2C(C2)C1)Cc1nn(cc1)C(CC)CC	PC-id_80473392	280.836	UUGSSUNNWFKVPY-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101136
BrC1(Br)C2C1(C(=O)OC2)C#N	PC-id_73015808	280.902	CLBHXHBSYCKYJJ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-101137
BrC1(Br)[C@H]2[C@@]1(C(=O)OC2)C#N	PC-id_11572723	280.902	CLBHXHBSYCKYJJ-NQXXGFSBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-101138
BrC1CC2(OC2CC1Br)C#N	PC-id_12686969	280.945	RXRSJVAPVXUWST-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101139
Br[13C](=C[C@@]12[C@@H](C1)CCC2=O)Br	PC-id_11780945	280.949	BOZCYNWRBATGEL-YWZPYHOASA-N	00100010000000000000010000000000000000000000000000000000	22-01-101140
C1=CC(=CN=C1)CC(=O)C23C=CC(=CC2(O3)Cl)Cl	PC-id_154145799	281.001	AOXYWXYDGPONBH-UHFFFAOYSA-N	00100000000011101000010000000000000000000000000000000000	22-01-101141
C1[C@H]2CC2N[C@@H]1C(=O)NC3=NC(=CC=C3)Br	PC-id_147215752	281.016	CGBRVJPEIRCWIL-QUFPSDLASA-N	00100010000000101000010000000000000000000000000000000000	22-01-101142
C[C@H]1CC2(CI2N1C)CC(C)C	PC-id_147812417	281.064	HNQDPHRXWNYMEI-RGURZIINSA-N	00100010000000000001010000000000000000000000000000000000	22-01-101143
CNC(=O)C1C2C1(CNC2)S(=O)(=O)C3=CN=CC=C3	PC-id_153573786	281.083	IDSLIGGHGHRIRN-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-101144
c1cc(ccc1CC(=O)N)OC1C(C(C2C(O2)O1)O)O	PC-id_163591285	281.09	GPSSVXLKPDQDQH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101145
CC(C)(C)OC(=O)N[C@]1(C=C[C@@H]2[C@H]1[C@H]2C(=O)[O-])C(=O)[O-]	PC-id_154463042	281.091	BFMQCRLURCXBLI-NDPIOBCDSA-L	00100011000000000000010000000000000000000000000000000000	22-01-101146
ICCNC(=O)C12COCC1C2	MCULE-6477700741	281.091	KQAPUHHJDXOJAP-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-101147
ICCNC(=O)C1C2C1COC2	EMOLS-id_262232719	281.091	CWAPMJUCZIPJJS-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-101148
IOC(=O)C12C(C1)CN(CC2)C	PC-id_78057583	281.091	VLUOEBGTMAAENF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101149
IOC(=O)[C@]12CCN(C[C@@H]2C1)C	SCHEMBL14709637,PC-id_71264930	281.091	VLUOEBGTMAAENF-POYBYMJQSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101150
C[C@H](C1=C(C(=CC=C1)Cl)F)NC(=O)C2CC3CC3C2	PC-id_161688818	281.098	XENNHDXFOGYVII-XUHYKBHQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101151
C[C@@H](CC(=O)[C@@H]1C[C@H]2C[C@H]2N1)C3=C(C(=CC=C3)Cl)F	PC-id_160196187	281.098	RBEAJSIBWONFMI-ZFWZSOMGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-101152
Brc1ccc(nc1)CN1C(=O)C2C(C1=O)C2	PC-id_104809324	281.105	QBIRTNYKRSUMBF-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-101153
Brc1cncc(c1)CN1C(=O)C2C(C1=O)C2	PC-id_104809322	281.105	PGUVRHPCUCXUEY-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-101154
NC12ON1C=CC=C2Oc1ccc(cc1)Br	PC-id_145793048	281.105	BOFDAJQJOWEYIF-UHFFFAOYSA-N	00100000000011110001010000000000000000000000000000000000	22-01-101155
C1C2CC2(CC1NS(=O)(=O)C3=CC=CC=C3)CCO	PC-id_153816752	281.109	IKIDYLFTJKHBFB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101156
CCOC(=O)C(C1OC(=O)C2C1C2(C)C)(Cl)Cl	PC-id_13053732,SCHEMBL11184340	281.132	JLSNDVCWSLNFIK-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-101157
ICCCN1CC[C@H]2[C@](C1)(O)C2	EMOLS-id_313561634	281.134	PAUDIPRSYCCMAP-BDAKNGLRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101158
CC(C)C1C2C1CN(C2)CC(C3=CC=C(C=C3)Cl)F	PC-id_154985101	281.135	GRYDTHYPKICLJB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-101159
C1CC(=CC=C1)[S+](C1=CC2CC2CC1)c1ccccc1	PC-id_163710594	281.136	KIWRSZSLSXZPMU-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-101160
O=C(N1C(C2C(C2C1)(C)C)CC(=O)OC)C[B]OCN	PC-id_77806216	281.136	QJCOPYIJBGJOMH-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-101161
O=C(N1C(C2C([C@H]2C1)(C)C)CC(=O)OC)C[B]OCN	PC-id_70264033	281.136	QJCOPYIJBGJOMH-QTZUAFFRSA-N	00100010000000000000010000000000000000000000000000000000	22-01-101162
C1CCC(C(C1)C(=O)[O-])C(=O)OCC2CCC3C(C2)O3	PC-id_154262426	281.139	CIOQNKPYEKUWTC-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-101163
C1=C(C(C2(C(C1=O)O2)C(=O)N)O)OC(=O)C(F)(F)F	SCHEMBL484243,PC-id_87114977	281.142	CGMHADCEBUOJRN-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-101164
Brc1ccc(C(=O)NC2C3C2CNC3)cc1	PC-id_43594412	281.148	YLCXCKWASOKYPP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-101165
Brc1ccc(NC(=O)C2C3C2CCC3)nc1	PC-id_79777784	281.148	SSWHTLMHKBMXQG-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101166
Brc1ccc(NC(=O)C2CC3C(C3)C2)nc1	PC-id_80467542	281.148	MHPZXADMUXCVDN-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101167
Brc1cc(C(=O)NC2C3C2CNC3)ccc1	PC-id_43594276	281.148	JAOGEHBSLQECAZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-101168
Brc1c(C(=O)NC2C3C2CNC3)cccc1	PC-id_43594408	281.148	KKSRUYDZKWLVBU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-101169
Brc1c(NC(=O)C2C3C2CCC3)ccnc1	PC-id_81758354	281.148	PIQFGLHZMMWBSY-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101170
Brc1c(NC(=O)C2C3C2CCC3)nccc1	PC-id_79673164	281.148	QHBCWOFSQLEVBJ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101171
Brc1c(NC(=O)C2CC3C(C3)C2)ccnc1	PC-id_81758306	281.148	ICKLIQJQDLYLTF-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101172
Brc1c(NC(=O)C2CC3C(C3)C2)nccc1	PC-id_80467574	281.148	KNOUNLGUYATQEK-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101173
Brc1nc(NC(=O)C2C3C2CCC3)ccc1	PC-id_79673845	281.148	JDBPHNKJFTVXIO-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101174
Brc1nc(NC(=O)C2CC3C(C3)C2)ccc1	PC-id_80467540	281.148	TVGVJMMMKRGETC-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101175
NC1C2C1CN(C2=O)Cc1cccc(c1)Br	PC-id_115009625	281.148	XXOAIOQBFAGJST-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-101176
NC1C2C1CN(C2=O)Cc1ccccc1Br	PC-id_115009654	281.148	UFYHZXMEHLFQNZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-101177
NC1C2C1CN(C2=O)Cc1ccc(cc1)Br	PC-id_115009682	281.148	WFVFOYSUNKUJJA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-101178
O=C(C1C2C1CCC2)Nc1ccc(nc1)Br	PC-id_103789476	281.148	LFGIZMDJVYKMFI-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101179
O=C(C1C2C1CCC2)Nc1cccnc1Br	PC-id_108195253	281.148	VUCDDSFVXKKJES-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101180
O=C(C1C2C1CCC2)Nc1nccc(c1)Br	PC-id_102674164	281.148	YJWKFHJFFUVEDX-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101181
O=C(C1CC2C(C1)C2)Nc1cccnc1Br	PC-id_108194853	281.148	UPYKEXCBFMNHIK-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101182
O=C(C1CC2C(C1)C2)Nc1ccc(nc1)Br	PC-id_108194861	281.148	UVZWRINHDRMMOF-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101183
O=C(C1CC2C(C1)C2)Nc1nccc(c1)Br	PC-id_102820637	281.148	SGOJAPQWXYWKJZ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-101184
O=C([C@@H]1C[C@@H]2[C@H](N1)C2)Nc1cccc(c1)Br	PC-id_141698581	281.148	BGGMLROPDABIMX-ONOSFVFSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-101185
ISN1CCC2C(C1)/C/2=CC	PC-id_139548743,SCHEMBL21424819	281.157	OYSILRSPGAKFOE-KXFIGUGUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101186
CC(=O)CCC(=O)C12CC1CN(C2)C(=O)OC(C)(C)C	PC-id_160126022	281.163	OXLHJKDIZGZAST-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-101187
Brc1c(CC2(CC3C(C3)C2)CO)cccc1	PC-id_80472874	281.188	FVFAXOZWJSQIKL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101188
Brc1cc(CC2(CC3C(C3)C2)CO)ccc1	PC-id_80472960	281.188	QFQDUCAVUCQRKO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101189
Brc1cc(CC2(O)C3C2CCCC3)ccc1	PC-id_79331469	281.188	LKFQCCYMDLGFQZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101190
Brc1ccc(CC2(CC3C(C3)C2)CO)cc1	PC-id_80472986	281.188	UNCSBAADDFSUCU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101191
Brc1ccc(CC2(O)C3C2CCCC3)cc1	PC-id_79330962	281.188	VHCOJSWDWOMBLN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101192
Brc1ccc(CC(O)C2C3C2CCC3)cc1	PC-id_81638384	281.188	ZWDBBUFBZRXOQI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101193
Brc1ccc(CC(O)C2CC3C(C3)C2)cc1	PC-id_80472126	281.188	LPLLCWCKBVMDHP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101194
Brc1cc(CC(O)C2C3C2CCC3)ccc1	PC-id_81637875	281.188	RRZZAXNTLKVLGW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101195
Brc1ccc(C(O)C2C3C2CCCC3)cc1	PC-id_81644290	281.188	BZGBEIHNZNQPIH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101196
Brc1cc(CC(O)C2CC3C(C3)C2)ccc1	PC-id_80471892	281.188	UQNFXXHOVBUWKM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101197
BrC1([C@H]2[C@@H]1CCCC2)[C@H](O)c1ccccc1	PC-id_11859658	281.188	VCLHWKWUHGBUCU-RBKKPWLPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101198
BrC1([C@H]2[C@@H]1CCCC2)[C@@H](O)c1ccccc1	PC-id_11864331	281.188	VCLHWKWUHGBUCU-WJLOJVBCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-101199
BrC(C1C2C1CCC2)c1ccc(OC)cc1	PC-id_81637645	281.188	MXYNMXALDRRYDF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-101200
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c1(CN2CC3C(C3)(CC)C2)nc([nH]c1Cl)CCCC	MCULE-4252073247,EMOLS-id_317853878	281.824	SNRQRTAANPBUNR-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-101777
CCc1nn(c(c1Cl)CC(C1C2C1CCCC2)N)C	PC-id_104998608	281.824	PUGWGNBDQVMHRD-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-101778
CCCCc1nc(CN2C[C@H]3C[C@@]3(CC)C2)c(Cl)[nH]1	ZINC22_1772811139	281.824	SNRQRTAANPBUNR-ABAIWWIYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-101779
CCCCc1nc(CN2C[C@H]3C[C@]3(CC)C2)c(Cl)[nH]1	ZINC22_1772811140	281.824	SNRQRTAANPBUNR-IAQYHMDHSA-N	00100010100000000001010000000000000000000000000000000000	22-01-101780
CCCCc1nc(CN2C[C@@H]3C[C@@]3(CC)C2)c(Cl)[nH]1	ZINC22_1772811141	281.824	SNRQRTAANPBUNR-NHYWBVRUSA-N	00100010100000000001010000000000000000000000000000000000	22-01-101781
CCCCc1nc(CN2C[C@@H]3C[C@]3(CC)C2)c(Cl)[nH]1	ZINC22_1772811142	281.824	SNRQRTAANPBUNR-XHDPSFHLSA-N	00100010100000000001010000000000000000000000000000000000	22-01-101782
CCCn1ncc(c1C(C1C2C1CCC2)NCC)Cl	PC-id_105042723	281.824	XZSBLVSVNNFTRA-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101783
CCCn1ncc(c1C(C1C2C1CCCC2)NC)Cl	PC-id_105042506	281.824	CAORXIFHMWBSIT-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-101784
CCCn1ncc(c1C(C1CC2C(C1)C2)NCC)Cl	PC-id_105042514	281.824	WYSVFFRCYKTGMO-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101785
CCCNC(c1c(Cl)cnn1C)C1C2C1CCCC2	PC-id_105046430	281.824	CNPOBPUEURALBO-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-101786
CCCNC(c1c(Cl)cnn1CC)C1C2C1CCC2	PC-id_105040551	281.824	MWUQHWNYTQCJTF-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101787
CCCNC(c1c(Cl)cnn1CC)C1CC2C(C1)C2	PC-id_105040488	281.824	GJGJQPYYZBYUOH-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101788
CCn1nc(c(c1CC(C1C2C1CCC2)N)Cl)CC	PC-id_105001347	281.824	AKXKEJBCPWZZEX-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101789
CCn1nc(c(c1CC(C1C2C1CCCC2)N)Cl)C	PC-id_104998910	281.824	NQAFJOZDHVEXFY-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-101790
CCn1nc(c(c1CC(C1CC2C(C1)C2)N)Cl)CC	PC-id_105001414	281.824	OZQFWUNRUUDZQJ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101791
CCNC(C1C2C1CCC2)Cc1c(C)nn(c1Cl)C	PC-id_105035097	281.824	KMIDAGKLVZPCIN-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101792
CCNC(C1C2C1CCC2)Cc1n(C)nc(c1Cl)C	PC-id_104996777	281.824	NSYIXTWLGBJKGJ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101793
CCNC(C1CC2C(C1)C2)Cc1c(C)nn(c1Cl)C	PC-id_105034896	281.824	HGMFWQXKDPZGNR-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101794
CCNCC1(CC2C(C1)C2)Cc1c(C)nn(c1Cl)C	PC-id_116071013	281.824	KQEGUCGYSKVHLA-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101795
CCNC(C1CC2C(C1)C2)Cc1n(C)nc(c1Cl)C	PC-id_104996580	281.824	DKMPAKUDEQZBBP-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101796
CCNC(c1c(Cl)cnn1CC)C1C2C1CCCC2	PC-id_105040471	281.824	IXVDVPGFDGOOOP-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-101797
CCNC(c1c(Cl)cnn1C(C)C)C1C2C1CCC2	PC-id_105041863	281.824	XDYQWPIBCNCKLR-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101798
CCNC(c1c(Cl)cnn1C(C)C)C1CC2C(C1)C2	PC-id_105041665	281.824	AELUVAFGXVPBKO-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101799
Clc1c(n(nc1C)C)CC1(CC2C(C2)C1)CNCC	PC-id_80469947	281.824	JFKSKFNFAPPOHY-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101800
Clc1c(n(nc1CC)C)CC1(CC2C(C2)C1)CNC	PC-id_80469744	281.824	DIDCEPRPUWTSSK-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101801
Clc1c(n(nc1C)CC)CC1(CC2C(C2)C1)CNC	PC-id_80469814	281.824	PJQOGARQZMMPLP-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101802
Clc1c(n(nc1CC)CC)CC1(CC2C(C2)C1)CN	PC-id_80469516	281.824	NYJHOMUZRNBCBT-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101803
CNC(C1C2C1CCC2)Cc1n(CC)nc(c1Cl)C	PC-id_104998646	281.824	AYMOBEOSOJQUJU-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101804
CNC(C1C2C1CCC2)Cc1n(C)nc(c1Cl)CC	PC-id_104998345	281.824	RXIRIMZXXRRUFU-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101805
CNC(C1C2C1CCCC2)Cc1c(C)nn(c1Cl)C	PC-id_105034889	281.824	OQMUYWKXZOEFGP-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-101806
CNC(C1C2C1CCCC2)Cc1n(C)nc(c1Cl)C	PC-id_104996572	281.824	XJULGKHSOIQNFQ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-101807
CNC(C1CC2C(C1)C2)Cc1n(CC)nc(c1Cl)C	PC-id_104998652	281.824	HCLMTKUJUQMZLC-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101808
CNC(C1CC2C(C1)C2)Cc1n(C)nc(c1Cl)CC	PC-id_104998351	281.824	JJZLMLVFMUGEFV-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-101809
CNC(c1c(Cl)cnn1C(C)C)C1C2C1CCCC2	PC-id_105041658	281.824	BWJZNEMUBRTOIK-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-101810
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Clc1sc(CC2(CC3C(C3)C2)CNC2CC2)cc1	PC-id_80471181	281.844	ZXQOELNMLDGAPK-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-101812
BrC1(Br)C2C1C(=O)C(=CC2)O	PC-id_13569089	281.929	ZZHFEJPNAMPUPX-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-101813
BrC1=CC2(O)OC2C(=C1C)Br	PC-id_141273452	281.929	PWNDLBFNTYKCHD-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-101814
ClC1(Cl)C2C1CCCC2P(=O)(Cl)Cl	PC-id_86084600	281.932	BTQJIPABABGNCV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101815
Br[Al](Br)C1C2C1CCCC2	PC-id_13805706	281.952	MKDIWLONHFGGBI-UHFFFAOYSA-L	00100000000010000000010000000000000000000000000000000000	22-01-101816
BrC1(Br)C2C1CCC(=O)CC2	PC-id_24976980	281.972	HURYYJRSQUDGFL-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-101817
BrC1(CC2OC2CC1Br)C=C	PC-id_71416046	281.972	CVBYQPRINKHAAC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101818
BrC1CC2(OC2CC1Br)C=C	PC-id_71416049	281.972	QIBBVSLIIWVWKA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101819
C1=CC2(C(O2)(C=C1Cl)Cl)C(=O)CC3=NC=CN=C3	PC-id_154191781	281.996	FGFKHRLWGPHZAD-UHFFFAOYSA-N	00100000000011100001010000000000000000000000000000000000	22-01-101820
BrC1(Br)C2(C1(CCCC2)C)C	PC-id_14530326,TIMTEC87823	282.015	BVMKAEGLNCZEBB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101821
BrC1(Br)C2C1CCC(C2)(C)C	PC-id_85914208	282.015	AFNUWNHWTQXBTH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101822
BrC1(Br)C2(C1CCCCC2)C	PC-id_13023905	282.015	VMZJJSJYYZSTHA-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-101823
BrC1(Br)[C@]2([C@]1(C)CCCC2)C	PC-id_95564775	282.015	BVMKAEGLNCZEBB-OCAPTIKFSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101824
BrC1(Br)[C@]2([C@@]1(C)CCCC2)C	PC-id_98162572	282.015	BVMKAEGLNCZEBB-HTQZYQBOSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101825
BrC1(Br)[C@@]2([C@]1(C)CCCC2)C	PC-id_98162573	282.015	BVMKAEGLNCZEBB-YUMQZZPRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101826
BrC1(Br)C2C1CCCCCC2	PC-id_136934,SCHEMBL373372,TIMTEC473632	282.015	UDZVXFNKFQAZEC-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-101827
BrC1(Br)[C@H]2CCCCCC[C@@H]12	LI_151045,NSC155650,PC-id_11266024,CoCoCo_5492319	282.015	UDZVXFNKFQAZEC-OCAPTIKFSA-N	00100000000000000100010000000000000000000000000000000000	22-01-101828
BrC1(Br)[C@@H]2[C@@H]1CCCCCC2	PC-id_71363609	282.015	UDZVXFNKFQAZEC-YUMQZZPRSA-N	00100000000000000100010000000000000000000000000000000000	22-01-101829
BrC1CCC2C(C2)CCC1Br	PC-id_14201800	282.015	PKUMYEBIHSSTHH-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-101830
Br[C@@H]1CCC2C(C2)CC[C@H]1Br	PC-id_10684262	282.015	PKUMYEBIHSSTHH-GEPGNKONSA-N	00100000000000000100010000000000000000000000000000000000	22-01-101831
CC12C[C@@H]([C@H](CC1(C2)C)Br)Br	PC-id_134933922	282.015	GEGLIFZJEKGKMY-MSIFESELSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101832
CC[C@]12CCCC[C@H]1C2(Br)Br	PC-id_100983932	282.015	SOCPHNAVBWPZNF-SFYZADRCSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101833
Fc1cccc(c1)OC1=CC2(C(C(=C1)F)(C2)B(O)O)F	PC-id_143678734	282.023	YQHWFPHGPNCLSV-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-101834
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CC1=CC(=CC(=C1NN)F)OC2[C@@H]3C2(C(=CC=C3)F)F	PC-id_154018678	282.098	FMUBAMQSWODJOJ-BZFQTPOWSA-N	00100000000011110000010000000000000000000000000000000000	22-01-101847
CCCCO[Si](CCC)(C1=C2C(=CC=C1)S2)OC	PC-id_153973146	282.111	FNAYHPUUCFLUND-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-101848
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O=C([C@H]1NC[C@@H]2[C@H]1C2)Nc1cccc(n1)Br	SCHEMBL18591208	282.136	OWRMVCFOHXVPJR-XSSZXYGBSA-N	00100010000000101000010000000000000000000000000000000000	22-01-101865
O=C([C@@H]1NC[C@H]2[C@@H]1C2)Nc1cccc(n1)Br	SCHEMBL18591211	282.136	OWRMVCFOHXVPJR-MHYGZLNHSA-N	00100010000000101000010000000000000000000000000000000000	22-01-101866
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C1CCC(C(C1)C(=O)O)C(=O)OCC2CCC3C(C2)O3	PC-id_154262427	282.147	CIOQNKPYEKUWTC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-101869
C1C2C1CN(C2)CC3=CC=C(C=C3)N4C=CC(=NC4=O)N	PC-id_154650727	282.148	FKGVPJFLAGSFNX-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-101870
C1[C@H]2[C@@H]1CN(C2)CC3=CC=C(C=C3)N4C=CC(=NC4=O)N	PC-id_154650391	282.148	FKGVPJFLAGSFNX-BETUJISGSA-N	00100010000000110001110000000000000000000000000000000000	22-01-101871
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[B][C@H]1C(C(C(O1)COCC)O)OC12CC1CC[C@H]2OC	PC-id_163660224	282.164	ZSNDAQYHNWBNFK-MVMYJBCRSA-N	00100010000010000000010000000000000000000000000000000000	22-01-101875
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O=C1N(C(=O)C2C(C12)(C)C)CC(NCC)(C)C(=O)OC	PC-id_64836073	282.335	VDWBBTPWSJGZHY-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102065
O=C1N(C(=O)C2C(C12)(C)C)CC(NC(C)C)C(=O)OC	PC-id_64837214	282.335	TVMOOJNANZMYBJ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102066
O=C1N(C(=O)C2C(C12)(C)C)CC(NCCC)C(=O)OC	PC-id_64837384	282.335	USNPJFCBNSTWTF-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102067
O=C1N(C(=O)C2C(C12)(C)C)CC(NCC)C(=O)OCC	PC-id_64837212	282.335	VUEWHINCCHVLQN-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102068
O=C1N(C(=O)C2C(C12)(C)C)CC(NC)(C)C(=O)OCC	PC-id_64837567	282.335	SSRVAYHYQMPOKC-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102069
O[C@@H]1CN(C[C@H]1N1CCOCC1)C(=O)[C@@H]1[C@@H]2[C@H]1COC2	EMOLS-id_319668857	282.335	YRHBMPRELNHQFC-MLGHIDQZSA-N	00100010000010000001110000000000000000000000000000000000	22-01-102070
O(C(=O)C(=C1N2C(C2)CC1)NC(=O)OC(C)(C)C)CC	PC-id_85093637	282.335	WUZNDXGVNRZIJA-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102071
O(C(=O)/C(=C/1N2[C@@H](C2)CC1)/NC(=O)OC(C)(C)C)CC	PC-id_10016630	282.335	WUZNDXGVNRZIJA-JLUAHUGYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102072
O(C(=O)/C(=C/1N2[C@H](C2)CC1)/NC(=O)OC(C)(C)C)CC	PC-id_10085182	282.335	WUZNDXGVNRZIJA-UYGVMNIHSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102073
O=C(OC(C)(C)C)NC1C2C1N([C@@H](C2)C(=O)C)C(=O)C	PC-id_143012037	282.335	HOIBURVXLWNKLR-GHNGPNRHSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102074
O=C(OC(C)(C)C)NCCN1C(=O)C2C(C1=O)C2(C)C	PC-id_139516832,SCHEMBL21389173	282.335	DUNWUQIRUXHZGV-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102075
O(C(=O)N1C[C@H]2[C@H](C2/C=C(/[N+](=O)[O-])CC)C1)C(C)(C)C	PC-id_59033923	282.335	QYCLSGOMHBZTJJ-VOUCPFQQSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102076
O(C(=O)N1C[C@@H]2[C@@H](C2C=C([N+](=O)[O-])CC)C1)C(C)(C)C	PC-id_69666024	282.335	QYCLSGOMHBZTJJ-YOGCLGLASA-N	00100010000000000000010000000000000000000000000000000000	22-01-102077
ClC1=C(Cl)C2(C(C(=C1Cl)Cl)(O2)O)Cl	PC-id_141520771	282.336	WBNYJGXOKGTUJT-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-102078
CC(C)c1cnc(c2ccc(NC(=O)C34CC3C4)cc2)o1	ZINC22_2325898204	282.337	WTHZKESTJYACDV-UHFFFAOYSA-N	00101000100000110001110000000000000000000000000000000000	22-01-102079
CC(=O)c1[nH]nc(c1)c1ccc(cc1)OC1CC2C(C1)C2	SCHEMBL19533579	282.337	HAISUTUKCFHIII-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102080
N#CC1(CC(C1)NC(=O)[C@@]12COC[C@@H]1C2)c1ccccc1	EMOLS-id_319508161	282.337	KBLIIPUGQRVEFY-DXCHVLGVSA-N	00101010000000110000110000000000000000000000000000000000	22-01-102081
N#CC1(CC(C1)NC(=O)[C@@H]1[C@@H]2[C@H]1COC2)c1ccccc1	EMOLS-id_319584873	282.337	ZDHXAKRONZAQNO-PRMLZIFMSA-N	00101010000000110000110000000000000000000000000000000000	22-01-102082
O=C1N(C(=O)C2C(C12)(C)C)Cc1ccc(cc1)C#CCN	PC-id_64837128	282.337	SFEPXAYPAXYJKE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-102083
O=C1N(C(=O)C2C(C12)(C)C)Cc1c(cccc1)C#CCN	PC-id_64837130	282.337	OVAHAOZSVPUBON-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-102084
O=C1N(C(=O)C2C(C12)(C)C)Cc1cc(ccc1)C#CCN	PC-id_64837316	282.337	WOFJSDPBCHRWIW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-102085
OCC12CN(CC1C2)C(=O)c1ccccc1n1cccc1	EMOLS-id_318724625	282.337	QDTUPHFOKIAINH-UHFFFAOYSA-N	00100010110000110000110000000000000000000000000000000000	22-01-102086
O=C(C1C2C1CCC2)NCc1ccc(cc1)c1ocnc1	EMOLS-id_278368967	282.337	RJNQLFGUEDNPSP-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102087
O=C(Nc1ccccc1c1ncco1)CC1CCC2C1C2	EMOLS-id_316676671	282.337	VWYUQFIZPSIHHW-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102088
O=C(Nc1ccc(cc1)c1nc(oc1)C)C1CC2C(C2)C1	PC-id_80470328	282.337	RTHMSYFCMSQVHI-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102089
O=C(N[C@@H]1[C@H]2COC[C@@H]12)c1c[nH]cc1Cc1ccccc1	MCULE-8439703289,ZINC22_935761242,EMOLS-id_316995489	282.337	IRDDPSKGUGMSNO-ZSHCYNCHSA-N	00100010110000110000010000000000000000000000000000000000	22-01-102090
OC(=O)C1(CC2C(C2)C1)Cc1cn(nc1)c1ccccc1	PC-id_80468324	282.337	OXBFRIBKQOUDGZ-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102091
OC(=O)C1(CC2C(C2)C1)Cc1nn(cc1)c1ccccc1	PC-id_80468055	282.337	RCYPNEQULUMUDF-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102092
COC(=O)N[C@H](C(=O)N1C2CC2C[C@H]1C(=N)N)C(C)C	SCHEMBL18871021	282.339	KCWGLPRMBCPLAD-QLEHZGMVSA-N	00100010000000000000010000000000000000000000000000000000	22-01-102093
NC(=O)C(C(NC(=O)[C@H]1NC[C@H]2[C@@H]1N2)CC1CCC1)O	SCHEMBL16572727,PC-id_117956840	282.339	HQEDJJCKZPGUDI-TUFWFXDWSA-N	00101010000000000000010000000000000000000000000000000000	22-01-102094
C12(CC)CN(CC1C2)C(=O)c1cccc(c1)n1cnnc1	EMOLS-id_317905864,MCULE-2454327470	282.34	WECPMBAGCUXHDD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102095
C1C2C(C2N=C2CC(=O)NC=N2)CN1Cc1ccccc1	PC-id_137175543	282.34	OQWHRRKTDPIFGP-UHFFFAOYSA-N	00100010000011110001010000000000000000000000000000000000	22-01-102096
c1(cc([nH]n1)c1ccccn1)C(=O)N1CC2C(C2)(CC)C1	MCULE-9104690940,EMOLS-id_323955320,PC-id_145934617	282.34	VHOFBPMDGSCSEU-UHFFFAOYSA-N	00100010100000101001110000000000000000000000000000000000	22-01-102097
CCC12CC1CN(C2)C(=O)c1ccccc1c1nc[nH]n1	EMOLS-id_317851318,MCULE-4902573533	282.34	KGGTZXLEPCMRCU-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102098
CC[C@]12C[C@@H]1CN(C(=O)c1cc(c3ccccn3)[nH]n1)C2	ZINC22_1857696301	282.34	VHOFBPMDGSCSEU-BDJLRTHQSA-N	00100010100000101001110000000000000000000000000000000000	22-01-102099
CC[C@@]12C[C@@H]1CN(C(=O)c1cc(c3ccccn3)[nH]n1)C2	ZINC22_1857696302	282.34	VHOFBPMDGSCSEU-BZNIZROVSA-N	00100010100000101001110000000000000000000000000000000000	22-01-102100
CC[C@]12C[C@H]1CN(C(=O)c1cc(c3ccccn3)[nH]n1)C2	ZINC22_1857696303	282.34	VHOFBPMDGSCSEU-MEDUHNTESA-N	00100010100000101001110000000000000000000000000000000000	22-01-102101
CC[C@@]12C[C@H]1CN(C(=O)c1cc(c3ccccn3)[nH]n1)C2	ZINC22_1857696304	282.34	VHOFBPMDGSCSEU-ZBEGNZNMSA-N	00100010100000101001110000000000000000000000000000000000	22-01-102102
CC[C@]12C[C@@H]1CN(C(=O)c1ccccc1c1nc[nH]n1)C2	ZINC22_1772810329	282.34	KGGTZXLEPCMRCU-BDJLRTHQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102103
CC[C@@]12C[C@@H]1CN(C(=O)c1ccccc1c1nc[nH]n1)C2	ZINC22_1772810330	282.34	KGGTZXLEPCMRCU-BZNIZROVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102104
CC[C@]12C[C@H]1CN(C(=O)c1ccccc1c1nc[nH]n1)C2	ZINC22_1772810331	282.34	KGGTZXLEPCMRCU-MEDUHNTESA-N	00100010100000110001110000000000000000000000000000000000	22-01-102105
CC[C@@]12C[C@H]1CN(C(=O)c1ccccc1c1nc[nH]n1)C2	ZINC22_1772810332	282.34	KGGTZXLEPCMRCU-ZBEGNZNMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102106
CC[C@@]12C[C@H]1CN(C(=O)c1cccc(n3cnnc3)c1)C2	ZINC22_1772819492	282.34	WECPMBAGCUXHDD-BBRMVZONSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102107
CC[C@@]12C[C@@H]1CN(C(=O)c1cccc(n3cnnc3)c1)C2	ZINC22_1772819493	282.34	WECPMBAGCUXHDD-CJNGLKHVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102108
CC[C@]12C[C@@H]1CN(C(=O)c1cccc(n3cnnc3)c1)C2	ZINC22_1772819494	282.34	WECPMBAGCUXHDD-CZUORRHYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102109
CC[C@]12C[C@H]1CN(C(=O)c1cccc(n3cnnc3)c1)C2	ZINC22_1772819495	282.34	WECPMBAGCUXHDD-XJKSGUPXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102110
Cn1cc(c(n1)c1cccnc1)C(=O)NC1CCC2C1C2	EMOLS-id_318611495	282.34	UQFJEHSMCJMUNE-UHFFFAOYSA-N	00100010100010101001110000000000000000000000000000000000	22-01-102111
Cn1ncc(c1)c1ncccc1C(=O)NC1CCC2C1C2	EMOLS-id_318739419	282.34	YMTBTMIERLGHPU-UHFFFAOYSA-N	00100010100010101001110000000000000000000000000000000000	22-01-102112
N#CCC12CC1(C2)C(=O)c1cccnc1N1CCNCC1	PC-id_143573252	282.34	UQSMWLIHSPLYID-UHFFFAOYSA-N	00101000000010101001110000000000000000000000000000000000	22-01-102113
NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1ccccc1n1cccn1)C2	PC-id_67081604,SCHEMBL1572541	282.34	URIGQUNSVVKBPQ-XUJVJEKNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102114
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1n1cccn1	SCHEMBL2926967,PC-id_68443847	282.34	QEAQRSWULATHFD-UXIGCNINSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102115
NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccccc1n1cccn1	SCHEMBL3415792,PC-id_68634039	282.34	QEAQRSWULATHFD-CORIIIEPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102116
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccnn1c1ccccc1	PC-id_68445324,SCHEMBL2930820	282.34	SSDCZZOBNYVSSO-UXIGCNINSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102117
O=C(C12CNCC1C2)Nc1cnn(c1)Cc1ccccc1	MCULE-4941070827	282.34	FZSNNFAQKIJKTI-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-102118
O=C(C1C2C1CCC2)Nc1ccccc1Cn1cncn1	EMOLS-id_317933254	282.34	XZPMDKJVTBNQRX-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-102119
O=C(C1C2C1CCC2)Nc1cccnc1c1cnn(c1)C	EMOLS-id_318499480	282.34	CDHBXLWDYVOUSU-UHFFFAOYSA-N	00100010100010101001110000000000000000000000000000000000	22-01-102120
O=C(C1C2C1CCC2)Nc1cnccc1n1ccnc1C	EMOLS-id_318665072	282.34	AXBMAQYQXXTMEL-UHFFFAOYSA-N	00100010100010101001110000000000000000000000000000000000	22-01-102121
O=C(C1C2C1CCC2)Nc1nnn(c1)Cc1ccccc1	EMOLS-id_100121349	282.34	IFJNKCYKFCQRHR-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-102122
O=C(C1C2C1CCC2)NCc1ccc(cc1)c1n[nH]cn1	EMOLS-id_320195806,MCULE-2709401017	282.34	OWPGRVIRGKRVPF-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102123
O=C(C1C2C1CCC2)NCc1ncnn1c1ccccc1	EMOLS-id_100102188	282.34	DDJNFNAVONCVMU-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102124
O=C(C1C2C1CCCC2)Nc1cccc(c1)n1nncc1	EMOLS-id_100546239,MCULE-4994448548	282.34	ACKLYBCCWCVVCH-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-102125
O=C(C1C2C1CCCC2)Nc1cccnc1n1cccn1	PC-id_72113063,MCULE-8133663401,EMOLS-id_42916962	282.34	YAFNZYPNSKZXST-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-102126
O=C(C1CC2C(C1)C2)NCc1ccc(cc1)c1n[nH]cn1	EMOLS-id_319050555	282.34	FKGSVHGXKZRHLR-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102127
O=C(c1ccc(cc1)c1ncn[nH]1)N1CC2C(C1)C2(C)C	EMOLS-id_100167215	282.34	SCQWTRVRHWCHFJ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102128
O=C(c1ccc(cc1)n1cnnc1)N1CC2C(C1)C2(C)C	EMOLS-id_99680711	282.34	IKXXFYMCIGQWPJ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102129
O=C(c1ccccc1n1nncc1)NC1CCCC2C1C2	EMOLS-id_318324193	282.34	IVVUBGGRRLVPOE-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-102130
O=C(C1[C@@H]2[C@H]1CCCC2)Nc1cccnc1n1cccn1	PC-id_95784811	282.34	YAFNZYPNSKZXST-ONXXMXGDSA-N	00100000100010101001110000000000000000000000000000000000	22-01-102131
O=C(c1[nH]c(nc1C)c1cccnc1)N[C@@]12CCC[C@@H]1C2	EMOLS-id_319126178	282.34	ZWLYEPBAPUPQBH-MLGOLLRUSA-N	00100010100010101001110000000000000000000000000000000000	22-01-102132
O=C(c1n[nH]c(c1)c1ccncc1)NC12CCCCC1C2	EMOLS-id_319122712	282.34	XTGKPESWMJYXLX-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-102133
O=C(c1n[nH]c(c1)c1ccncc1)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_319838681,MCULE-5384932849	282.34	FGONJHURMHFWRU-OJRHAOMCSA-N	00100000100010101001110000000000000000000000000000000000	22-01-102134
O=C([C@@H]1C[C@H]2[C@@H](C1)C2)NCc1ccc(cc1)c1n[nH]cn1	EMOLS-id_319050299	282.34	FKGSVHGXKZRHLR-WDNDVIMCSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102135
O=C([C@@H]1C[C@@H]2[C@H](N1)C2)Nc1nccn1Cc1ccccc1	EMOLS-id_318234058	282.34	OIUQEDMYZMVBAD-MCIONIFRSA-N	00100010100000110001010000000000000000000000000000000000	22-01-102136
BrC(C1CC2C(C2)C1)Cc1cc(F)ccc1	PC-id_80472252	283.179	KWXQMKLVKROZSB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-102632
O=C(N1C2C(C2)CC1CN)c1c(n2nccc2)cccc1	PC-id_77223058	282.34	URIGQUNSVVKBPQ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102137
O=C(N1C(C2C(C2)C1)CN)c1c(n2nccc2)cccc1	PC-id_77501080	282.34	QEAQRSWULATHFD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102138
O=C(N1C(C2C(C2)C1)CN)c1n(ncc1)c1ccccc1	PC-id_77501291	282.34	SSDCZZOBNYVSSO-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-102139
O=C(Nc1c(c2n(cnn2)C)cccc1)C1CC2C(C2)C1	PC-id_80470457	282.34	HUKPFBCLQZWCJV-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102140
O=C(Nc1ccc(cc1)c1n(C)cnn1)C1CC2C(C2)C1	PC-id_80469422	282.34	UXHSZEHVMORLEY-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102141
O=C(Nc1cc(ccc1)c1n(C)cnn1)C1CC2C(C2)C1	PC-id_80470095	282.34	JBTRBQMAFOMQAM-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102142
O=C(Nc1c(cccc1)c1nc([nH]n1)C)C1CC2C(C2)C1	PC-id_80469587	282.34	KFVWECQGVSXZNG-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102143
O=C(Nc1cc(ccc1)c1nc([nH]n1)C)C1CC2C(C2)C1	PC-id_80469922	282.34	SBYXVSVDGJPRRY-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-102144
O=C(Nc1cc(ccc1)Cn1ncnc1)C1CC2C(C2)C1	PC-id_80470268	282.34	CBCNEHHCTYPRBM-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-102145
O=C(Nc1ccc(cc1)Cn1ncnc1)C1CC2C(C2)C1	PC-id_80470785	282.34	YOCUANSCOADMCO-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-102146
O=C(Nc1cccc(n2ccnn2)c1)C1[C@H]2CCCC[C@H]12	ZINC22_120596664	282.34	ACKLYBCCWCVVCH-KBPBESRZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-102147
O=C(Nc1cccc(n2ccnn2)c1)C1[C@@H]2CCCC[C@@H]12	ZINC22_120596901	282.34	ACKLYBCCWCVVCH-ZIAGYGMSSA-N	00100000100010110001110000000000000000000000000000000000	22-01-102148
O=C(Nc1cccc(n2ccnn2)c1)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_246194746	282.34	ACKLYBCCWCVVCH-FICVDOATSA-N	00100000100010110001110000000000000000000000000000000000	22-01-102149
O=C(Nc1cccnc1n1cccn1)C1[C@@H]2CCCC[C@@H]12	PC-id_98205736,ZINC22_101401384	282.34	YAFNZYPNSKZXST-VXGBXAGGSA-N	00100000100010101001110000000000000000000000000000000000	22-01-102150
O=C(Nc1cccnc1n1cccn1)C1[C@H]2CCCC[C@H]12	ZINC22_101401375,PC-id_98205735	282.34	YAFNZYPNSKZXST-RYUDHWBXSA-N	00100000100010101001110000000000000000000000000000000000	22-01-102151
O=C(Nc1cccnc1n1cccn1)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_245499391	282.34	YAFNZYPNSKZXST-IMRBUKKESA-N	00100000100010101001110000000000000000000000000000000000	22-01-102152
O=C(Nc1ccc(nc1)n1c(ncc1)C)C1CC2C(C2)C1	PC-id_80469812	282.34	PYTQTDJBJHZTTB-UHFFFAOYSA-N	00100010100010101001110000000000000000000000000000000000	22-01-102153
O=C(Nc1c(n2c(ncc2)C)nccc1)C1CC2C(C2)C1	PC-id_80470260	282.34	ZLYBEZAYASPQBR-UHFFFAOYSA-N	00100010100010101001110000000000000000000000000000000000	22-01-102154
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CCn1nc(c(c1CC(C1C2C1CCC2)O)Cl)CC	PC-id_115815260	282.809	KIYRULNHKNESKO-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-102551
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Clc1c(n(nc1CC)CC)CC1(CC2C(C2)C1)CO	PC-id_80472805	282.809	CWDOQAWYLFGERP-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-102554
CCc1nn(c(c1Cl)CC(C1C2C1CCC2)NN)C	PC-id_105316864	282.812	CMGAZAGQOBQRAN-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-102555
CCc1nn(c(c1Cl)CC(C1CC2C(C1)C2)NN)C	PC-id_113702742	282.812	DNXNBLWDCPDKPQ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-102556
CCCn1ncc(c1C(C1C2C1CCCC2)NN)Cl	PC-id_113704829	282.812	VWYZIAAPLFPPKI-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-102557
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ClC/C=C/CCCC1[C@@H](C[C@H]2C([C@H]2CC1=O)(C)C)C	PC-id_11437537	282.849	GOLZANVJYCRWCF-ILSTUBFMSA-N	00100000000000000100010000000000000000000000000000000000	22-01-102566
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Br[C@@]12COC[C@H]1[C@@H]2COCc1ccccc1	PC-id_101933776	283.161	VMRUEZYWDMUXJM-RWMBFGLXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-102611
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CCn1ncc(c1C(=O)C1C2C1CCC2)Br	PC-id_115803697	283.164	VXQPNPZHVUODST-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-102615
CCn1ncc(c1C(=O)C1CC2C(C1)C2)Br	PC-id_115803497	283.164	BOBUWZMMHYAJMP-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-102616
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C1C(CC2C1C2)CC(=O)C3=C(C=CS3)Br	PC-id_164649693,MCULE-8099612082	283.987	LMAHENYQMWHPOK-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-103205
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Br[C@H]1C[C@]2(C)O[C@@]2(C[C@@H]1Br)C	PC-id_98172760,LI_143424,CoCoCo_5467099,LI_188783	283.988	ZQEYVDVWGJJBOA-DKXJUACHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-103219
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Br[C@@H]1CC[C@H]2O[C@@H]2CC[C@@H]1Br	PC-id_98163099	283.988	FDVJISGFGLBDFP-ULAWRXDQSA-N	00100000000000000100010000000000000000000000000000000000	22-01-103223
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Br[C@@H]1CC[C@H]2O[C@@H]2CC[C@H]1Br	PC-id_98553985	283.988	FDVJISGFGLBDFP-WCTZXXKLSA-N	00100000000000000100010000000000000000000000000000000000	22-01-103225
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CO[C@@H]1CCC[C@@H]2[C@@H]1C2(Br)Br	ZINC22_101092650,PC-id_98168957	283.988	OLRVKYLBEIFIAW-QYNIQEEDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-103229
CO[C@@H]1CCC[C@@H]2[C@H]1C2(Br)Br	ZINC22_257357519	283.988	OLRVKYLBEIFIAW-FSDSQADBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-103230
CO[C@@H]1CCC[C@H]2[C@H]1C2(Br)Br	ZINC22_257357520	283.988	OLRVKYLBEIFIAW-RRKCRQDMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-103231
CO[C@@H]1CCC[C@H]2[C@@H]1C2(Br)Br	ZINC22_43214644,PC-id_93949025	283.988	OLRVKYLBEIFIAW-XVMARJQXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-103232
C1CC2C(C2(Br)Br)CCC1[NH3+]	PC-id_135037914	284.011	BMSPTSRXCKRUTR-UHFFFAOYSA-O	00100000000000000100010000000000000000000000000000000000	22-01-103233
CO/N=C(C1C2C1CNC2)/C3=CC(=C(C=C3)Cl)Cl	SCHEMBL18726743,PC-id_153680236	284.048	KURZFDOBFUGLGR-LGMDPLHJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-103234
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Clc1c(F)c(OC(=O)NCC2NC3C(C3)C2)ccc1	SCHEMBL13836811,PC-id_77462592	284.714	CIZHAVMYWWXNHL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-103870
Clc1c(F)c(OC(=O)NC[C@H]2N[C@H]3[C@H](C3)C2)ccc1	PC-id_68283842,SCHEMBL12480299	284.714	CIZHAVMYWWXNHL-OYNCUSHFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-103871
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Clc1ccc(c2ccc(CC3C[C@H]4O[C@H]4C3)cc2)cc1	PC-id_18604729	284.78	OPJQKSZVTZRDHS-CNUNBNKRSA-N	00100010000000110000110000000000000000000000000000000000	22-01-103884
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Clc1cc(CC2(CC3C(C3)C2)C(=O)O)ccc1Cl	PC-id_80468223	285.166	KLYKRPQWJBBKJI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-103938
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OC(=O)C1(CC2C(C1)C2)Cc1cccc(c1Cl)Cl	PC-id_113944279	285.166	WXHIOSJTGFLKDX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-103941
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[C@@H]12CNC[C@@H]1[C@H]2C(=O)NCc1ccc(c(Cl)c1)Cl	EMOLS-id_49680644,MCULE-7713094836,ZINC22_102845559	285.169	QNEMAIVBMVNZIC-GDGBQDQQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-103943
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CCc1ccccc1CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	MCULE-9382112273,EMOLS-id_319885955	286.369	ZVFGLFKMXZYGIU-PBHICJAKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-105069
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CC/C(=N/NC(=O)C1[C@H]2[C@@H]1CCCC2)/c1ccc(cc1)O	PC-id_135885995	286.369	BZWAQTKHDZAZRU-GTDGQNQJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-105076
CC/C(=NNC(=O)C1[C@@H]2[C@@H]1CCCC2)/c1ccc(cc1)O	PC-id_136782953	286.369	BZWAQTKHDZAZRU-MVYAWKFMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-105077
CC/C(=NNC(=O)C1[C@H]2[C@H]1CCCC2)/c1ccc(cc1)O	PC-id_136782954	286.369	BZWAQTKHDZAZRU-FTKQKGMFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-105078
CC/C(=N/NC(=O)C1[C@@H]2[C@@H]1CCCC2)/c1ccc(cc1)O	PC-id_136828037	286.369	BZWAQTKHDZAZRU-LSZNUSBGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-105079
CC/C(=N/NC(=O)C1[C@H]2[C@H]1CCCC2)/c1ccc(cc1)O	PC-id_136828038	286.369	BZWAQTKHDZAZRU-GEDAEYTGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-105080
CC/C(=N/NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)/c1ccc(cc1)O	CoCoCo_80694	286.369	BZWAQTKHDZAZRU-OMFCXSFYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-105081
CC/C(=NNC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)/c1ccc(cc1)O	CoCoCo_80695	286.369	BZWAQTKHDZAZRU-PKSAQUNSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-105082
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COC(=O)Cc1ccccc1C(=O)N1CC2C(C1)C2(C)C	PC-id_121556770,MCULE-4476458401,EMOLS-id_76000207	287.354	ZCRRSPZKOUXPEI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-105838
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COC(=O)Cc1ccccc1C(=O)N1C[C@H]2[C@@H](C1)C2(C)C	ZINC22_253411902	287.354	ZCRRSPZKOUXPEI-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-105840
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CCNC(C1C2C1CCCC2)c1cccc(c1)OC(C)C	PC-id_105018947	287.44	PLYNQQLIZGPTKD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106205
CCNC(C1C2C1CCCC2)Cc1cc(C)ccc1OC	PC-id_115826217	287.44	XFFBTIGPAHHRDZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106206
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COc1ccc(/C=C/C(=O)[C@]23CCCC[C@@H]2O3)cc1OC	ZINC22_100019807	288.338	QUUNKNVMAVPMIY-OLMWUWOUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106544
COc1ccc(/C=C/C(=O)[C@@]23CCCC[C@H]2O3)cc1OC	ZINC22_100019809	288.338	QUUNKNVMAVPMIY-DGEHHSODSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106545
COc1ccc(/C=CC(=O)[C@]23CCCC[C@@H]2O3)cc1OC	ZINC22_106176542	288.338	QUUNKNVMAVPMIY-FCLXQVKYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106546
COc1ccc(/C=C/C(=O)[C@]23CCCC[C@H]2O3)cc1OC	ZINC22_163750,PC-id_11859654	288.338	QUUNKNVMAVPMIY-ISIQUDIPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106547
COc1ccc(/C=C/C(=O)[C@@]23CCCC[C@@H]2O3)cc1OC	ZINC22_3129362,PC-id_11864327	288.338	QUUNKNVMAVPMIY-NNTYKDFWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106548
COc1ccc(/C=CC(=O)[C@]23CCCC[C@H]2O3)cc1OC	ZINC22_575114730	288.338	QUUNKNVMAVPMIY-KIUVSXKZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106549
COC(=O)C1CC2CC2CC1C(=O)OCc1ccccc1	PC-id_117993445,SCHEMBL16617732	288.338	LJKYNZQCZLLVMX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106550
COC(=O)[C@H]1CC2CC2C[C@H]1C(=O)OCc1ccccc1	PC-id_117993443,SCHEMBL16617730	288.338	LJKYNZQCZLLVMX-PFSRBDOWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106551
O(C12C(C1CC(OC2=O)(C)C)(C)C)C(=O)c1ccccc1	PC-id_13215781	288.338	QPDPKXIHBNXFFE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106552
O(C1C2C(C2C(=O)C1=O)(C)C)C1CC(=O)C(=C1C)CC=C	PC-id_76477358	288.338	CHEYPDNJSRHTSR-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-106553
O=C(C12CC1(COC2=O)Cc1ccccc1)OC(C)(C)C	PC-id_143064891	288.338	PXTZWVBULXICIG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-106554
O=C(C(=C)C)Oc1ccc(cc1)OCCC1CCC2C1O2	PC-id_140010527	288.338	HFHXMRLXQGBVQJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-106555
O=C([C@@H]1CC[C@@H]2[C@@]1(C)[C@H]2C(=O)O)OCc1ccccc1C	PC-id_142261588	288.338	MXOCOTDFCAZWPW-SZOQZIPDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-106556
O([C@@H]1C2C(C2C(=O)C1=O)(C)C)[C@@H]1CC(=O)C(=C1C)CC=C	PC-id_57034619	288.338	CHEYPDNJSRHTSR-NEQJSVFRSA-N	00100011000000000000010000000000000000000000000000000000	22-01-106557
OC(=O)/C=C(/C1CC1)C=CC1(O)C(=CC(=O)C2C1(C)C2)C	SCHEMBL13468256	288.338	FSYLAUKDJCGMEH-DOQHAEMYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-106558
OC(=O)/C=C(/C(C)C)C#CC1(O)C(=CC(=O)C2C1(C)C2)C	SCHEMBL15476781	288.338	LEYHILZPYORKQB-XYOKQWHBSA-N	00100000000011000000010000000000000000000000000000000000	22-01-106559
CC1C(CC(C(O1)OC1C(C([C@H]2C[C@@H]2O1)O)NC)O)N	PC-id_135276849	288.34	IXDZEBHLNJVVJT-YUPQJXRCSA-N	00100000000010000000010000000000000000000000000000000000	22-01-106560
CNC1C(OC2OC(C)[C@H](C[C@@H]2O)N)O[C@@H]2[C@@H](C1O)C2	SCHEMBL20441120	288.34	IXDZEBHLNJVVJT-IASQULRHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-106561
C12(CCCCC1C2C(=O)NN=Cc1ccc(cc1O)O)C	MCULE-7372415917	288.342	AWHOKDBSDWPXQZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106562
C12(CCCCC1C2C(=O)NN=Cc1ccc(c(O)c1)O)C	MCULE-4599905373	288.342	WJCRLEXLLLXZDX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106563
C12CCCCC1C2C(=O)NN=Cc1ccc(c(O)c1)OC	PC-id_2832979,MCULE-6446439963	288.342	KUHWPJWODCTYFX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106564
C12CCCCC1C2C(=O)NN=Cc1cccc(OC)c1O	MCULE-4039916925	288.342	NUZMHIXADUJFSC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106565
C12CCCCC1C2C(=O)NN=Cc1ccc(c(OC)c1)O	MCULE-7025008363	288.342	JDQROOBALINTLI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106566
C12CCCCC1C2C(=O)NNC(=O)COc1ccccc1	EMOLS-id_1187373,PC-id_3098190,MCULE-4269264332,BAS-00294995	288.342	XOVLQNPEGBMYOO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106567
CC12CCCCC1C2C(=O)N/N=C/c1ccc(O)cc1O	EMOLS-id_49383564,PC-id_135590147	288.342	AWHOKDBSDWPXQZ-RQZCQDPDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106568
CC12CCCCC1C2C(=O)N/N=C/c1ccc(O)c(O)c1	PC-id_135641450,EMOLS-id_46446660	288.342	WJCRLEXLLLXZDX-RQZCQDPDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106569
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1c(cc(cc1)O)O	CoCoCo_6560182,PC-id_136915531	288.342	AWHOKDBSDWPXQZ-IYFCUBKLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106570
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1c(cc(cc1)O)O	CoCoCo_6560183,PC-id_136143719	288.342	AWHOKDBSDWPXQZ-MRWHSHBSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106571
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=Cc1c(cc(cc1)O)O	CoCoCo_6560184,PC-id_137030276	288.342	AWHOKDBSDWPXQZ-JKUGKDNBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106572
C[C@@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1c(cc(cc1)O)O	CoCoCo_6560188,PC-id_135733468	288.342	AWHOKDBSDWPXQZ-QUPYWTJASA-N	00100000000010110000010000000000000000000000000000000000	22-01-106573
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1cc(c(cc1)O)O	CoCoCo_6560488,PC-id_136915534	288.342	WJCRLEXLLLXZDX-YRYCFLLGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106574
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=Cc1cc(c(cc1)O)O	CoCoCo_6560490,PC-id_137030324	288.342	WJCRLEXLLLXZDX-LUJXBDILSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106575
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1cc(c(cc1)O)O	CoCoCo_6560492,PC-id_136915533	288.342	WJCRLEXLLLXZDX-GNRZHKAZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106576
C[C@@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(c(cc1)O)O	PC-id_135733469,CoCoCo_6560494	288.342	WJCRLEXLLLXZDX-XSRPWMEFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106577
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(c(cc1)O)O	PC-id_136143722,CoCoCo_6560489	288.342	WJCRLEXLLLXZDX-OPZPSJHESA-N	00100000000010110000010000000000000000000000000000000000	22-01-106578
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1c(cc(cc1)O)O	PC-id_136676341	288.342	AWHOKDBSDWPXQZ-JNQZNROXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106579
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1c(cc(cc1)O)O	PC-id_136676342	288.342	AWHOKDBSDWPXQZ-VKZUVSDISA-N	00100000000010110000010000000000000000000000000000000000	22-01-106580
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1cc(c(cc1)O)O	PC-id_136676446	288.342	WJCRLEXLLLXZDX-ZAHBWWJWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106581
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1cc(c(cc1)O)O	PC-id_136676447	288.342	WJCRLEXLLLXZDX-LTKXSYSOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106582
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1c(cc(cc1)O)O	PC-id_136915530,CoCoCo_6560185	288.342	AWHOKDBSDWPXQZ-TZXXMYGESA-N	00100000000010110000010000000000000000000000000000000000	22-01-106583
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=Cc1c(cc(cc1)O)O	PC-id_137030277	288.342	AWHOKDBSDWPXQZ-SVPNWMJISA-N	00100000000010110000010000000000000000000000000000000000	22-01-106584
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=Cc1cc(c(cc1)O)O	PC-id_137030323	288.342	WJCRLEXLLLXZDX-YYNAARKYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106585
CC1CC2CC2N1C(=O)C=CC(=O)N1C(CC2C1C2)C=O	PC-id_89113471	288.342	VDVGZCCTTFBBLQ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-106586
CC1C(C(CC2C1O2)C(=O)Nc1ccc(cc1)C)C(=O)N	PC-id_87639500,SCHEMBL4240385	288.342	PIJWNROLGLRAEL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106587
Cc1ccccc1CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O	MCULE-5649138257,ZINC22_534581075,EMOLS-id_177369993	288.342	UEQKXQGOHOHSMM-NHAGDIPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-106588
Cc1cccc(NC(=O)CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1C	ZINC22_534652510,MCULE-7620196780,EMOLS-id_177457392	288.342	YBTIKLPHGYJPOM-JYAVWHMHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-106589
CCc1cc(ccc1O)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319618051	288.342	FDDQYCOOQUHEOF-WBMJQRKESA-N	00100000000010110000010000000000000000000000000000000000	22-01-106590
CCc1ccc(c(c1)O)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319834199	288.342	ZBVOMUJEQSMKFQ-BZNIZROVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106591
CCc1cccc(c1O)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	MCULE-6450578525,EMOLS-id_319822492	288.342	WFUVKNVEAYYDFX-BZNIZROVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106592
CC(C)(C)c1nccc(c1)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)O	SCHEMBL20790755,PC-id_137544038	288.342	XWHJEYNFJABXLZ-IJLUTSLNSA-N	00100010000000101000010000000000000000000000000000000000	22-01-106593
CCOc1ccc(cc1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319157907	288.342	YPGKXQPLRZMOLD-WBMJQRKESA-N	00100000000010110000010000000000000000000000000000000000	22-01-106594
CCOC(=O)c1ncccc1NC(=O)C1C2C1CCCC2	EMOLS-id_49079095,PC-id_84585332,MCULE-4294278335	288.342	SKIIUUQFUQNVTQ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-106595
CCOC(=O)c1ncccc1NC(=O)C1[C@H]2CCCC[C@H]12	PC-id_98534684,ZINC22_104192011	288.342	SKIIUUQFUQNVTQ-QWRGUYRKSA-N	00100000000010101000010000000000000000000000000000000000	22-01-106596
CCOC(=O)c1ncccc1NC(=O)C1[C@@H]2CCCC[C@@H]12	PC-id_98534686,ZINC22_104192019	288.342	SKIIUUQFUQNVTQ-GHMZBOCLSA-N	00100000000010101000010000000000000000000000000000000000	22-01-106597
CCOC(=O)c1ncccc1NC(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_95907869	288.342	SKIIUUQFUQNVTQ-QYJAPNMZSA-N	00100000000010101000010000000000000000000000000000000000	22-01-106598
CCOC(=O)c1ncccc1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_245339389	288.342	SKIIUUQFUQNVTQ-PJXYFTJBSA-N	00100000000010101000010000000000000000000000000000000000	22-01-106599
CCOC(=O)Cc1ccccc1OCCN1C=NC2C1C2	PC-id_142238515	288.342	XSLWZUAGRPKIBI-UHFFFAOYSA-N	00100011000000110001010000000000000000000000000000000000	22-01-106600
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)CC(=O)NCCc1ccccc1	EMOLS-id_177385030,ZINC22_534587177,MCULE-4405568081	288.342	RGVFDPNTGKCRFS-NHAGDIPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-106601
CN(Cc1ccccc1)CC(CN1C(=O)C2C(C1=O)C2)O	PC-id_109851990	288.342	UFGTZQASVITZPH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-106602
CNC(=O)c1cccc(c1)C(=O)N1CCC[C@H]2[C@]1(CO)C2	EMOLS-id_318806340	288.342	IDUOZQWSNMSWIF-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106603
COc1cccc(c1)CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_318960028	288.342	DXZNXKWJDHZVJD-WBMJQRKESA-N	00100000000010110000010000000000000000000000000000000000	22-01-106604
COc1cc(ccc1C)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319765513	288.342	REKQGVRBPSADIU-WBMJQRKESA-N	00100000000010110000010000000000000000000000000000000000	22-01-106605
COc1cc(ccc1CN)CN1C(=O)C2C(C1=O)C2(C)C	PC-id_106785988	288.342	IBGPRYWDHIYLMO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-106606
COc1c(ccc(c1)/C=N/NC(=O)C1[C@H]2[C@@H]1CCCC2)O	PC-id_135851307	288.342	JDQROOBALINTLI-FAGZZONSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106607
COc1c(ccc(c1)/C=NNC(=O)C1[C@H]2[C@@H]1CCCC2)O	PC-id_135926238	288.342	JDQROOBALINTLI-NWWNGHGTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106608
COc1c(ccc(c1)/C=NNC(=O)C1[C@@H]2[C@@H]1CCCC2)O	PC-id_136856971	288.342	JDQROOBALINTLI-KMFCOABJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106609
COc1c(ccc(c1)/C=NNC(=O)C1[C@H]2[C@H]1CCCC2)O	PC-id_136856972	288.342	JDQROOBALINTLI-QRCPBLIZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106610
COc1cccc(c1O)/C=N/NC(=O)C1[C@H]2[C@@H]1CCCC2	PC-id_135851308	288.342	NUZMHIXADUJFSC-BGBSCUFKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106611
COc1cccc(c1O)/C=NNC(=O)C1[C@@H]2[C@@H]1CCCC2	PC-id_137034808	288.342	NUZMHIXADUJFSC-KMFCOABJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106612
COc1cccc(c1O)/C=NNC(=O)C1[C@H]2[C@H]1CCCC2	PC-id_137034809	288.342	NUZMHIXADUJFSC-QRCPBLIZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106613
COc1cccc(c1O)/C=NNC(=O)C1[C@H]2[C@@H]1CCCC2	PC-id_137148260	288.342	NUZMHIXADUJFSC-ZNDCCGIESA-N	00100000000010110000010000000000000000000000000000000000	22-01-106614
COc1ccc(cc1O)/C=NNC(=O)C1[C@H]2[C@H]1CCCC2	PC-id_98095009	288.342	KUHWPJWODCTYFX-QRCPBLIZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106615
COc1ccc(cc1O)/C=NNC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_600522	288.342	KUHWPJWODCTYFX-VQMDZPFZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106616
COc1ccc(cc1O)/C=N/NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_600523	288.342	KUHWPJWODCTYFX-DRGAFNPESA-N	00100000000010110000010000000000000000000000000000000000	22-01-106617
COc1ccc(cc1O)/C=NNC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2	CoCoCo_600524	288.342	KUHWPJWODCTYFX-SHQKKQMJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106618
COc1ccc(cc1O)/C=N/NC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2	CoCoCo_600525	288.342	KUHWPJWODCTYFX-QIEDYYHASA-N	00100000000010110000010000000000000000000000000000000000	22-01-106619
COc1cccc(c1O)/C=NNC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_600652	288.342	NUZMHIXADUJFSC-ATDHJLABSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106620
COc1cccc(c1O)/C=N/NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_600653	288.342	NUZMHIXADUJFSC-OOAXDZTFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106621
COc1cccc(c1O)/C=NNC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2	CoCoCo_600654	288.342	NUZMHIXADUJFSC-IICFHDQRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106622
COc1cccc(c1O)/C=N/NC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2	CoCoCo_600655	288.342	NUZMHIXADUJFSC-OIRKPBQOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106623
COc1cccc(/C=N/NC(=O)C2C3CCCCC23)c1O	CK1918395,PC-id_135472430,EMOLS-id_177515672	288.342	NUZMHIXADUJFSC-RQZCQDPDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106624
COc1ccc(CC(=O)N2CCC[C@@H]3C[C@]23C(=O)N)cc1	ZINC22_2325781159	288.342	QRMSKQIDVSUOQS-WBMJQRKESA-N	00100000000010110000010000000000000000000000000000000000	22-01-106625
COc1ccc(/C=N/NC(=O)C2C3CCCCC23)cc1O	EMOLS-id_25843141,PC-id_9585125	288.342	KUHWPJWODCTYFX-RQZCQDPDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106626
COc1cc(/C=N/NC(=O)C2C3CCCCC23)ccc1O	PC-id_135472422,CK1918600,EMOLS-id_25843181	288.342	JDQROOBALINTLI-RQZCQDPDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106627
COc1cc(/C=NNC(=O)[C@@H]2[C@H]3[C@@H]2CCCC3)ccc1O	CoCoCo_600589	288.342	JDQROOBALINTLI-VQMDZPFZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106628
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3[C@@H]2CCCC3)ccc1O	CoCoCo_600590	288.342	JDQROOBALINTLI-DRGAFNPESA-N	00100000000010110000010000000000000000000000000000000000	22-01-106629
COc1cc(/C=NNC(=O)[C@@H]2[C@@H]3[C@H]2CCCC3)ccc1O	CoCoCo_600591	288.342	JDQROOBALINTLI-SHQKKQMJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106630
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3[C@H]2CCCC3)ccc1O	CoCoCo_600592	288.342	JDQROOBALINTLI-QIEDYYHASA-N	00100000000010110000010000000000000000000000000000000000	22-01-106631
COCc1cccc(c1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_318878342	288.342	FLAKHUGQXRYTBS-CJNGLKHVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-106632
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[Si](O[Si](OC)(C)C)(O)(CCC1CC2OC2CC1)C	PC-id_20764362	290.503	GTBHECWZSOJBIA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-108622
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S(C1([Si](C)(C)C)C2(C1CCCC2)C)c1ccccc1	PC-id_13979498	290.539	ITOFEVBAODUGED-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108626
CC([Si](C(C)C)(C(C)C)C#CC1(C)[C@@H]2[C@H]1CCCC2)C	PC-id_101466436	290.559	JZVLGWGBNXCEDP-DFNIBXOVSA-N	00100000000010000000010000000000000000000000000000000000	22-01-108627
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Clc1cc(S(=O)(=O)NC2C3C2CNC3)ccc1F	PC-id_43597426	290.742	OOXWYHQPPWXLCO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-108630
Clc1c(F)c(S(=O)(=O)NC2C3C2CNC3)ccc1	PC-id_43597421	290.742	IKSHNCNWWZWFNA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-108631
Clc1c(S(=O)(=O)NC2C3C2CNC3)ccc(F)c1	PC-id_43597325	290.742	PVXSSSOOXBBKBN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-108632
C12(CCCCC1C2C(=O)NN=Cc1ccccc1Cl)C	PC-id_3105403,MCULE-3715859412	290.788	GTJONIFXFDUNPR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108633
C12(CCCCC1C2C(=O)NN=Cc1ccc(cc1)Cl)C	PC-id_5029254,MCULE-9954375608	290.788	OJELTWDIHHRBQK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108634
CC12CCCCC1C2C(=O)N/N=C/c1ccccc1Cl	PC-id_9591896,BAS-00406511,EMOLS-id_1214524,SPECS-id_AG-690/36723036	290.788	GTJONIFXFDUNPR-VCHYOVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108635
CC12CCCCC1C2C(=O)N/N=C/c1cccc(Cl)c1	PC-id_9641635,EMOLS-id_336517785	290.788	DLBHSPFPFOCLNA-VCHYOVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108636
CC12CCCCC1C2C(=O)N/N=C/c1ccc(Cl)cc1	EMOLS-id_49857587,PC-id_9689266	290.788	OJELTWDIHHRBQK-VCHYOVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108637
Cc1c(cc(cc1)C(=NOCC=C)C1C2C1CNC2)Cl	SCHEMBL15274153,PC-id_89816829	290.788	NDNKXDLAFMGZGI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-108638
Clc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561841	290.788	OJELTWDIHHRBQK-GHYFRNLBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108639
Clc1ccc(cc1)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561842	290.788	OJELTWDIHHRBQK-KMJZKAPUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108640
Clc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561843	290.788	OJELTWDIHHRBQK-QUYNDJIQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108641
Clc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561844	290.788	OJELTWDIHHRBQK-FTJSCAINSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108642
Clc1ccc(cc1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561845	290.788	OJELTWDIHHRBQK-OLXINACNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108643
Clc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561846	290.788	OJELTWDIHHRBQK-IJUUUVIWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108644
Clc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561847	290.788	OJELTWDIHHRBQK-UDWLEGMYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108645
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Clc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98104988	290.788	OJELTWDIHHRBQK-ABHJDBPPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-108649
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CC(C)(C)OC(=O)NC(C1C[C@@H]2[C@H](C1)C2(F)F)C(=O)O	PC-id_164186358	291.128	DPXCOMLDRRKIGV-VGKQMMLZSA-N	00100010000010000000010000000000000000000000000000000000	22-01-108686
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C1CC(CC(C1)(C(F)(F)F)O)CC(=O)[C@@H]2C[C@H]3C[C@H]3N2	PC-id_161712801	291.145	UANFQNIFHBMYJV-PFVDFNESSA-N	00100010000010000000010000000000000000000000000000000000	22-01-108691
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CC[OH+]C(C(COC1=C(C=C(C2=C(C12)C)C)C)/C=CC)O	PC-id_163680739	291.195	JKPLWGXQCGZXGR-VURMDHGXSA-O	00110000000011000000010000000000000000000000000000000000	22-01-108714
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O=C(NC(c1scc(n1)C)C1CC1)NC1CC2C(C1)C2	EMOLS-id_102206014	291.412	GYTCGJHGVJILPS-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-109132
C12C=C(C)C(CC1C2(C)C)COC(=O)CN1CCCCC1	MCULE-3164636775,STOCK1S-09611,PC-id_2858367,EMOLS-id_2365407	291.428	FMQARPSTZNNDJH-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-109133
CC1=C[C@H]2[C@@H](C[C@@H]1COC(=O)CN1CCCCC1)C2(C)C	PC-id_11905367,ZINC22_5015373	291.428	FMQARPSTZNNDJH-OWCLPIDISA-N	00100000000011000000010000000000000000000000000000000000	22-01-109134
CC1=C[C@H]2[C@H](C[C@@H]1COC(=O)CN1CCCCC1)C2(C)C	PC-id_98118354,ZINC22_100509896	291.428	FMQARPSTZNNDJH-PMPSAXMXSA-N	00100000000011000000010000000000000000000000000000000000	22-01-109135
CC1=C[C@@H]2[C@@H](C[C@@H]1COC(=O)CN1CCCCC1)C2(C)C	ZINC22_100509898,PC-id_98118356	291.428	FMQARPSTZNNDJH-BZUAXINKSA-N	00100000000011000000010000000000000000000000000000000000	22-01-109136
CC1=C[C@@H]2[C@@H](C[C@H]1COC(=O)CN1CCCCC1)C2(C)C	ZINC22_101839934	291.428	FMQARPSTZNNDJH-ARFHVFGLSA-N	00100000000011000000010000000000000000000000000000000000	22-01-109137
CC1=C[C@@H]2[C@H](C[C@@H]1COC(=O)CN1CCCCC1)C2(C)C	ZINC22_5015368,PC-id_11905364	291.428	FMQARPSTZNNDJH-OAGGEKHMSA-N	00100000000011000000010000000000000000000000000000000000	22-01-109138
CC1=C[C@@H]2[C@H](C[C@H]1COC(=O)CN1CCCCC1)C2(C)C	ZINC22_5563917	291.428	FMQARPSTZNNDJH-XHSDSOJGSA-N	00100000000011000000010000000000000000000000000000000000	22-01-109139
CC(=O)/C=C/C1(O)C(C)(C)CCCC1(C)NC1(C)C2C1C2	SCHEMBL16744236,PC-id_118098378	291.428	XUFDOYGOAPUVPE-JXMROGBWSA-N	00101000000010000000010000000000000000000000000000000000	22-01-109140
O=C(N1C(C2C(O)CCC2)CCCC1)C1C2C1CCCC2	PC-id_81636950	291.428	ZWGKHOJSNBDPPN-UHFFFAOYSA-N	00100010000010000000110000000000000000000000000000000000	22-01-109141
O=C(N1C(C2C(O)CCCC2)CCC1)C1C2C1CCCC2	PC-id_81636947	291.428	BZXWRDIGKCSTLX-UHFFFAOYSA-N	00100010000010000000110000000000000000000000000000000000	22-01-109142
O=C(N1C(C2C(O)CCCC2)CCCC1)C1C2C1CCC2	PC-id_81636952	291.428	URJDTZKACRIKBD-UHFFFAOYSA-N	00100010000010000000110000000000000000000000000000000000	22-01-109143
O=C(N1C(C2C(O)CCCC2)CCCC1)C1CC2C(C2)C1	PC-id_80468165	291.428	RLRWSIPXRBJAIQ-UHFFFAOYSA-N	00100010000010000000110000000000000000000000000000000000	22-01-109144
c1ccc(CN(Cc2ccccc2)C2[C@H]3CCCC[C@H]23)cc1	ZINC22_1225158	291.43	KCGBZCAXHKGXDQ-PMACEKPBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109145
c1ccc(CN(Cc2ccccc2)C2[C@@H]3CCCC[C@@H]23)cc1	ZINC22_1225161	291.43	KCGBZCAXHKGXDQ-WOJBJXKFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109146
c1ccc(CN(Cc2ccccc2)[C@@H]2[C@H]3CCCC[C@@H]23)cc1	CoCoCo_585461,ZINC22_244701216	291.43	KCGBZCAXHKGXDQ-AERCQKQUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109147
C1CC[C@H]2[C@@H](C1)[C@H]2N(Cc1ccccc1)Cc1ccccc1	CoCoCo_585462	291.43	KCGBZCAXHKGXDQ-WKCHPHFGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109148
C1C[C@@H]2C[C@@H]2[C@@H](C1)N(Cc1ccccc1)Cc1ccccc1	PC-id_101442616	291.43	PFOKXSLCJDZMJR-QHAWAJNXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109149
C1(N(Cc2ccccc2)Cc2ccccc2)C2C1CCCC2	MCULE-3914092325,EMOLS-id_300049469,PC-id_2826791	291.43	KCGBZCAXHKGXDQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109150
CS(=O)C1(CC1)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_320270984,MCULE-6574646342	291.43	ZKRUHOJAZAPPHD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109151
N(C1[C@H]2[C@@H]1CCCC2)(Cc1ccccc1)Cc1ccccc1	PC-id_1375543	291.43	KCGBZCAXHKGXDQ-WCRBZPEASA-N	00100000000010110000010000000000000000000000000000000000	22-01-109152
[2H]OC([C@@]1([2H])N(S(=O)(=O)c2ccc(cc2)C)C([2H])([2H])[C@]2([C@](C1([2H])[2H])([2H])C2)[2H])([2H])[2H]	SCHEMBL3389567	291.432	KDIICHHJPLPYED-URRMERBGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109153
CCCn1ncc(c1C(C1C2C1CCCC2)NCC)OC	PC-id_105048706	291.432	QLZONQYDRXYQGA-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-109154
CCCNC(c1c(OC)cnn1CC)C1C2C1CCCC2	PC-id_105047746	291.432	WKIHIMPMZJRTBM-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-109155
CCCNC(c1c(OC)cnn1C(C)C)C1C2C1CCC2	PC-id_105048162	291.432	QGVGVZXHIXJKRM-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-109156
CCCNC(c1c(OC)cnn1CCC)C1C2C1CCC2	PC-id_105048761	291.432	JHKAGFRAAKPPMV-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-109157
CCCNC(c1c(OC)cnn1C(C)C)C1CC2C(C1)C2	PC-id_105048116	291.432	YEJMLCOBUZIHBI-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-109158
CCCNC(c1c(OC)cnn1CCC)C1CC2C(C1)C2	PC-id_105048715	291.432	KLBBCXXNMCTTSB-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-109159
CCNC(c1c(OC)cnn1C(C)C)C1C2C1CCCC2	PC-id_105048107	291.432	HZOJLICWCZLGHV-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-109160
NCC1(CCC1)C1CCCCN1C(=O)[C@@]12C[C@H](C[C@@H]1C2)N	EMOLS-id_319686861	291.432	AMRKTFZLFFPXLT-HMCVZBPISA-N	00101010000010000000110000000000000000000000000000000000	22-01-109161
OCC(C(c1nccn1C)NCC1CCC2C(C1)C2)(C)C	EMOLS-id_316644204	291.432	NPJWEHDJTIXRDA-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-109162
O(CCNCC1(CC2C(C2)C1)Cc1n(nc(c1)CC)C)C	PC-id_80472186	291.432	PVNOJFVALFYGDU-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-109163
O(CCNCC1(CC2C(C2)C1)Cc1nn(cc1)C(C)C)C	PC-id_80472209	291.432	KXIOZUOBRZGSRP-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-109164
O(CCNCC1(CC2C(C2)C1)Cc1n(nc(c1)C)CC)C	PC-id_80472240	291.432	QXTTXSWHISHPOV-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-109165
O=C(N1CCC(CC1)N1CCCCC1)NC1CC2C(C1)C2	EMOLS-id_102908158	291.432	BYUINJCOXNYEPQ-UHFFFAOYSA-N	00100010000010000000110000000000000000000000000000000000	22-01-109166
O=C(N1CCCN(CC1)C1CCCC1)NC1CC2C(C1)C2	EMOLS-id_102907260	291.432	ALHPBCFYXRXMJR-UHFFFAOYSA-N	00100010000010000101110000000000000000000000000000000000	22-01-109167
O=C(N1CC(N2CCC(N)CC2)CC1)C1C2C1CCCC2	PC-id_81637428	291.432	DZDFNYCRBLNULZ-UHFFFAOYSA-N	00100010000010000000110000000000000000000000000000000000	22-01-109168
CC1CC(CN(C1)C(NC)N1CN=C(NC=C2[C@H]1C2)C)C	SCHEMBL19917078,PC-id_134299733	291.435	GBNFVZPPNFFFRU-XATBXUDESA-N	00100000000010000111010000000000000000000000000000000000	22-01-109169
[Si](OC)(OC)CC(C1CC2OC2CC1)c1ccccc1	PC-id_57119880	291.438	DLIIYPMHAOJRNV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109170
C1CCC(CC1)N(C1CCCCC1)CC1CCC2C(C1)O2	PC-id_57647820,SCHEMBL13875182	291.471	XNVCXTYGXXWTMD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109171
C=CC(C1CC/C(=C/CCC2(C(C1)O2)C)/C)CN(CC)C	PC-id_145651087	291.471	AQZUUQJAGHLMQZ-OQLLNIDSSA-N	00100000000000000110010000000000000000000000000000000000	22-01-109172
CO[Si](N[SiH2]CCC1CCC2C(C1)O2)(OC)OC	SCHEMBL8863311	291.492	HWKFFKOGIMEBSS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109173
CCCNC(C1C2C1CCCC2)Cc1ccc(s1)CC	PC-id_115842387	291.495	XPOQJEUVFXVSNR-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-109174
s1c(CC2(CC3C(C3)C2)CNC(C)(C)C)ccc1CC	PC-id_80471843	291.495	JGTZDGNZVZSLBU-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109175
s1c(CC2(CC3C(C3)C2)CNCC(C)C)ccc1CC	PC-id_80471964	291.495	UOTPOEYXXMHHGI-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109176
s1c(C(NCC)C2C3C2CCCC3)ccc1C(C)(C)C	PC-id_81635795	291.495	YUOBNXJNJCNGGO-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-109177
s1c(C(NCCC)C2C3C2CCC3)ccc1C(C)(C)C	PC-id_81635894	291.495	HYHUFOQWAMRDMP-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109178
s1c(C(NCCC)C2CC3C(C3)C2)ccc1C(C)(C)C	PC-id_81634480	291.495	JQALVTBZDURMEC-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109179
N(CC1(CC2C(C2)C1)CCCCCCCCCC)C1CC1	PC-id_80470478	291.514	HNRXQSYXVDNQSY-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-109180
Brc1ccc(s1)C(C12CCCC1C2)Cl	MCULE-8858385110	291.635	UJWQUUKVDUNUNB-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109181
Brc1ccsc1C(C12CCCC1C2)Cl	MCULE-2780638735	291.635	JOKFNVOWNBYOBF-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109182
Brc1c(scc1)C(Cl)C1C2C1CCC2	PC-id_81636814	291.635	AVMBYOWPVPCNJR-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109183
Brc1c(scc1)C(Cl)C1CC2C(C2)C1	EMOLS-id_107844505,PC-id_80535775	291.635	BEJFODBPDCHFTO-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109184
Brc1sc(C(Cl)C2C3C2CCC3)cc1	PC-id_81638294	291.635	BQCNNCHAWFVGJL-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109185
Brc1sc(C(Cl)C2CC3C(C3)C2)cc1	PC-id_80470837	291.635	HMPIKYFDILUWKH-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109186
BrC(C1C2C1CCC2)c1sccc1Cl	PC-id_81638170	291.635	YLGJQGFDGCGDSC-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109187
BrC(C1CC2C(C2)C1)c1sc(Cl)cc1	PC-id_80469291	291.635	NWLURUPJMMJRAI-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109190
Clc1ccc(s1)C(C12CCCC1C2)Br	MCULE-2590749124	291.635	OXFSYXYSRNMQMV-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109191
Clc1ccsc1C(C12CCCC1C2)Br	MCULE-5645615801	291.635	GGAZXJBXGSJABE-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-109192
O=C(c1[nH]ncc1Cl)NC[C@]12OCCC[C@H]1C2(F)F	EMOLS-id_318894915	291.682	KOBHWHRFKBVDLS-XCBNKYQSSA-N	00100000100010000001010000000000000000000000000000000000	22-01-109193
OC(c1ccc(nc1Cl)C(F)(F)F)C1C2C1CCC2	PC-id_106972124	291.697	IQHVZMIAKOGFFZ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-109194
OC(c1ccc(nc1Cl)C(F)(F)F)C1CC2C(C1)C2	PC-id_106972074	291.697	IZQWJLOZQDYYIQ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-109195
O=S(=O)(N[C@@]12COC[C@@H]1C2)c1ccc(Cl)c(F)c1	ZINC22_885490975,EMOLS-id_313178692,MCULE-4315016510	291.726	JISQJHOYOYPCQM-CPCISQLKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109196
Clc1ccc(C(=O)CN2C(=O)C3C(C3C2=O)(C)C)cc1	PC-id_64687350	291.73	IWKGMVLINNTAOT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109197
Clc1cc(C(=O)CN2C(=O)C3C(C3C2=O)(C)C)ccc1	PC-id_64835298	291.73	OZLIUDWWYIGIRE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109198
Clc1c(C(=O)CN2C(=O)C3C(C3C2=O)(C)C)cccc1	PC-id_64836238	291.73	PNBYJDLBRHTKKF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109199
OC(=O)Cc1ccccc1NC1=C(Cl)C=CC2C1(C)O2	PC-id_144077993	291.73	UGAIQDFVRHTFKV-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-109200
OC(=O)[C@H]1[C@@H]2[C@H]1CCC(=C(c1ccc(cc1)Cl)N)C2=O	PC-id_142954559	291.73	CITQADVMTKYUCH-ADEWGFFLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109201
Clc1c(C(C(=O)C2C3C2CCCC3)C#N)ccc(F)c1	PC-id_81631369	291.748	BPPQYLZLDYJREQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109202
Clc1c(C(C(=O)C2C3C2CCCC3)C#N)c(F)ccc1	PC-id_81630981	291.748	ODZSOCCFSGCNON-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109203
Clc1c(F)c(C(C(=O)C2C3C2CCCC3)C#N)ccc1	PC-id_82803110	291.748	CKSDVEVHTPDRAF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109204
Cc1ccc(c(c1)Cl)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(C)(C)C	SCHEMBL14664021,PC-id_58533270	291.816	TVZOQRZKIHSIGB-CQDKDKBSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109205
Clc1ccc(C(NC(=O)C2CC3C(C3)C2)C(C)C)cc1	PC-id_80471280	291.816	JNVBDHJOHQLXNC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109206
Clc1cc(CN(C(=O)C2CC3C(C3)C2)C(C)C)ccc1	PC-id_80471438	291.816	IZEXLUFVDUTVKG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109207
Clc1c(C(=O)N2C3C(C3)CC2C(C)(C)C)ccc(c1)C	PC-id_76815451	291.816	TVZOQRZKIHSIGB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109208
ClCC(c1ccccc1)(NC(=O)C1C2C1CCCC2)C	PC-id_105059672	291.816	UUGKIQCTFUNIRE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109209
ClCCCc1cccc(c1)NC(=O)C1C2C1CCCC2	PC-id_104307307	291.816	NILNAKCKJHBJDF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109210
ClCC(Cc1ccccc1)NC(=O)C1C2C1CCCC2	PC-id_114300307	291.816	UKIANPRGKUHNJA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109211
ClCCN(C(=O)C1C2C1CCCC2)Cc1ccccc1	PC-id_81636093	291.816	SGGKJKYLVVWRHI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109212
Clc1ccc(s1)S(=O)(=O)NC1C2C1CCCC2	SYN-18343936,PC-id_16676384,EMOLS-id_30432243,MCULE-6001396041	291.817	MUZSLFUNQVPKAQ-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-109213
Clc1ccc(s1)S(=O)(=O)N[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_488697	291.817	MUZSLFUNQVPKAQ-AKZRSSKFSA-N	00100000100110000000010000000000000000000000000000000000	22-01-109214
O=S(=O)(NC1[C@H]2CCCC[C@@H]12)c1ccc(Cl)s1	PC-id_51500271,ZINC22_12241769	291.817	MUZSLFUNQVPKAQ-OQJHAAMPSA-N	00100000100110000000010000000000000000000000000000000000	22-01-109215
O=S(=O)(NC1[C@H]2CCCC[C@H]12)c1ccc(Cl)s1	PC-id_98137661,ZINC22_100768745	291.817	MUZSLFUNQVPKAQ-YUMQZZPRSA-N	00100000100110000000010000000000000000000000000000000000	22-01-109216
O=S(=O)(NC1[C@@H]2CCCC[C@@H]12)c1ccc(Cl)s1	PC-id_98137662,ZINC22_100768748	291.817	MUZSLFUNQVPKAQ-HTQZYQBOSA-N	00100000100110000000010000000000000000000000000000000000	22-01-109217
O=S(=O)(N[C@@H]1[C@H]2CCCC[C@@H]12)c1ccc(Cl)s1	CoCoCo_488696,ZINC22_247324100	291.817	MUZSLFUNQVPKAQ-VROVMSAKSA-N	00100000100110000000010000000000000000000000000000000000	22-01-109218
Cc1ccc(c(c1)Cl)C(N1[C@H]2C[C@H]2C[C@H]1C(C)(C)C)C	PC-id_58533219,SCHEMBL14664016	291.859	SVBXWMOYJCVFLR-ZXDJTQPBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109219
CCCNC(C1C2C1CCC2)Cc1ccc(cc1Cl)C	PC-id_106866328	291.859	DSFNWVCGIBEPAV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109220
CCCNC(C1C2C1CCCC2)c1ccc(c(c1)Cl)C	PC-id_107561780	291.859	JVXVUQHQBZSJRA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109221
CCCNC(C1CC2C(C1)C2)Cc1ccc(cc1Cl)C	PC-id_106866089	291.859	XEZIGVSMGPXPLL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109222
CCCNCC1(CC2C(C1)C2)Cc1ccc(cc1Cl)C	PC-id_106869618	291.859	JWPAYCCYESNQID-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109223
CCCNC(c1cc(C)c(cc1Cl)C)C1C2C1CCC2	PC-id_115484188	291.859	KTALZMWRUQVCEI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109224
CCCNC(c1cc(C)c(cc1Cl)C)C1CC2C(C1)C2	PC-id_115484179	291.859	FRCRLXJXFKAJGM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109225
CCNC(C1C2C1CCCC2)Cc1ccc(cc1Cl)C	PC-id_106866058	291.859	VFOCWJMJLNCHOU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109226
CC(NCC1(CC2C(C1)C2)Cc1ccc(cc1Cl)C)C	PC-id_106869619	291.859	QJZNYYXPLZGJFB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109227
CCNC(c1cc(C)c(cc1Cl)C)C1C2C1CCCC2	PC-id_115484030	291.859	VCINHTDQANRSFA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109228
Clc1c(CC2(CC3C(C3)C2)CNCC(C)C)cccc1	PC-id_80471850	291.859	BYZSHZFANNKLKG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109229
Clc1c(CC2(CC3C(C3)C2)CNC(C)(C)C)cccc1	PC-id_80472197	291.859	UWULCNDVETYJTH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109230
Clc1cc(CC2(CC3C(C3)C2)CNC(C)(C)C)ccc1	PC-id_80471083	291.859	WYJBQURPCWEIMM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109231
Clc1cc(CC2(CC3C(C3)C2)CNCC(C)C)ccc1	PC-id_80472200	291.859	BGJVHYOIEOBBMP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109232
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C12CCCCC1C2C(=O)NNC(=O)c1ccccc1Cl	PC-id_2841845,EMOLS-id_2014540,MCULE-1582698299,TIMTEC515669,CK1922425	292.761	VYYSASPAEDDCKV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109780
Clc1cccc(c1)CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319806869	292.761	OHSOXGCAGGDACN-ABAIWWIYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109781
Clc1ccc(cc1)CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	MCULE-5779996084,EMOLS-id_320092595	292.761	TZYLVUZPYIQCNP-ABAIWWIYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109782
Clc1ccc(c(c1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	EMOLS-id_319720300	292.761	ZTCFRRLNOVSUSG-BMIGLBTASA-N	00100000000010110000010000000000000000000000000000000000	22-01-109783
Clc1c(cc(NC(=O)C2CC3C(C3)C2)cc1)C(=O)NC	PC-id_80471552	292.761	YOANCCQBLPXSGF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109784
Clc1cc(NC(=O)C2CC3C(C3)C2)ccc1NC(=O)C	PC-id_80473749	292.761	KIQRZNNICFURBY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109785
Clc1c(C(=O)NNC(=O)C2[C@@H]3[C@H]2CCCC3)cccc1	PC-id_795713	292.761	VYYSASPAEDDCKV-HWYHXSKPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109786
Clc1c(NC(=O)C2CC3C(C3)C2)cc(cc1)C(=O)NC	PC-id_80471575	292.761	HUXOQAUMFDXBNF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109787
NCc1ccc(c(c1)Cl)CN1C(=O)C2C(C1=O)C2(C)C	PC-id_102663307	292.761	VSYDWVFOTZMDQG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109788
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1)C)Cl	MCULE-5962685581,EMOLS-id_320182109	292.761	XSNMEHXHIVBGAI-ABAIWWIYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109789
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1)Cl)C	EMOLS-id_319419983	292.761	LDFBQHDKKVKDBX-ABAIWWIYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109790
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1Cl)C	EMOLS-id_319954847,MCULE-1176474804	292.761	DYSLLKGCWFYDJF-BMIGLBTASA-N	00100000000010110000010000000000000000000000000000000000	22-01-109791
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)NNC(=O)c1ccccc1Cl	CoCoCo_629928	292.761	VYYSASPAEDDCKV-DDFAGTSDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109792
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)NNC(=O)c1ccccc1Cl	CoCoCo_629929	292.761	VYYSASPAEDDCKV-IWIIMEHWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109793
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1ccccc1Cl	EMOLS-id_319462793	292.761	SOEXPFLFTNPNFW-ABAIWWIYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109794
CCOCCOCCOCC1CC2OC2CC1CCl	SCHEMBL13935483,PC-id_59735575	292.799	QTSHYFCUNCHIKV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109795
Cc1c(cccc1Cl)NC(=O)CNC1CCCC2C1C2	PC-id_136549145,MCULE-3776671960,EMOLS-id_316888230	292.804	MQZPQIZJMDABIS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109796
Cc1c(Cl)cccc1NC(=O)CN[C@@H]1CCC[C@@H]2C[C@H]12	ZINC22_459779285	292.804	MQZPQIZJMDABIS-TYNCELHUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109797
Cc1c(Cl)cccc1NC(=O)CN[C@@H]1CCC[C@@H]2C[C@@H]12	ZINC22_646092834	292.804	MQZPQIZJMDABIS-LALPHHSUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109798
Cc1c(Cl)cccc1NC(=O)CN[C@@H]1CCC[C@H]2C[C@H]12	ZINC22_646092835	292.804	MQZPQIZJMDABIS-SLEUVZQESA-N	00100000000010110000010000000000000000000000000000000000	22-01-109799
Cc1c(Cl)cccc1NC(=O)CN[C@@H]1CCC[C@H]2C[C@@H]12	ZINC22_646092836	292.804	MQZPQIZJMDABIS-YWPYICTPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109800
CCCC1CC2CC2CN1C(=O)c1c(ccc(n1)C)Cl	PC-id_91415471	292.804	NASWGYPYVPKOHJ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-109801
CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@H]1[C@@H]2CNC[C@H]12	ZINC22_295167978,MCULE-5359287958,EMOLS-id_316923741	292.804	FSLDYDLKYUQKDG-WDNDVIMCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109802
CCCN1CC2C(C1)C2C(=O)NCc1cccc(c1)Cl	SCHEMBL710943,PC-id_66775796	292.804	XKHBRVAIZLXEMO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109803
CCNc1ccc(cc1C(=O)N1CC2C(C1)C2(C)C)Cl	EMOLS-id_317918627,MCULE-2509928263	292.804	YUVPCJXIJFUOGY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109804
Clc1cccc(c1)CN(C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)C(C)C	MCULE-2545197043,EMOLS-id_320069653	292.804	JMOITYHDLZKMSN-FICVDOATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109805
Clc1ccc(C(CN2CCC3C(C3)CC2)C(=O)N)cc1	PC-id_77434336	292.804	WXMMNAKOSQLMDB-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-109806
Clc1ccc([C@H](CN2CCC3C(C3)CC2)C(=O)N)cc1	PC-id_70640395,SCHEMBL12028651	292.804	WXMMNAKOSQLMDB-PIMMBPRGSA-N	00100000000000110100010000000000000000000000000000000000	22-01-109807
Clc1ccc([C@H](CN2CCC3[C@H](C3)CC2)C(=O)N)cc1	PC-id_68242697,SCHEMBL12323977	292.804	WXMMNAKOSQLMDB-YOYPFHDYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-109808
Clc1ccc([C@H](CN2CCC3[C@@H](C3)CC2)C(=O)N)cc1	SCHEMBL12323972,PC-id_68242694	292.804	WXMMNAKOSQLMDB-JHIQODARSA-N	00100000000000110100010000000000000000000000000000000000	22-01-109809
Clc1c(CN(C(=O)C2C3C2CCCC3)C)cc(N)cc1	PC-id_81623144	292.804	ZIPCOERWQKCZGO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109810
CNc1ccc(c(c1)Cl)C(=O)NCC12CCCCC1C2	EMOLS-id_319200864	292.804	VSGQBEZYMMSMNY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109811
Cc1cc(sc1Cl)S(=O)(=O)NC1C2C1CNC2	PC-id_113775429	292.805	GPIQIXOFMWTQET-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-109812
[C@H]1(CN2CCN(CC2)c2ccc(cn2)Cl)[C@H]2[C@@H]1CNC2	MCULE-9729653378,ZINC22_102775612,EMOLS-id_43166384	292.807	YMBDVQKAYRLKJR-WDNDVIMCSA-N	00100010000010101001110000000000000000000000000000000000	22-01-109813
Clc1ccc(N2CCN(CC3C4C3CNC4)CC2)nc1	PC-id_76439053	292.807	YMBDVQKAYRLKJR-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-109814
Clc1ccc(N2CCN(CC3[C@@H]4[C@H]3CNC4)CC2)nc1	PC-id_56912326	292.807	YMBDVQKAYRLKJR-PBWFPOADSA-N	00100010000010101001110000000000000000000000000000000000	22-01-109815
CCCCNCC1C2C1CN(C2)Cc1ccc(cc1)Cl	PC-id_66776173,SCHEMBL712406	292.847	WUPAFMTWXGIDOG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109816
CCCNC(C1C2C1CCCC2)Cc1ccncc1Cl	PC-id_115985047	292.847	GJWXHCKELVSPIJ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-109817
Clc1c(CC2(CC3C(C3)C2)CNC(C)(C)C)ccnc1	PC-id_80471995	292.847	OKFXDKWKVOQCFV-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-109818
Clc1c(CC2(CC3C(C3)C2)CNCC(C)C)ccnc1	PC-id_80472112	292.847	UTMBTWCDRLYVDB-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-109819
ClCC1(CC2C(C2)C1)Cc1nn(C2CCCCC2)cc1	PC-id_80471110	292.847	WMTSMCKHMHPBLQ-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-109820
CCCCCCCCCCCCC1c2c1c(Cl)ccc2	SCHEMBL19103590	292.887	USWOUCXIAVEEMJ-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-109821
CC1=C(C2C(O2)NN=C1I)C(=O)N	PC-id_163829951	292.966	OCVDZOOVBXOVPJ-UHFFFAOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-109822
C#CCN1CCC2C(C1)C2(Br)Br	EMOLS-id_262330603	292.998	RMKNQIVCTSPOAH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109823
C#CCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262330606	292.998	RMKNQIVCTSPOAH-JGVFFNPUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109824
C1CC(C2C1O2)[I-]C1CCC2C1O2	PC-id_163592365	293.004	UPGGAKOFEKXFIV-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-109825
CCP(=O)(NC1(CSC2C1C2C(=O)[O-])C(=O)[O-])O	PC-id_160115791	293.013	OWETZEFXJMIAQA-UHFFFAOYSA-L	00100010000000000000010000000000000000000000000000000000	22-01-109826
C=C1[C@H]2[C@@H]1N[C@@H](C2)C(=O)NC3=NC(=CC=C3)Br	PC-id_148720123	293.016	NYXORNYPZJNUKL-DKCNOQQISA-N	00100010000000101000010000000000000000000000000000000000	22-01-109827
CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@]3(C[C@]3(C2)C)C=O	PC-id_162367454,ZINC22_605707271	293.109	SHTMJUKTIYRTQA-GJZGRUSLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109828
CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@]3(C[C@@]3(C2)C=O)C	PC-id_162367475,ZINC22_605707100	293.109	ILOOJFDFOSNCED-HUUCEWRRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109829
CC(=O)NC1[C@@H](OC(C2(C1C2O)OC(O)O)CO)OC	PC-id_163852573	293.111	OVPQNIKTZNHWLH-OATWSIDNSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109830
CCC(C1C2C1(CC(C2)O)Cl)NC(=O)C3=CC=CC=C3	PC-id_153288973	293.118	HZSSSOIMNPMLCP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109831
CCC(C1C2C1CC(C2)O)NC(=O)C3=CC=C(C=C3)Cl	PC-id_153288936	293.118	PMMZEPYRKLWTED-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109832
CCC(C1[C@H]2[C@@H]1CC(C2)O)NC(=O)C3=CC=C(C=C3)Cl	PC-id_148934101	293.118	PMMZEPYRKLWTED-OTHKPKEBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109833
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)O)NC(=O)C3=CC=C(C=C3)Cl	PC-id_153517132	293.118	PMMZEPYRKLWTED-CQKDUHAVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109834
C1C[C@@H]2[C@@H](C2COC(=O)ON3C(=O)CCC3=O)CCC=C1	SCHEMBL19513093,PC-id_148566304	293.126	MVZLMHMWYVDJRZ-FOSCPWQOSA-N	00100010000000000110010000000000000000000000000000000000	22-01-109835
COC1C(CC2(CC2O1)OCC3=CC=CC=C3)C[N+](=O)[O-]	PC-id_153110102	293.126	VSTIZUPCPGBFLX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109836
CC(C)(C)S(=O)N1C2C1CC(C2)OCc1ccccc1	PC-id_163663154	293.145	IWCOCEUTVVJKPH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109837
ICCCNC(=O)C1C2C1CCC2	PC-id_114504302	293.145	WHWLOJMMVZCKPQ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-109838
ICCCNC(=O)C1CC2C(C1)C2	PC-id_114504179	293.145	BHNKTQKFCIOZEM-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-109839
ICCNC(=O)C12CCCCC1C2	MCULE-5122862913	293.145	GEAFAJXVBOZGGT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109840
ICCNC(=O)C1C2C1CCCC2	EMOLS-id_107797688,PC-id_104080915	293.145	OKIFGKJETCWPDM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109841
ICCNC(=O)C1CCC2C(C1)C2	MCULE-5376302235	293.145	NWLQWHKXMFACNB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109842
ICCNC(=O)C1CCCC2C1C2	MCULE-5594261776	293.145	ZGUAMSHRYZGTJB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109843
Brc1ccc(cc1)C#CC12OC1CCC(C2=O)([2H])[2H]	PC-id_102499349	293.152	HBTDKWSJTPPSQO-CBTSVUPCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109844
Brc1ccc(C#CC2(O)C3OC3CCC2)cc1	PC-id_24178979	293.156	HAXBEZVWHRIECM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109845
Brc1ccc(C(=O)C2C3C2C(=O)CCC3)cc1	PC-id_73158306	293.156	CKTXYEOVZDUZNF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109846
Brc1ccc(C(=O)[C@@H]2[C@@H]3[C@H]2C(=O)CCC3)cc1	PC-id_11974273	293.156	CKTXYEOVZDUZNF-WCFLWFBJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109847
O=C1CCC[C@@H]2[C@H]1[C@H]2C(=O)c1ccc(cc1)Br	PC-id_101411660	293.156	CKTXYEOVZDUZNF-RTXFEEFZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109848
C1CC1CN(CC2CC2)C34C(C3C(=O)O)CCC4C(=O)O	PC-id_150711515	293.163	JNZHFVJXGQSDJI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-109849
C1CC1CN(CC2CC2)OC(=O)C3CCC4C3C4C(=O)O	PC-id_154449018	293.163	FYTQICYAHOVSBM-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-109850
C1C[C@@H]2[C@@H](C2COC(=O)CCC[C@@H](C(=O)O)N)CCC#C1	PC-id_149078465	293.163	QPQRJUISZBATDO-PIGZVRMJSA-N	00100000000000000110010000000000000000000000000000000000	22-01-109851
COC(=O)[C@H](C[C@H]1CCC(=O)[C@H]2[C@@H]1O2)N(CC=C)CC=C	PC-id_165341001	293.163	XCIYGRGHCNTNCO-OSRDXIQISA-N	00100000000010000000010000000000000000000000000000000000	22-01-109852
C1C2C(C2C[N-]CC3=CC=C(C=C3)OC4=CC=CC=C4)CN1	PC-id_154495127	293.166	RUJXZJWRNYINDQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-109853
CC1CC2C(O2)CC1CC3C4C(O4)CC(C3(C)C(=O)[O-])C	PC-id_160112503	293.176	OVUCUBMCRPYGJA-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-109854
CCC1CC2C(O2)CC1CC3(CC4C(O4)CC3C)C(=O)[O-]	PC-id_152500425	293.176	YDIRJLGEVXPLDF-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-109855
CCC(C)(CN1C2C1CC(C2)C)I	SCHEMBL20204811,PC-id_134556361	293.188	MHLJBCUUDXFMJP-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-109856
CC(C)(CCCCCC(C(=O)N1[C@@H](CC2=CC12)C#N)N)F	PC-id_163587115	293.19	GMKFIGJEPYEVMH-HSBZDZAISA-N	00110010000000000000010000000000000000000000000000000000	22-01-109857
BrC(C1OC(CC2C1C2)C(O)CCO)CC	PC-id_78093843	293.197	MKYJPAGDGVUZMY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109858
BrC(C1O[C@H](CC2C1C2)[C@H](O)CCO)CC	PC-id_71514411	293.197	MKYJPAGDGVUZMY-JRGLNUFMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-109859
CCC(C)C1(C2C1CN(C2)CCOCC(F)(F)F)CC	PC-id_147819944	293.197	HPAPIUBDFKRBPO-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-109860
Brc1ccc(CC(=O)C2C3C2CCCC3)cc1	PC-id_81630778	293.199	LANQGDYVAMVAIB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109861
Brc1c(cc(C(=O)C2C3C2CCC3)c(c1)C)C	PC-id_81624969	293.199	BMZACBKYXQPTEH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109862
Brc1cc(CC(=O)C2C3C2CCCC3)ccc1	PC-id_81631812	293.199	MABBCNDNXQVRBT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109863
Brc1c(cc(C(=O)C2CC3C(C3)C2)c(c1)C)C	PC-id_80467253	293.199	VGZIJEBHPIBFIP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109864
C=CC12CCNC(=O)CCCC(=O)CCCCCCC1O2	PC-id_153729301	293.199	OODKPNPBZBZBPO-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-109865
O=C(C1C2C1CCCC2)Cc1ccccc1Br	PC-id_114962547	293.199	UBCBMXXWGHNEEG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109866
BrC(C1CCS(=O)(=O)C1)C1CC2C(C1)C2	MCULE-4025482897	293.22	IEQQUSQVYGCNLV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-109867
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cncc(O)n1	EMOLS-id_317367996,MCULE-1297971489,ZINC22_1704331063,PC-id_135111478	293.232	NSAXZXYVKZZGIC-TXEJJXNPSA-N	00100010000000100001010000000000000000000000000000000000	22-01-109868
Cc1ncc(c(=O)[nH]1)OC(=O)NC1=CC(=O)C2C(C1O)O2	PC-id_118021421,SCHEMBL16650230	293.232	XINNAMGULVZVIY-UHFFFAOYSA-N	00100000000011100001010000000000000000000000000000000000	22-01-109869
COc1nccnc1OC(=O)NC1=CC(=O)C2C(C1O)O2	PC-id_118021200,SCHEMBL16649800	293.232	PSBMFHUBTMEKJS-UHFFFAOYSA-N	00100000000011100001010000000000000000000000000000000000	22-01-109870
BrC(C1C2C1CCC2)c1ccc(cc1)C(C)C	PC-id_81636185	293.242	MALLGUAGWYIDAJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109871
BrC(C1C2C1CCC2)c1ccc(cc1)CCC	PC-id_81636339	293.242	GBTYQMMRAPMXPQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109872
BrC(C1C2C1CCC2)c1c(cc(cc1C)C)C	PC-id_81636799	293.242	TYVJGUHGKJQYBY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109873
BrC(C1C2C1CCC2)Cc1cc(c(cc1)C)C	PC-id_81636871	293.242	BZJUKJIANXBLME-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-109874
BrC(C1C2C1CCCC2)c1c(cc(cc1)C)C	PC-id_81637648	293.242	MCVUXEJKDGKJOU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109877
BrC(C1C2C1CCCC2)c1c(ccc(c1)C)C	PC-id_81638307	293.242	MHESCIDQWHIURJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109878
BrC(C1C2C1CCCC2)c1ccc(cc1)CC	PC-id_81638311	293.242	ORLBLAZPZILYIC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-109879
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s1c(NC(=O)C2C3C2CCCC3)c(cc1CC)C(=O)O	PC-id_81624261	293.381	LXVIEOSAAHEIBX-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-110180
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N(CC1(CC2C(C2)C1)CCCCCCCCC)C(C)(C)C	PC-id_80471992	293.53	UBZLHIORIKHFIE-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-110441
N(CC1(CC2C(C2)C1)CCCCCCCCC)CC(C)C	PC-id_80472110	293.53	APOZKVIOJKLVKJ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-110442
[CH]=C[C@]12C[C@@]1(C)C[C@@H](CC2(C)C)O[Si](C(C)(C)C)(C)C	PC-id_102479251	293.54	XRJPLZHGZDVNDE-ZTFGCOKTSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110443
Clc1cc(OC[C@@H]2C[C@H]3C[C@H]3N2)c(Cl)nc1Cl	CHEMBL4651047	293.577	CKRXLDDIUCBOSQ-VMHSAVOQSA-N	00100010000000101000010000000000000000000000000000000000	22-01-110444
Brc1ccc(s1)C(C12COCC1C2)Cl	MCULE-9313043266	293.608	DSBAPDJHZWNQMN-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-110445
Brc1ccsc1C(C12COCC1C2)Cl	MCULE-3930961950	293.608	GXBYJPCDNORRJD-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-110446
Clc1ccc(s1)C(C12COCC1C2)Br	MCULE-7390696717	293.608	KNJKHDBHUIINEP-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-110447
Clc1ccsc1C(C12COCC1C2)Br	MCULE-3431312098	293.608	QLXNNLQLIQLMPV-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-110448
Clc1cc(C(=O)CN2C(=O)C3C(C3)C2=O)ccc1OC	PC-id_64834754	293.702	NMTVXUJPJYFPNC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110449
Clc1cc(N)c(NC(=O)CN2C(=O)C3C(C3)C2=O)cc1	PC-id_64836780	293.706	CKCGJYGLMSLISN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110450
Clc1cc(NC(=O)CN2C(=O)C3C(C3)C2=O)c(N)cc1	PC-id_64836406	293.706	ZXZIZCOFGSHJOE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110451
Clc1c(N)cc(NC(=O)CN2C(=O)C3C(C3)C2=O)cc1	PC-id_64837355	293.706	STSFMHMCRXRNFF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110452
Clc1c(NC(=O)CN2C(=O)C3C(C3)C2=O)ccc(N)c1	PC-id_64837547	293.706	KQRSPJJGOYWZCF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110453
Clc1c(NC(=O)CN2C(=O)C3C(C3)C2=O)cc(N)cc1	PC-id_64834700	293.706	NPNMUOLJRREUBS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110454
CC(C)(C)OC(=O)N1CCC2C1C2(F)C(=O)OCCl	EMOLS-id_189875079,MCULE-9226460196	293.719	OXMNIABDOKKDGR-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110455
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1[C@@]2(F)C(=O)OCCl	MCULE-5352603836,EMOLS-id_189873649	293.719	OXMNIABDOKKDGR-RGNHYFCHSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110456
CCOC(=O)C1(CC(C2C1C2CC(=O)OC)F)NCl	PC-id_89069060	293.719	WUWBBRBNRNVZNW-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-110457
CCOC(=O)[C@]1(NCl)C[C@H]([C@@H]2[C@H]1[C@H]2CC(=O)OC)F	SCHEMBL13360437	293.719	WUWBBRBNRNVZNW-WCRAGTEESA-N	00100010000010000000010000000000000000000000000000000000	22-01-110458
Clc1c(Cc2ccccc2)c2Oc2c(c1S)[N+](=O)[O-]	PC-id_141046012	293.726	ZYUYDSRCEGNHFZ-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-110459
Clc1ccc(cc1)C(C(=O)O)NC(=O)C1C2C1CCC2	MCULE-7991273182,EMOLS-id_72031173,PC-id_120206070	293.745	LSNRVCVDOONPIM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110460
Clc1ccc(C(=O)CN2CC3(C(C3)CC2)C(=O)O)cc1	PC-id_82363451	293.745	BRTRUDNWVNDWRS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110461
Clc1ccc(N(C(=O)C2C3C2CCC3)CC(=O)O)cc1	PC-id_81623017	293.745	VESWGUVNKRRSHI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110462
Clc1c(cc(NC(=O)C2C3C2CCCC3)cc1)C(=O)O	PC-id_81362660	293.745	KKYHDRUDPAXYGH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110463
Clc1cc(c(NC(=O)C2C3C2CCCC3)cc1)C(=O)O	PC-id_81623361	293.745	FLZXNKSFENJQMD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110464
Clc1cc(c(NC(=O)C2CC3C(C3)C2)cc1)C(=O)OC	PC-id_80471218	293.745	OPQGAPLQTXDYAJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110465
Clc1c(cc(NC(=O)C2CC3C(C3)C2)cc1)C(=O)OC	PC-id_80471481	293.745	YLWSKALVVSKSMZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110466
Clc1ccc(N(C(=O)C2CC3C(C3)C2)CC(=O)O)cc1	PC-id_80466232	293.745	QOEKLTFDQIFBRK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110467
Clc1cc(N(C(=O)C2C3C2CCC3)CC(=O)O)ccc1	PC-id_81622941	293.745	QBYGUJQJBGCMHV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110468
Clc1cc(NC(=O)C2C3C2CCCC3)ccc1C(=O)O	PC-id_81361457	293.745	TUGQTDYCJVLNST-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110469
Clc1cc(NC(=O)C2C3C2CCCC3)cc(c1)C(=O)O	PC-id_81362783	293.745	YBYNQPPEBKHUBK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110470
Clc1cc(NC(=O)C2C3C2CCCC3)c(cc1)C(=O)O	PC-id_81623716	293.745	RKHOWLOSIFUXNW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110471
Clc1c(c(NC(=O)C2C3C2CCCC3)ccc1)C(=O)O	PC-id_81624534	293.745	SLHULVMMJKEJBR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110472
Clc1cc(NC(=O)C2CC3C(C3)C2)c(cc1)C(=O)OC	PC-id_80472462	293.745	WXJBOVNFYXJNCA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110473
Clc1cc(N(C(=O)C2CC3C(C3)C2)CC(=O)O)ccc1	PC-id_80466210	293.745	RSKDIDPUGWCUDJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110474
Clc1c(NC(=O)C2C3C2CCCC3)cc(cc1)C(=O)O	PC-id_81623508	293.745	MXKQUIRWTNGMGY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110475
Clc1c(NC(=O)C2C3C2CCCC3)ccc(c1)C(=O)O	PC-id_81624448	293.745	PGEFULVWFLPUQJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110476
Clc1c(NC(=O)C2CC3C(C3)C2)cc(cc1)C(=O)OC	PC-id_80473908	293.745	SWRXGUUULFYQAW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110477
O=C(C1C2C1CCCC2)Nc1c(Cl)cccc1C(=O)O	PC-id_107046676	293.745	VQIIXKXQNWAQSB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110478
OC(=O)[C@@H](c1ccccc1Cl)NC(=O)C1C2C1CCC2	PC-id_107314701	293.745	GNNHJBFRXRGTEE-NWMKWIDRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110479
OC(=O)[C@@H](c1ccccc1Cl)NC(=O)C1CC2C(C1)C2	PC-id_107314295	293.745	COLDKMZQQDSWCD-HEJPYPEKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110480
Clc1ccc(nc1)CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_320016626,MCULE-1117145063	293.749	GEBZVHJUFAXMOP-OTYXRUKQSA-N	00100000000010101000010000000000000000000000000000000000	22-01-110481
Clc1cc(NC(=O)C2C3C2CCC3)c(cc1)C(=NO)N	PC-id_81637511	293.749	FCQDXAPOYGVRPV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110482
Clc1cc(NC(=O)C2CC3C(C3)C2)c(cc1)C(=NO)N	PC-id_80469485	293.749	AUIVDSYGDRRSBH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110483
Clc1c(nc(NC)cc1)CN1C(=O)C2C(C2C1=O)(C)C	PC-id_64830428	293.749	QUNKGQKJEDUPAX-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-110484
Clc1c(nc(NCCC)cc1)CN1C(=O)C2C(C2)C1=O	PC-id_64828861	293.749	RVHNQWPTEFDALR-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-110485
Clc1c(NC(=O)C2C3C2CCC3)cc(cc1)C(=NO)N	PC-id_81636222	293.749	VPDHFIJOLRAOTQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110486
Clc1c(NC(=O)C2CC3C(C3)C2)cc(cc1)C(=NO)N	PC-id_80469625	293.749	XMZKBUGZLJTMNJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110487
O/N=C(c1ccc(c(c1)Cl)NC(=O)C1C2C1CCC2)/N	PC-id_107809819	293.749	NOJLHXAKWSZYAU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110488
O/N=C(c1ccc(c(c1)Cl)NC(=O)C1CC2C(C1)C2)/N	PC-id_107809906	293.749	VVGORTHPMWPXGJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110489
OC[C@]12C[C@H]1CCCN2C(=O)c1cc(C)c(cc1C)Cl	EMOLS-id_319869453	293.788	JWCWGBLUVPEBDF-MLGOLLRUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110490
OC[C@]12C[C@H]1CCCN2C(=O)C(c1ccc(cc1)Cl)C	EMOLS-id_319613763	293.788	QJCSRYOMHDANBP-ZUZSALNQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110491
OC[C@]12C[C@H]1CCCN2C(=O)CCc1ccc(cc1)Cl	EMOLS-id_318847066	293.788	NRYBNJSXPYXCPV-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110492
OC(c1ccc(cc1)Cl)CC(=O)N1CC2C(C1)C2(C)C	PC-id_109955561	293.788	URNVVGXEGPHMPF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110493
OC(c1ccc(cc1)Cl)CNC(=O)C1C2C1CCCC2	PC-id_111860439	293.788	QZFBHAOEZKRZCH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110494
OCC(c1ccc(cc1)Cl)NC(=O)C1C2C1CCCC2	PC-id_110004522	293.788	XAZPGBMPXUIRBG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110495
CCOc1ccc(cc1CCl)NC(=O)C1C2C1CCC2	PC-id_114302961	293.789	FGQWWUPSCKQWER-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110496
CCOc1ccc(cc1CCl)NC(=O)C1CC2C(C1)C2	PC-id_114302977	293.789	PFGMLROODWFYCP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110497
Clc1ccc(OCCN(C(=O)C2CC3C(C3)C2)C)cc1	PC-id_80471591	293.789	HYHGMUCVPSTWBH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110498
Clc1cc(NC(=O)C2CC3C(C3)C2)ccc1OCCC	PC-id_80471657	293.789	JFLPOQQASYTUCR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110499
Clc1cc(NC(=O)C2CC3C(C3)C2)ccc1OC(C)C	PC-id_80471774	293.789	IHFNKFPYCBKIJE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110500
Clc1cc(NC(=O)C2CC3C(C3)C2)c(OCCC)cc1	PC-id_80471768	293.789	XBZNQTAOUVIYDZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110501
Clc1cc(OCCN(C(=O)C2CC3C(C3)C2)C)ccc1	PC-id_80471380	293.789	NLONISLOGNMHEU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110502
Clc1c(OCCN(C(=O)C2CC3C(C3)C2)C)cccc1	PC-id_80471418	293.789	CJKUCNSCVFMROB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110503
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccc(c(c1)Cl)C	EMOLS-id_318970054	293.789	IOAPBWWQYUIOHB-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110504
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccc(cc1Cl)C	MCULE-6171085055,EMOLS-id_320024872	293.789	ZMPFNMDTXBDNNF-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110505
OC[C@]12C[C@H]1CCCN2C(=O)Cc1cccc(c1Cl)C	MCULE-9297017367,EMOLS-id_320092413	293.789	NCKPTCSZELMVSX-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110506
OC[C@]12C[C@H]1CCCN2C(=O)Cc1c(C)cccc1Cl	EMOLS-id_318864377	293.789	ACIRAMXZYKUVHA-MLGOLLRUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110507
CC(C)c1ncc(Cl)c(C(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)n1	ZINC22_102728502	293.792	RAUVADXODRXFLM-NXEZZACHSA-N	00100010000000100001010000000000000000000000000000000000	22-01-110508
CC(C)c1ncc(Cl)c(C(=O)N2C[C@H]3[C@H](C2)C3(C)C)n1	ZINC22_102728506	293.792	RAUVADXODRXFLM-UWVGGRQHSA-N	00100010000000100001010000000000000000000000000000000000	22-01-110509
CC(C)c1ncc(Cl)c(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)n1	ZINC22_98013439	293.792	RAUVADXODRXFLM-AOOOYVTPSA-N	00100010000000100001010000000000000000000000000000000000	22-01-110510
CCNc1ncc(cc1Cl)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_317935546	293.792	CRNNWPLVBSYTMP-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-110511
CCN(Cc1ccc(Cl)cc1)C(=O)N[C@H]1[C@@H]2CNC[C@H]12	MCULE-6759072752,EMOLS-id_316867988,ZINC22_418679410	293.792	WUTORLREOKLUTA-WDNDVIMCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110512
Clc1c(nc(nc1)C(C)C)C(=O)N1CC2C(C2C1)(C)C	EMOLS-id_316856389,MCULE-2588726066,PC-id_71999145	293.792	RAUVADXODRXFLM-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-110513
CNc1ccc(c(c1)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(C)C)Cl	EMOLS-id_319937735,MCULE-4964685446	293.792	QAXHCMYIMVFFSY-IMRBUKKESA-N	00100010000000110000010000000000000000000000000000000000	22-01-110514
CNc1cc(Cl)ccc1C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(C)C	MCULE-1431360492,EMOLS-id_319871440	293.792	CMWOOPXVTCTQSP-IMRBUKKESA-N	00100010000000110000010000000000000000000000000000000000	22-01-110515
CN(C(=O)c1cnc(c(c1)Cl)NC1CCCC2C1C2)C	MCULE-4968217821,EMOLS-id_318320582	293.792	NOIAOLRNNFXALT-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-110516
Clc1c(CC2(CC3C(C3)C2)CNC2CC2)ccc(F)c1	PC-id_80470592	293.807	NFMJCEASWQXGEG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110517
Clc1c(CC2(CC3C(C3)C2)CNC2CC2)c(F)ccc1	PC-id_80470768	293.807	INISHWVFTGDRRX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110518
Clc1ccc(cc1CC1(CNC2CC2)CC2C(C1)C2)F	PC-id_102619984	293.807	UMZXYKFJUXILOA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110519
Clc1ccc(cc1F)CC1(CNC2CC2)CC2C(C1)C2	PC-id_107897555	293.807	UKIRHGCGTFMBDY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110520
Clc1ccc(c(c1)F)CC1(CNC2CC2)CC2C(C1)C2	PC-id_114858902	293.807	QNEDISPJIZPQHC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110521
Clc1c(cccc1F)CC1(CNC2CC2)CC2C(C1)C2	PC-id_115984267	293.807	GMERFYOSAPPPEK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110522
Fc1ccc(cc1CC1(CNC2CC2)CC2C(C1)C2)Cl	PC-id_103049805	293.807	OJVBFCINKNBJAI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110523
Fc1c(cccc1Cl)CC1(CNC2CC2)CC2C(C1)C2	PC-id_102859190	293.807	MWRUIELZLDOLDF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110524
Fc1ccc(cc1Cl)CC1(CNC2CC2)CC2C(C1)C2	PC-id_103041162	293.807	HZGUOMCYMAXUMF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110525
O/N=C/1CCCCCCCCCC2C1(Cl)S2(=O)=O	PC-id_141279329	293.81	KNMPLTDWUOEVJX-GXDHUFHOSA-N	00100000000000000100010000000000000000000000000000000000	22-01-110526
CCCNC(C1C2C1CCC2)c1ccc(c(c1)OC)Cl	PC-id_105006842	293.832	JJAVQCYCEYKNGD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110527
CCCNC(c1ccc(c(c1)OC)Cl)C1CC2C(C1)C2	PC-id_105006789	293.832	KXAFPDBQIYUXIO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110528
CCCNC(c1cc(Cl)ccc1OC)C1C2C1CCC2	PC-id_104546071	293.832	GCXYVBKQUBLDQP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110529
CCCNC(c1cc(Cl)ccc1OC)C1CC2C(C1)C2	PC-id_104546034	293.832	HRWZDJURIIVBEL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110530
CCNC(C1C2C1CCC2)Cc1cc(Cl)ccc1OC	PC-id_115845019	293.832	KXUFZURSIBHBHK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110531
CCNC(C1C2C1CCCC2)c1ccc(c(c1)OC)Cl	PC-id_105006774	293.832	VWBWHTICRNSWDM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110532
CCNC(C1CC2C(C1)C2)Cc1cc(Cl)ccc1OC	PC-id_115844888	293.832	XUONZYGFXXJPEQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110533
CCNC(c1cc(Cl)ccc1OC)C1C2C1CCCC2	PC-id_104546022	293.832	CFKKLWRFEPUPOH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110534
Clc1c(CC2(CC3C(C3)C2)CNCCOC)cccc1	PC-id_80472003	293.832	OTZNBZUHSLEKTA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110535
Clc1cc(CC2(CC3C(C3)C2)CNCC)c(OC)cc1	PC-id_80470234	293.832	QKYPIOFTRSNJIO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110536
Clc1cc(CC2(CC3C(C3)C2)CNCCOC)ccc1	PC-id_80471883	293.832	MWTKQEZFOVSEOV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110537
Clc1ccc(CC2(CC3C(C3)C2)CNCCOC)cc1	PC-id_80472182	293.832	ZVFZBSLDSWKHDS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110538
Clc1cc(C(NCC)C2C3C2CCCC3)ccc1OC	PC-id_81624716	293.832	XHJIHPWLQKMQKF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110539
Clc1cc(C(NCCC)C2C3C2CCC3)ccc1OC	PC-id_81625222	293.832	PUUYYLFKIOBJOK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110540
Clc1cc(C(NCCC)C2CC3C(C3)C2)ccc1OC	PC-id_80468481	293.832	AQHGXYDNEWHTAY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110541
Clc1c(C(NCC)C2C3C2CCCC3)ccc(OC)c1	PC-id_81630345	293.832	VQBATRSEEYKNBZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110542
Clc1c(C(NCCC)C2C3C2CCC3)ccc(OC)c1	PC-id_81630455	293.832	SOBALSQGTFCQKI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110543
Clc1c(C(NCCC)C2CC3C(C3)C2)ccc(OC)c1	PC-id_80468464	293.832	VNPYNZVZCZUMQA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110544
CNC(C1C2C1CCCC2)Cc1cc(Cl)ccc1OC	PC-id_115844881	293.832	BHUIAPABWIDKCV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110545
Cc1nn(c(c1CC1(CNC2CC2)CC2C(C1)C2)Cl)C	PC-id_116071019	293.835	NCUOAJVELBLZCT-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-110546
Clc1c(n(nc1C)C)CC1(CC2C(C2)C1)CNC1CC1	PC-id_80470703	293.835	YJXIAWAMQBKYLE-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-110547
C1=C(C2C(C2=C1S(=O)(=O)O)C(F)(F)F)C(F)(F)F	PC-id_148823683	293.979	OSGZWSJRIABQNT-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-110548
C[C@]12CC=CC(=O)[C@]1(C2(Br)Br)C	PC-id_134888156	293.983	SDOWASWMGASQQD-JGVFFNPUSA-N	00100000000011000000010000000000000000000000000000000000	22-01-110549
N#CCN1CCC2C(C1)C2(Br)Br	EMOLS-id_262335374	293.986	SQHLSVDFJIRCRS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110550
N#CCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262335377	293.986	SQHLSVDFJIRCRS-NKWVEPMBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110551
C1=CC=C(C(=C1)NNC2=C(C=CC3=C2[Se]3)O)O	PC-id_153363838	293.991	NYACLHYGWDJSHK-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-110552
CN(C)C(=N)C1=CC2[C@H](C2F)C=[I]1	PC-id_163957961	294.003	SFAWSWPROQBPJN-NAJVVJGSSA-N	00100000000011000000010000000000000000000000000000000000	22-01-110553
BrC1(Br)C2(C1CCC2)CCC=C	PC-id_15169077	294.026	OSVLCBHQSYKPNU-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-110554
BrC1(Br)C2C1C=CCCCCC2	PC-id_86150735	294.026	GDWOMYPOVNTFRU-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-110555
BrC1(C2C1CCCC2)/C(=C/C)/Br	PC-id_10379668	294.026	LMGZKFZNWIXMIL-MBXJOHMKSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110556
BrC1(C2C1CCCC2)C(=CC)Br	PC-id_85126913	294.026	LMGZKFZNWIXMIL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110557
C1CCCC2/C(=CCC1)/C2(Br)Br	PC-id_134896989	294.026	SGMYSVLBIBCINV-SOFGYWHQSA-N	00100000000000000110010000000000000000000000000000000000	22-01-110558
CC1=C(N=C(C=C1)Br)CC(=O)[C@@H]2C[C@@H]3C[C@@H]3N2	PC-id_160446242	294.037	GWCMRBSVLDCAAM-LSJOCFKGSA-N	00100010000000101000010000000000000000000000000000000000	22-01-110559
IC1=C[C@@H](OC(=O)C)[C@@H]2O[C@@H]2C1=O	PC-id_44603703	294.043	AHNRBIRBPQHELT-MHSYXAOVSA-N	00100000000011000000010000000000000000000000000000000000	22-01-110560
IC1=CC(OC(=O)C)C2OC2C1=O	PC-id_75079115	294.043	AHNRBIRBPQHELT-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-110561
C1C2C1(CN(C2)S(=O)(=O)C3=CC=CC=C3)CN=C=S	PC-id_154323569	294.05	NDEYKTLLXQDGHS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110562
C1CC(C2(C1C2C(=O)O)S(=O)C3=CC=CC=C3)C(=O)O	PC-id_153810602	294.056	OOBDEEVVWITTLL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110563
CC(C(C)(C1CCC2C(C1)N2)I)N	PC-id_163934619	294.059	RLQDIJXDQVZHGC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110564
C1C(CC2C1C2C(=O)[O-])C(=O)NCC3=NC=CN=C3Cl	PC-id_153678875	294.065	VTSGAXJTNFWWBQ-UHFFFAOYSA-M	00100010000010100001010000000000000000000000000000000000	22-01-110565
CC(=O)OC1=CC(=C=CC(=C2CC2(C=C1)F)CC(=O)O)F	PC-id_164015481	294.07	UUWYLHMXNOQHPR-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-110566
COC(=O)Cc1ccc(cc1)O[C@H]1C(C(=C2C(O1)O2)O)O	PC-id_163672056	294.074	JDKGOCAVSCHIDP-HRDQMINSSA-N	00100000000011110000010000000000000000000000000000000000	22-01-110567
C1[C@@H]2[C@H]1[C@H](N(C2)C(=O)O)CNC(=O)C3=CC(=CC=C3)Cl	PC-id_153869474	294.077	MXLKMUVRUQJMMY-ZMLRMANQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110568
CNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)[C@@H]2[C@@H]3[C@H]2OCC3	PC-id_165119303	294.077	OZUQWNJCORCUTB-YUSALJHKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110569
CC(=O)OC1C=C(I)C(C2C1O2)C	PC-id_58391825,SCHEMBL12346247	294.086	NNRLWLLXTDJHHE-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-110570
ICC1(OCC2OC12C)OCC#C	PC-id_85394127	294.086	UGJSXYMDUWEBGF-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110571
IC[C@@]1(OC[C@@H]2O[C@]12C)OCC#C	PC-id_11087665	294.086	UGJSXYMDUWEBGF-CIUDSAMLSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110572
IC[C@]1(OC[C@@H]2O[C@]12C)OCC#C	PC-id_11140931	294.086	UGJSXYMDUWEBGF-XHNCKOQMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110573
C(CCO[C@H]1C([C@H]2C([C@@]2(C(O1)CO)O)O)O)CCS	PC-id_165072889	294.114	TUZJLBSMLWRNAX-NPDDCVLQSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110574
IC(C1OC(=O)C2C1C2(C)C)(C)C	PC-id_20566141,SCHEMBL11333101	294.129	AAUPEDMYGAQBAP-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110575
IC(C1OC(=O)[C@@H]2[C@H]1C2(C)C)(C)C	SCHEMBL11341270,PC-id_53633061	294.129	AAUPEDMYGAQBAP-JEAXJGTLSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110576
C/C=C(C(=NN)C(=O)N1CCOC2C(=C)C2(C1)C)/[N+](=O)[O-]	PC-id_164080327	294.133	HVGIXNZKDOFXRK-MLSGFQIASA-N	00100000000000000101010000000000000000000000000000000000	22-01-110577
CC1[C@@H]2[C@]1(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)CN	PC-id_162367507	294.14	UPLRWVJVPBKPIQ-JENMUQSASA-N	00100000000010110000010000000000000000000000000000000000	22-01-110578
Brc1ccc(C(N2C(=O)C3C(C3)C2=O)C)cc1	PC-id_54965199	294.144	ARNHRSXIOZGLJT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110579
Brc1cc(C(N2C(=O)C3C(C3)C2=O)C)ccc1	PC-id_54968000	294.144	IYXIOWBJZARPKS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110580
CC=CC(=O)OCC1(CCC2C(C1)O2)COC(=O)C=CC	PC-id_154269704	294.147	JNRCEXNSVKGUKO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110581
CC1(CCC(C2(C1O2)C)OC3=NC(=CC(=N3)OC)OC)C	PC-id_153753389	294.158	CXHLTZIGGBJPNK-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-110582
CC(C)(C)OC(=O)N1CC2C(C1)C2C(C3=NN(C=N3)C)O	PC-id_165367075	294.169	BDNXVXCFBAIGGR-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-110583
CC(C(C1CCC2(C(C1)O2)C)C)I	SCHEMBL18755254	294.172	YONQSYZIBBXKME-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110584
IC1C2OC2(CCC1)CC(C)(C)C	PC-id_85291719	294.172	YJVZSQNGCXGSTB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110585
IC1CC2C(C2(C)C)CC1(OC)C	PC-id_71370964	294.172	NNCOEKWPZABVLY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110586
IC1[C@H]2O[C@]2(CCC1)CC(C)(C)C	PC-id_10859346	294.172	YJVZSQNGCXGSTB-HOGWDWRMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110587
I[C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(OC)C	PC-id_11173905	294.172	NNCOEKWPZABVLY-PKIKSRDPSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110588
C[C@@H](NCCN1CCCC2C1C2)I	SCHEMBL20079273,PC-id_134444046	294.176	YFTLBSWFUJXLQO-XNWIYYODSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110589
Clc1cc(C(C(=O)C2C3C2CCC3)C#N)ccc1Cl	PC-id_81630192	294.176	OOXUZTSSOLPRFR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110590
Clc1cc(C(C(=O)C2CC3C(C3)C2)C#N)ccc1Cl	PC-id_80467577	294.176	GWNGOWKZIUWYMM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110591
Clc1c(C(C(=O)C2C3C2CCC3)C#N)ccc(Cl)c1	PC-id_81630521	294.176	RUIXOAJGTPOEBR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110592
Clc1c(C(C(=O)C2C3C2CCC3)C#N)c(Cl)ccc1	PC-id_81630402	294.176	PKTVQXZKOZYCAQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110593
Clc1c(C(C(=O)C2CC3C(C3)C2)C#N)ccc(Cl)c1	PC-id_80467689	294.176	GEQJROCUDOEPOG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110594
Clc1c(C(C(=O)C2CC3C(C3)C2)C#N)c(Cl)ccc1	PC-id_80467417	294.176	WJWGMEMFTQMTLT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110595
C1CC2C(O2)CC1CCCCOC(=O)C3CCC4C(C3)O4	PC-id_153706069	294.183	SXBZCEIUTDLPKM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110596
CC1CC(CCC2C1O2)COC(=O)C1CCC2C(C1C)O2	PC-id_163670848	294.183	JCJURTZRAGUQOE-UHFFFAOYSA-N	00100000000010000100010000000000000000000000000000000000	22-01-110597
CCC1CC2C(O2)CC1CC3(CC4C(O4)CC3C)C(=O)O	PC-id_152500426	294.183	YDIRJLGEVXPLDF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-110598
CC(=C)C(=O)OCC(=O)OC1(CCC2(C1(C2(C)C)C)C)C	PC-id_161128816	294.183	LGLGTKIZIWEIHJ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-110599
Brc1ccc(CNC(=O)C2C3C2CCC3)cc1	PC-id_79673047	294.187	DJIQSVKXZFJGAB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110600
Brc1ccc(CNC(=O)C2CC3C(C3)C2)cc1	PC-id_80467652	294.187	ZKVKPZLKMDUMQR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110601
Brc1c(cc(NC(=O)C2C3C2CCC3)cc1)C	PC-id_79600468	294.187	PHEWVSNJUMFMIR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110602
Brc1cc(c(NC(=O)C2C3C2CCC3)cc1)C	PC-id_79733053	294.187	VYUINYCDIXYATJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110603
Brc1cc(CNC(=O)C2C3C2CCC3)ccc1	PC-id_79673537	294.187	ULEWWLMJDWCLBE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110604
Brc1ccc(NC(=O)C2C3CCCCC23)cc1	EMOLS-id_1189778,BAS-00313503,MCULE-5574917977,PC-id_3098899	294.187	DDIOMJGDTLZALT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110605
Brc1cc(c(NC(=O)C2CC3C(C3)C2)cc1)C	PC-id_80467443	294.187	WBTSWROWHVNULR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110606
Brc1c(cc(NC(=O)C2CC3C(C3)C2)cc1)C	PC-id_80467472	294.187	QOXGJVSVZMQZBW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110607
Brc1cc(CNC(=O)C2CC3C(C3)C2)ccc1	PC-id_80467653	294.187	ROOQHYWEAPHIPP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110608
Brc1cc(C(=O)C2C3C2CCCC3)ccc1N	PC-id_81633220	294.187	DTNHUMBCJWLQIM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110609
Brc1cc(NC(=O)C2C3C2CCC3)c(cc1)C	PC-id_79672854	294.187	BEPFLQAZKPLJKN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110610
Brc1cc(NC(=O)C2C3C2CCC3)ccc1C	PC-id_79777535	294.187	SRKBNWXPZWWNGM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110611
Brc1c(CNC(=O)C2C3C2CCC3)cccc1	PC-id_79673739	294.187	PZNSCNJDHRGHHB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110612
Brc1cc(NC(=O)C2C3C2CCCC3)ccc1	PC-id_79140015	294.187	GXPFAZSZLCOSOV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110613
Brc1cc(NC(=O)C2CC3C(C3)C2)ccc1C	PC-id_80467415	294.187	KBBUSZNQSABWDP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110614
Brc1cc(NC(=O)C2CC3C(C3)C2)c(cc1)C	PC-id_80467572	294.187	IMRMOAIWERPDMZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110615
Brc1c(CNC(=O)C2CC3C(C3)C2)cccc1	PC-id_80467685	294.187	GYCMREFREULMJU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110616
Brc1c(C(=O)C2C3C2CCCC3)ccc(N)c1	PC-id_81631928	294.187	NMOTYMUJQWREEQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110617
Brc1c(C(=O)N2C(C3C(C3)C2)C)cccc1C	PC-id_77816017	294.187	JJLGGWKGXKHUCA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110618
Brc1c(C(=O)N2C(C3C(C3)C2)C)cc(cc1)C	PC-id_77816180	294.187	JBIPZPSOWZGYRO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110619
Brc1c(C(=O)N2C(C3C(C3)C2)C)ccc(c1)C	PC-id_77816504	294.187	XKDMVGQKDXABSI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110620
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BrC[C@@H]1N2[C@@H]([C@H]2C(=O)c2ccccc2)CCC1	PC-id_11850540	294.187	LYMKJSBQRUWGMR-ABUXHAGHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110642
BrC[C@H]1N2[C@@H]([C@H]2C(=O)c2ccccc2)CCC1	PC-id_11850670	294.187	LYMKJSBQRUWGMR-IVMGVGPUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110643
Br[C@@H]([C@H]1N2[C@@H]([C@H]2C(=O)c2ccccc2)CC1)C	PC-id_11850608	294.187	TZDINMGVKLGFEU-SJOHLYIGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110644
Cc1cc(cc(c1)Br)NC(=O)C1CC2C(C1)C2	PC-id_113977089	294.187	OSXQOSKBRSMYIU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110646
CC(C1CC[C@H]2N1[C@@H]2C(=O)c1ccccc1)Br	PC-id_101267667	294.187	TZDINMGVKLGFEU-FBIMYGRGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110647
O=C(C1C2C1CCC2)Nc1cccc(c1C)Br	PC-id_103728967	294.187	CHTNQUYRQTVXFB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110648
O=C(C1C2C1CCCC2)Cc1ccc(cn1)Br	PC-id_115800997	294.187	OPQQYAFJKRDOJE-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-110649
O=C(C1C2C1CCCC2)Cc1cncc(c1)Br	PC-id_115801228	294.187	LXDINOLTXQPXLH-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-110650
O=C(C1CC2C(C1)C2)Nc1cccc(c1C)Br	PC-id_107638318	294.187	NRQHSYYZHQJGMK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110651
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Nc1ccc(cc1)Br	CoCoCo_35998	294.187	DDIOMJGDTLZALT-CLLJXQQHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110652
O=C(Nc1ccc(Br)cc1)C1[C@H]2CCCC[C@@H]12	ZINC22_18128457,PC-id_816615	294.187	DDIOMJGDTLZALT-FUNVUKJBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110653
O=C(Nc1ccc(Br)cc1)C1[C@H]2CCCC[C@H]12	ZINC22_329835	294.187	DDIOMJGDTLZALT-RYUDHWBXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110654
O=C(Nc1ccc(Br)cc1)C1[C@@H]2CCCC[C@@H]12	ZINC22_329845	294.187	DDIOMJGDTLZALT-VXGBXAGGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110655
O=C(Nc1ccc(Br)cc1)[C@@H]1[C@H]2CCCC[C@@H]12	CoCoCo_35997,ZINC22_245289631	294.187	DDIOMJGDTLZALT-ITGUQSILSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110656
CCCC12SS1(=O)(S2)I	PC-id_118457297,SCHEMBL17188526	294.197	YLEQOMVLEHAZIC-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-110657
C12(C([Si]1(C(F)(F)F)F)([Si]2(C(F)(F)F)F)F)F	SCHEMBL4657332,PC-id_87708863	294.198	TYHQOXVFIXEABS-UHFFFAOYSA-N	00101000000000000000010000000000000000000000000000000000	22-01-110658
CCCCCCCCCC12C=C(C=CC1(S2)O)C(C)C	PC-id_154322617	294.202	KIZAWDBRUUEDOT-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-110659
CCCCCCCCCCCCC1=CC2C(S2)(C=C1)O	PC-id_154210233	294.202	VVQXIXQADWIOSH-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-110660
[Se](C1C2C(C2=C)CC1)c1c([N+](=O)[O-])cccc1	PC-id_85805392	294.208	KWGPNDQJTNPWED-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110661
CC1C[C@]2(C[C@H]2N1C(C)(C)C)CNC(=O)C3=C(CCC3)F	PC-id_153306540	294.211	ZTRJLZSWRNTFTO-BEOMQEAPSA-N	00100011000000000000010000000000000000000000000000000000	22-01-110662
CCCCOC(=O)C(=C)C(CC1CC2C[C@@]2(C1(C)C)C)O	PC-id_164818454	294.219	FMASEBXAFDVGNA-VLVBFLKRSA-N	00100010000010000000010000000000000000000000000000000000	22-01-110663
CCC(C)NC12CC(CCC1C2)CC1C(=CNC(=N1)N)F	PC-id_164112360	294.222	XYCQMMXCHYYJHM-UHFFFAOYSA-N	00100000000011000001010000000000000000000000000000000000	22-01-110664
Brc1c(CC2(CC3C(C3)C2)CNC)cccc1	PC-id_80470245	294.23	UWVBGIWRRJLAGX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110665
Brc1cc(CC2(CC3C(C3)C2)CNC)ccc1	PC-id_80469854	294.23	HNXWQQCXQGSBJX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110666
Brc1cccc(c1)[C@@H](NC1CCCC2C1C2)C	PC-id_112740148	294.23	PHSFVWAMLZQNSL-SBRZMFFBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110667
Brc1ccc(cc1)C(NC1CCC[C@@H]2[C@H]1C2)C	PC-id_112740109	294.23	SMYGESCVNQSNJN-NBBFTKGGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110668
Brc1ccc(CC2(CC3C(C3)C2)CNC)cc1	PC-id_80469818	294.23	CSTYULRCNPKVPZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110669
Brc1ccc(CC(N)C2C3C2CCCC3)cc1	PC-id_81630437	294.23	BJVMPVSLWMVIJS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110670
Brc1ccc(CC(NC)C2C3C2CCC3)cc1	PC-id_81631111	294.23	VPCVPHDJVJGNTI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110671
Brc1ccc(CC(NC)C2CC3C(C3)C2)cc1	PC-id_80467727	294.23	USGDGZKPKKIFMJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110672
Brc1c(cc(C(N)C2C3C2CCC3)c(c1)C)C	PC-id_81630466	294.23	ISJGUXPDLUCGAL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110673
Brc1cc(CC(N)C2C3C2CCCC3)ccc1	PC-id_81630913	294.23	FQLAZOLCNRBSJU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110674
Brc1c(cc(C(N)C2CC3C(C3)C2)c(c1)C)C	PC-id_80468619	294.23	XAAXLIQONLOJPY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110675
Brc1cc(CC(NC)C2C3C2CCC3)ccc1	PC-id_81631119	294.23	RSPLBWZRHFZFKD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110676
Brc1ccc(C(NC)C2C3C2CCCC3)cc1	PC-id_81624127	294.23	PSDNUWQZNKGKRL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110677
Brc1cc(CC(NC)C2CC3C(C3)C2)ccc1	PC-id_80467556	294.23	AFESRSZPALFZBF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110678
Brc1ccc(C(NCC)C2C3C2CCC3)cc1	PC-id_81624805	294.23	IDHFJZDGADFHPO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110679
Brc1ccc(C(NCC)C2CC3C(C3)C2)cc1	PC-id_80468725	294.23	RTTFUKXQDRFMPY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110680
BrC1C(CN[C@H](c2ccccc2)C)C[C@@H]2C1C2	PC-id_139476855	294.23	NAWFIGTXUBTPFJ-QZCCVSIOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110681
BrC1[C@@H](CN[C@H](c2ccccc2)C)C[C@@H]2C1C2	SCHEMBL21343470	294.23	NAWFIGTXUBTPFJ-VLDDKHERSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110682
BrC(C1C2C1CCCC2)Cc1ncccc1C	PC-id_81632421	294.23	VRHUCEQFPSIOIY-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-110683
BrC(C1C2C1CCCC2)Cc1ncc(cc1)C	PC-id_81632911	294.23	MINBSFZWXZNTQY-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-110684
BrC(C1C2C1CCCC2)C(C)c1ccncc1	PC-id_81633896	294.23	RGDURJOMUNCWLE-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-110685
BrC(C1C2C1CCCC2)C(C)c1ncccc1	PC-id_81632666	294.23	XLOVALULDPOMRZ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-110686
BrCCCC1C2C1CN(C2)Cc1ccccc1	SCHEMBL4757571,PC-id_69176952	294.23	JGWADPZSAYMNJE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-110687
CC(c1ccccc1Br)NC1CCCC2C1C2	PC-id_112739992	294.23	OBCSUIKQAASHKQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110688
CC(Cc1ccc(cc1)Br)NC1CC[C@@H]2[C@H]1C2	PC-id_112740016	294.23	KRXKNZOHJVIVIW-NBBFTKGGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110689
CNC(C1C2C1CCC2)Cc1ccccc1Br	PC-id_115786837	294.23	HCVJFQSYJUTQGZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110690
CNC(C1CC2C(C1)C2)Cc1ccccc1Br	PC-id_115786856	294.23	VQUFFOMRRNFKPH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110691
NC(C1C2C1CCCC2)Cc1ccccc1Br	PC-id_115787583	294.23	VRCWLNUPMALBHM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-110692
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)OC(C)(C)C)CN3CCCC3)C	PC-id_154506698	294.231	KMINWLYMOSPGMN-MJBXVCDLSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110693
CC(C)(C)OC(=O)NC1CC(C1)CNC23CCCCC2C3	PC-id_154782713	294.231	LHUXTBJUBDRATG-UHFFFAOYSA-N	00101000000010000000010000000000000000000000000000000000	22-01-110694
[O-]C1=NC(=O)C2(C1(C2C(=O)c1ccc(OC)cc1)C#N)C#N	PC-id_75695274	294.242	DEJKTODKRQGORY-UHFFFAOYSA-M	00100011000000110000010000000000000000000000000000000000	22-01-110695
[O-]C1=NC(=O)[C@@]2([C@]1([C@H]2C(=O)c1ccc(OC)cc1)C#N)C#N	PC-id_51688788	294.242	DEJKTODKRQGORY-SHHSBJBSSA-M	00100011000000110000010000000000000000000000000000000000	22-01-110696
FC(F)(F)[C@]12[C@](C1)(CN(C2)C(=O)OC(C)(C)C)C(=O)[O-]	PC-id_52420786	294.247	BQIBSJZJPSLICJ-GHMZBOCLSA-M	00100010000000000000010000000000000000000000000000000000	22-01-110697
FC(F)(F)C12C(C1)C(N(C2)C(=O)OC(C)(C)C)C(=O)[O-]	PC-id_75742565	294.247	XTVMFNVLSMXZFO-UHFFFAOYSA-M	00100010000000000000010000000000000000000000000000000000	22-01-110698
FC(F)(F)C12C(C1)(CN(C2)C(=O)OC(C)(C)C)C(=O)[O-]	PC-id_75844318	294.247	BQIBSJZJPSLICJ-UHFFFAOYSA-M	00100010000000000000010000000000000000000000000000000000	22-01-110699
FC(F)(F)[C@@]12[C@@H](C1)[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)[O-]	PC-id_51922133	294.247	XTVMFNVLSMXZFO-HFJPGXAFSA-M	00100010000000000000010000000000000000000000000000000000	22-01-110700
FC(F)(F)C1(C2C1CN(C2)C(=O)OC(C)(C)C)C(=O)[O-]	PC-id_75844321	294.247	ORUGQXWDXCWADC-UHFFFAOYSA-M	00100010000000000000010000000000000000000000000000000000	22-01-110701
FC(F)(F)C1(C2C1N(CC2)C(=O)OC(C)(C)C)C(=O)[O-]	PC-id_75844319	294.247	QSDQPZGTLPIJSW-UHFFFAOYSA-M	00100010000000000000010000000000000000000000000000000000	22-01-110702
FC(F)(F)C1C2C1N(C(C2)C(=O)[O-])C(=O)OC(C)(C)C	PC-id_74420511	294.247	AYEFRRLUMIYRFX-UHFFFAOYSA-M	00100010000000000000010000000000000000000000000000000000	22-01-110703
FC(F)(F)C1([C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)C(=O)[O-]	PC-id_52420789	294.247	ORUGQXWDXCWADC-NIAPBFKXSA-M	00100010000000000000010000000000000000000000000000000000	22-01-110704
FC(F)(F)[C@]1([C@H]2[C@@H]1N(CC2)C(=O)OC(C)(C)C)C(=O)[O-]	PC-id_52420787	294.247	QSDQPZGTLPIJSW-BUYFANAVSA-M	00100010000000000000010000000000000000000000000000000000	22-01-110705
FC(F)(F)[C@@H]1[C@@H]2[C@H]1N([C@@H](C2)C(=O)[O-])C(=O)OC(C)(C)C	PC-id_25324653	294.247	AYEFRRLUMIYRFX-ULAWRXDQSA-M	00100010000000000000010000000000000000000000000000000000	22-01-110706
FC(F)(F)[C@H]1[C@H]2[C@@H]1N([C@@H](C2)C(=O)[O-])C(=O)OC(C)(C)C	PC-id_25324655	294.247	AYEFRRLUMIYRFX-XAMCCFCMSA-M	00100010000000000000010000000000000000000000000000000000	22-01-110707
C1CC(=C2C(C1)(O2)O)C(=O)OC1C=C(CC2C1O2)C(=O)O	PC-id_87931549	294.257	NSCKEJWZUWVULK-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-110708
COC(=O)C1=CC2C(O2)(C=C1C(=O)OC)COC(=O)C=C	PC-id_134915419	294.257	OKCKXNGNKFHVDM-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-110709
O=C(C1=C2OC2(CCC1)O)O[C@H]1C=C(C[C@H]2[C@H]1O2)C(=O)O	SCHEMBL6045281	294.257	NSCKEJWZUWVULK-UDAJDXAQSA-N	00100000000011000000010000000000000000000000000000000000	22-01-110710
O=C(C1=CC2OC2C=C1C(=O)OCC1OC1)OCC1OC1	PC-id_101430755	294.257	IGEIPVAPLLHAGH-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-110711
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)NC(=O)c1cnc[nH]1	PC-id_91394990,SCHEMBL6904024	294.263	RGVLMWVTQWPMHX-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-110712
O=C(c1nc[nH]c1)NC1CC(C2C1[C@@H]2C(=O)O)(N)C(=O)O	PC-id_69933115,SCHEMBL6904028	294.263	RGVLMWVTQWPMHX-CNXGYRFZSA-N	00100010100010000001010000000000000000000000000000000000	22-01-110713
OC(=O)[C@@H]1[C@@H]2[C@H]1[C@@H](NC(=O)c1[nH]cnc1)C[C@@]2(N)C(=O)O	PC-id_60096170	294.263	RGVLMWVTQWPMHX-BKVYRQRNSA-N	00100010100010000001010000000000000000000000000000000000	22-01-110714
C1(=O)C2(C#N)C(C(=O)c3ccc(OC)cc3)C2(C#N)C(=N1)N	MCULE-7809645926,PC-id_45490194,EMOLS-id_29807182,PC-id_154804092	294.265	CGRVGLMTBACJTE-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-110715
COc1ccc(C(=O)[C@H]2[C@@]3(C#N)C(=NC(=O)[C@]23C#N)N)cc1	PC-id_98083985,ZINC22_100246708	294.265	CGRVGLMTBACJTE-CQDKDKBSSA-N	00100011000000110000010000000000000000000000000000000000	22-01-110716
COc1ccc(C(=O)[C@@H]2[C@@]3(C#N)C(=NC(=O)[C@]23C#N)N)cc1	ZINC22_100246702,PC-id_98083984	294.265	CGRVGLMTBACJTE-UGFHNGPFSA-N	00100011000000110000010000000000000000000000000000000000	22-01-110717
COc1ccc(C(=O)[C@H]2[C@@]3(C#N)C(=N)N=C(O)[C@@]23C#N)cc1	PC-id_99886968,ZINC22_208313018	294.265	CGRVGLMTBACJTE-TUKIKUTGSA-N	00100011000000110000010000000000000000000000000000000000	22-01-110718
COc1ccc(C(=O)[C@@H]2[C@@]3(C#N)C(=N)N=C(O)[C@@]23C#N)cc1	PC-id_99886969,ZINC22_208313060	294.265	CGRVGLMTBACJTE-BYCMXARLSA-N	00100011000000110000010000000000000000000000000000000000	22-01-110719
COc1ccc(C(=O)[C@@H]2[C@@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1	PC-id_51802113,ZINC22_36559011	294.265	CGRVGLMTBACJTE-GLQYFDAESA-N	00100011000000110000010000000000000000000000000000000000	22-01-110720
COc1ccc(C(=O)[C@@H]2[C@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1	ZINC22_105685610,PC-id_98683025	294.265	CGRVGLMTBACJTE-NILFDRSVSA-N	00100011000000110000010000000000000000000000000000000000	22-01-110721
COc1ccc(C(=O)[C@H]2[C@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1	ZINC22_105685614,PC-id_98683026	294.265	CGRVGLMTBACJTE-KCPJHIHWSA-N	00100011000000110000010000000000000000000000000000000000	22-01-110722
COc1ccc(C(=O)[C@H]2[C@@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1	ZINC22_36559010,PC-id_51802111	294.265	CGRVGLMTBACJTE-DFBGVHRSSA-N	00100011000000110000010000000000000000000000000000000000	22-01-110723
CC[NH+](CCC1(CCC2C(C1)C2CCNC3CCC3)C)[O-]	PC-id_164969211	294.267	CWWHLAXJFQDKHX-UHFFFAOYSA-N	00101000000010000000010000000000000000000000000000000000	22-01-110724
CC(C)(C)N(C1C2C1CN(C2)C(=O)C(F)(F)F)C(=O)O	PC-id_87423636	294.27	SPAHJQFBNUTIBX-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110725
CCN(CC1[C@H]2[C@@H]1CNC2)C(=O)COC(=O)C(F)(F)F	PC-id_137360430	294.27	JUIRNPSFFNMREF-JVHMLUBASA-N	00100010000000000000010000000000000000000000000000000000	22-01-110726
CCN(CC)C(=O)[C@@H]1[C@@H]2[C@@]1(CNC2)OC(=O)C(F)(F)F	SCHEMBL20585981,PC-id_137360484	294.27	ZKQFOTSLJUTOPP-VHSKPIJISA-N	00100010000000000000010000000000000000000000000000000000	22-01-110727
CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]1[C@H]2[C@@H]1CNC2	SCHEMBL20585886	294.27	JUIRNPSFFNMREF-AYMMMOKOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110728
OC(=O)N(C(C)(C)C)C1[C@@H]2[C@H]1CN(C2)C(=O)C(F)(F)F	SCHEMBL2691413	294.27	SPAHJQFBNUTIBX-DHBOJHSNSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110729
OC(=O)N(C(C)(C)C)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)C(F)(F)F	SCHEMBL2691410	294.27	SPAHJQFBNUTIBX-JIGDXULJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110730
OC(=O)N(C(C)(C)C)[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)C(F)(F)F	SCHEMBL2691412	294.27	SPAHJQFBNUTIBX-RNLVFQAGSA-N	00100010000000000000010000000000000000000000000000000000	22-01-110731
FC(F)(F)c1cc(NC(=O)C2C3C2CCC3)ccc1C#N	PC-id_81630713	294.272	LSGBAWSGKNKYJG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110732
FC(F)(F)c1cc(NC(=O)C2CC3C(C3)C2)ccc1C#N	PC-id_80468548	294.272	SHTFYNWSRNAOBJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110733
FC(F)(F)c1c(NC(=O)C2CC3C(C3)C2)ccc(c1)C#N	PC-id_80473631	294.272	HXTNRTWARJVMGJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110734
N#Cc1cc(ccc1NC(=O)C1C2C1CCC2)C(F)(F)F	PC-id_115911266	294.272	DPFZKHPLIRORRE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110735
N#Cc1cc(ccc1NC(=O)C1CC2C(C1)C2)C(F)(F)F	PC-id_115911238	294.272	MCLHPSLOEHYDJO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110736
COC(=O)[C@@]1(F)[C@H]2[C@@H]1[C@@H](C[C@@H]2O)OC(=O)c1ccccc1	PC-id_58193978,SCHEMBL12761362	294.275	YQWWGBMSOZFBGT-MVIRXUPPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110737
FC1(C2C1C(O)CC2OC(=O)c1ccccc1)C(=O)OC	PC-id_76721130	294.275	YQWWGBMSOZFBGT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-110738
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Clc1cnn(c(=O)c1NC1C2C1CNC2)CC1CCC1	PC-id_114443921	294.78	IUBUIRHYWBQQGD-UHFFFAOYSA-N	00101010000000100001010000000000000000000000000000000000	22-01-111299
Clc1cc(NC(=O)C2C3C2CCC3)c(cc1)C(=S)N	PC-id_81631570	294.8	ZBWBEEXDTLJYRN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111300
Clc1cc(NC(=O)C2CC3C(C3)C2)c(cc1)C(=S)N	PC-id_80467738	294.8	KPAXOYGFOGLDJB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111301
Clc1c(NC(=O)C2C3C2CCC3)cc(cc1)C(=S)N	PC-id_81630866	294.8	SVCYXRJOHDCWQB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111302
Clc1c(NC(=O)C2CC3C(C3)C2)cc(cc1)C(=S)N	PC-id_80467383	294.8	GMOVSNFTIZAHNM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111303
O=C(C1C2C1CCC2)Nc1ccc(cc1Cl)C(=S)N	PC-id_107808450	294.8	UFQDVUWYZJUEIW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111304
O=C(C1CC2C(C1)C2)Nc1ccc(cc1Cl)C(=S)N	PC-id_107808359	294.8	QMAZCPNOVUENKK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111305
CCCCC[C@@]12O[C@@H]1CC[C@@H]2OCc1ccccc1Cl	PC-id_101747571	294.816	MODVOZROLCUPOG-BBWFWOEESA-N	00100010000000110000010000000000000000000000000000000000	22-01-111306
CCCCC[C@]12O[C@H]1CC[C@@H]2OCc1ccccc1Cl	PC-id_101747576	294.816	MODVOZROLCUPOG-YESZJQIVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111307
Clc1ccc(COC2C3(OC3CC2)CCCCC)cc1	PC-id_85731822	294.816	MVBSANBVGVLJFP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111308
Clc1ccc(COC(C2CC3OC3(CC2)C)(C)C)cc1	PC-id_59957051	294.816	NFLLNAUCGSEWPR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111309
Clc1c(CO[C@H]2[C@]3(O[C@H]3CC2)CCCCC)cccc1	PC-id_76326767	294.816	MODVOZROLCUPOG-IXDOHACOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111310
Clc1c(CO[C@H]2[C@@]3(O[C@@H]3CC2)CCCCC)cccc1	PC-id_76334036	294.816	MODVOZROLCUPOG-ZACQAIPSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111311
ClC(C1C2C1CCC2)c1cc(OCC)c(OCC)cc1	PC-id_81644692	294.816	GMRAUXUINFCSMJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111312
ClC(C1C2C1CCCC2)c1c(cc(OC)c(OC)c1)C	PC-id_81636962	294.816	PDBCSZDJLOLJHE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111313
ClC(C1C2C1CCCC2)Cc1cc(OC)c(OC)cc1	PC-id_81636397	294.816	ZYUAPTIIQUSNLI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111314
ClC(C1CC2C(C2)C1)c1cc(OCC)c(OCC)cc1	PC-id_80470834	294.816	NKUPHGHSXWLBAE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111315
ClCC1(CC2C(C2)C1)CCOc1c(OCC)cccc1	PC-id_80473486	294.816	JRXIKXWJMYNEHD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111316
CCn1nc(c(c1CC(=O)C1C2C1CCCC2)Cl)CC	PC-id_115778600	294.82	IDYATESULOJLCZ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-111317
CCN(CCOc1ccccc1Cl)C[C@H]1[C@@H]2CNC[C@H]12	MCULE-5434192330,EMOLS-id_49889131	294.82	SSNKTFUCOSVMIA-WDNDVIMCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111318
Clc1c(CC2(CC3C(C3)C2)CNCCOC)ccnc1	PC-id_80471789	294.82	NSPLKSSBIPVZKS-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-111319
Clc1ccc(CN(CC2[C@H]3[C@@H]2CNC3)CCCO)cc1	PC-id_77083558	294.82	DCXZGCYVDDEDFJ-XYPWUTKMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111320
Clc1c(OCCN(CC2[C@@H]3[C@H]2CNC3)CC)cccc1	PC-id_77091617	294.82	SSNKTFUCOSVMIA-PBWFPOADSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111321
NNC(C1C2C1CCCC2)Cc1cc(Cl)ccc1OC	PC-id_105297614	294.82	VLDQHFLGGSDHJH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111322
OCCCN(Cc1ccc(cc1)Cl)C[C@@H]1[C@@H]2[C@H]1CNC2	MCULE-7218266661,EMOLS-id_49875168	294.82	DCXZGCYVDDEDFJ-ZSHCYNCHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111323
C1C(CC2C1C2(F)F)NC3=NN=C(S3)Br	PC-id_164655443,MCULE-5832110692	294.959	GTCRCNMPGKTMJS-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-111324
BrC1(Br)C2C1CC(C2)CN=[N+]=[N-]	PC-id_85240524	294.974	YORZQTNKEPZZMI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-111325
BrC1(Br)[C@@H]2[C@H]1CC(C2)CN=[N+]=[N-]	PC-id_10708966	294.974	YORZQTNKEPZZMI-GOHHTPAQSA-N	00100010000010000000010000000000000000000000000000000000	22-01-111326
C=CCN1CCC2C(C1)C2(Br)Br	EMOLS-id_107402767	295.014	UJRRKTWKEIWUIJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-111327
C=CCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262340472	295.014	UJRRKTWKEIWUIJ-JGVFFNPUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-111328
CC1=CC=C(C=C1)S(=O)(=O)OC23CCCC2C3C(=O)[O-]	PC-id_153921740	295.065	JSNMHNLWOGCWSI-UHFFFAOYSA-M	00100010000010110000010000000000000000000000000000000000	22-01-111329
CC1=C(C=CC(=N1)C(F)(F)F)C(=O)C23CC2C=CC(=O)C3	PC-id_153900568	295.082	UNAKJWMUGOFISZ-UHFFFAOYSA-N	00100000000011101000010000000000000000000000000000000000	22-01-111330
CC1[C@@H]2[C@@H]([C@H]2C(=O)O)CN1S(=O)(=O)C3=CC=C(C=C3)C	PC-id_154978003	295.088	NCNBCTCXWYQQJK-HGDNVOPISA-N	00100010000000110000010000000000000000000000000000000000	22-01-111331
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CC3C2	PC-id_154174628	295.099	MRSMDCOLJUEYKQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111332
CC(C)(C)OC(=O)NC12C(CC(=C)C1C2C(=O)[O-])C(=O)[O-]	PC-id_154449020	295.107	QAIKYFKGLQOOOE-UHFFFAOYSA-L	00100010000000000000010000000000000000000000000000000000	22-01-111333
CC(C)(C)OC(=O)N[C@]1(CC(=C)[C@@H]2[C@H]1[C@H]2C(=O)[O-])C(=O)[O-]	PC-id_153931204	295.107	MWRBYIDAFRMDHN-FMCOEWMSSA-L	00100010000000000000010000000000000000000000000000000000	22-01-111334
CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@]3(C[C@@]3(C2)CO)C	PC-id_162367487	295.124	OEFPFTRGTVEFOT-HUUCEWRRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111335
CCS(=O)(=O)c1cnc(cc1)[C@H](CO)C1(C2C1C2C)C	PC-id_163661408	295.124	IUSFVWLZMMUUMF-WKJUWBNRSA-N	00101000000000101000010000000000000000000000000000000000	22-01-111336
Brc1ccc(c(c1)N)CN1C(=O)C2C(C1=O)C2	PC-id_114380610	295.132	ZQZSJKIZSQZUPJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111337
Brc1c(CN2C(=O)C3C(C3)C2=O)ccc(N)c1	PC-id_64837167	295.132	VUIWXFPXCMWMRE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111338
Brc1c(CN2C(=O)C3C(C3)C2=O)c(N)ccc1	PC-id_64835073	295.132	OJZQHJLPGHIUEX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111339
NC1C2C1C(=O)N(C2=O)Cc1cccc(c1)Br	PC-id_115009893	295.132	VULKOZCFBKIGKD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111340
NC1C2C1C(=O)N(C2=O)Cc1ccccc1Br	PC-id_115009919	295.132	SWMLWXIDDNIQQP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111341
NC1C2C1C(=O)N(C2=O)Cc1ccc(cc1)Br	PC-id_115009944	295.132	BSMKGYYHWZIGJM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111342
Nc1cc(cc(c1)Br)CN1C(=O)C2C(C1=O)C2	PC-id_103350153	295.132	JIQNPKAVEDARJZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111343
O=C1C2CC2C(=O)N1Cc1cccc(c1Br)N	PC-id_108171823	295.132	SHBQRXAOYAZKMH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111344
O=C1N(Cc2ccc(c(c2)N)Br)C(=O)C2C1C2	PC-id_115557385	295.132	WVJHMRDYJUYHNE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111345
B(c1ccccc1C=CC(=O)NCC1=CC=CC2C1C2)(O)O	PC-id_163750395	295.138	LPMJWIYHVJYVNT-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-111346
CC1=CC(=C(O1)C2=CC=CC=C2)C(=O)N3[C@@H](C[C@H]4[C@@H]3C4)C[NH-]	PC-id_160736470	295.145	RVABHQLYRMUEPY-YCPHGPKFSA-N	00100010101000110000110000000000000000000000000000000000	22-01-111347
FC1(F)C2C1CC(C2)Nc1scc(n1)Br	MCULE-3337658661	295.147	CCUPWOYJFSQIEO-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-111348
CC(C)(C)C1C2C1CN(C2)CC(C3=CC=C(C=C3)Cl)F	PC-id_154984926	295.15	PIPTZOPDZDOEMO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111349
CC(C)(C)OC(=O)c1c(c2c(C2)c(c1)Cc1ccccc1)N	PC-id_163653033	295.157	INVORORUSCIHQE-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-111350
OCC1CCC(CC1)C[I]1C2C1N2	PC-id_144367065	295.16	HDDJMRQYJJDCLV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-111351
CC[N+](C)(CCOC(=O)O)CC1=CC(C(C2=C[C@H]12)N=O)C	PC-id_163802061	295.165	NFVXIOGQXDUNHP-CEARFRKXSA-O	00110000000011000000010000000000000000000000000000000000	22-01-111352
Brc1c(CC2(CC3C(C3)C2)C(=O)O)cccc1	PC-id_80468196	295.172	IAJNAKBIKKDLJG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111353
Brc1cc(CC2(CC3C(C3)C2)C(=O)O)ccc1	PC-id_80467917	295.172	JQJOYGMNNLZYRF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111354
Brc1ccc(CC2(CC3C(C3)C2)C(=O)O)cc1	PC-id_80467857	295.172	VODNDIYWVKJPID-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111355
Brc1cc(C(=O)C2C3C2CCC3)ccc1OC	PC-id_81623916	295.172	ZDOJMXHRBYAKSK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111356
Brc1cc(C(=O)C2C3C2CCC3)c(OC)cc1	PC-id_81624092	295.172	OJHJJSMXXDZHKR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111357
Brc1cc(C(=O)C2CC3C(C3)C2)ccc1OC	PC-id_80466977	295.172	AOOFDRGMPLXGTC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111358
Brc1cc(C(=O)C2CC3C(C3)C2)c(OC)cc1	PC-id_80466978	295.172	IEUJFULWAOTGJR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111359
Brc1c(C(=O)C2C3C2CCC3)ccc(OC)c1	PC-id_81624758	295.172	RBYBGHNCZUQIHM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111360
Brc1c(C(=O)C2CC3C(C3)C2)ccc(OC)c1	PC-id_80467223	295.172	OYPLWXQUKTZXCZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111361
Brc1cccc(c1)CC[C@H]1CC2OC2C(=N1)N	PC-id_143728807	295.175	MEHVJQPBEDOHFU-UNXYVOJBSA-N	00100000000011110000010000000000000000000000000000000000	22-01-111362
Brc1cccc(c1)C(=O)NCC1CC2C(N1)C2	SCHEMBL1571884,PC-id_67081222	295.175	QBETZYKNJZPAIH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111363
Brc1cccc(c1)C(=O)NC[C@@H]1C[C@H]2[C@@H](N1)C2	SCHEMBL1571882,PC-id_67081221	295.175	QBETZYKNJZPAIH-USWWRNFRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111364
Brc1ccc(c(c1)N)C(=O)N[C@@]12CCC[C@@H]1C2	EMOLS-id_319172080	295.175	WPMOKXAOMDVHBL-AMIZOPFISA-N	00100010000010110000010000000000000000000000000000000000	22-01-111365
Brc1ccc(CC(=O)NC2C3C2CNC3)cc1	PC-id_43594500	295.175	GNFGOOJDVJFLOM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111366
Brc1cc(c(C(=O)NC2C3C2CNC3)cc1)C	PC-id_43630054	295.175	IAALXYQWGZEIII-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111367
Brc1cc(CC(=O)NC2C3C2CNC3)ccc1	PC-id_61992317	295.175	UNVGORTVYNMBBU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111368
Brc1ccc(nc1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102426346	295.175	XSXWECWDNYMOEO-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-111369
Brc1cccnc1C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102692268	295.175	OMCZSXQHYTXTRE-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-111370
Brc1c(cc(NC(=O)C2C3C2CCC3)nc1)C	PC-id_81630517	295.175	QSLYVTMTPPUDEU-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-111371
Brc1cc(c(NC(=O)C2C3C2CCC3)nc1)C	PC-id_83170857	295.175	UMHZNZOSWSXVOO-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-111372
Brc1ccc(NC(=O)C2C3C2CCCC3)nc1	PC-id_79166495	295.175	BGCOQYPOIGIFMS-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-111373
Brc1c(cc(NC(=O)C2CC3C(C3)C2)nc1)C	PC-id_80467605	295.175	CYQHZXVWXQMAOI-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-111374
Brc1cc(c(NC(=O)C2CC3C(C3)C2)nc1)C	PC-id_83170147	295.175	KAFDMNBDFWWKMD-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-111375
Brc1cc(C(=O)NC2C3C2CNC3)c(cc1)C	PC-id_65312004	295.175	FATIYDPOPODFFY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111376
Brc1c(c(C(=O)NC2C3C2CNC3)ccc1)C	PC-id_65542550	295.175	BRHCHSFJMFZFKV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111377
Brc1cc(C(=O)NC2C3C2CNC3)ccc1C	PC-id_81471905	295.175	KZTTWACKSZIZHD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111378
Brc1cc(N)c(NC(=O)C2C3C2CCC3)cc1	PC-id_81623776	295.175	RUOLPLKABCJENR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111379
Brc1cc(N)c(NC(=O)C2CC3C(C3)C2)cc1	PC-id_80466199	295.175	WZASCDZYMWIQLU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111380
Brc1cc(NC(=O)C2C3C2CCC3)ccc1N	PC-id_82862226	295.175	KEFQJQYPYCDLAT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111381
Brc1cc(NC(=O)C2CC3C(C3)C2)ccc1N	PC-id_82862463	295.175	JGYVLWZZFOGJAP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111382
Brc1c(C(=O)N2C(C3C(C3)C2)CN)cccc1	PC-id_72541998	295.175	LOFONGOKCHOTGI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111383
Brc1c(C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)CN)cccc1	SCHEMBL13538909,PC-id_59153360	295.175	LOFONGOKCHOTGI-HLUHBDAQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111384
Brc1c(C(=O)NC2C3C2CNC3)cc(cc1)C	PC-id_81111433	295.175	HBUJANRGSOLNKP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111385
Brc1c(C(=O)NC2C3C2CNC3)ccc(c1)C	PC-id_81789321	295.175	DUAQZALDAQXBDJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111386
Brc1cncc(c1)CNC(=O)[C@@]12CCC[C@@H]1C2	EMOLS-id_319105246	295.175	SZXHGOLAWOLNOC-ZWNOBZJWSA-N	00100010000010101000010000000000000000000000000000000000	22-01-111387
Brc1cnccc1C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102453906	295.175	NZWYEUQFBSYHRE-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-111388
Brc1cncc(c1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_102548359	295.175	ZBFPOXXXVOUNCZ-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-111389
Brc1c(N)cc(NC(=O)C2C3C2CCC3)cc1	PC-id_81622715	295.175	LIJZZNRQMOREHS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111390
Brc1c(N)cc(NC(=O)C2CC3C(C3)C2)cc1	PC-id_80466164	295.175	ZJQBEOBLIYQJGS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111391
Brc1c(nc(NC(=O)C2C3C2CCC3)cc1)C	PC-id_81630516	295.175	NATCEGWFRZBNPM-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-111392
Brc1c(nc(NC(=O)C2CC3C(C3)C2)cc1)C	PC-id_80467604	295.175	MMVYRZMPJHDGFU-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-111393
Brc1c(NC(=O)C2C3C2CCC3)ccc(N)c1	PC-id_81623000	295.175	ZCQKWNLGVQECCG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111394
Brc1c(NC(=O)C2C3C2CCC3)cc(N)cc1	PC-id_81622717	295.175	ULDQXGHCRMERNI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111395
Brc1c(NC(=O)C2C3C2CCCC3)ccnc1	PC-id_81758231	295.175	TVOCQYSTAVYKMC-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-111396
Brc1c(NC(=O)C2C3C2CCCC3)nccc1	PC-id_79881510	295.175	WPZSAFPTMVJQGS-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-111397
Brc1c(NC(=O)C2CC3C(C3)C2)ccc(N)c1	PC-id_80466097	295.175	ZNEFPEYKNOFEPT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111398
Brc1c(NC(=O)C2CC3C(C3)C2)cc(N)cc1	PC-id_81525408	295.175	HWUILSUSBORNTP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111399
Brc1nc(NC(=O)C2C3C2CCCC3)ccc1	PC-id_79165302	295.175	IYGFBQJTKAJFBX-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-111400
Cc1cc(Br)cc(c1)C(=O)NC1C2C1CNC2	PC-id_115999558	295.175	YUGOYUPAYGMFLZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111401
NCC1C2C1CN(C2=O)Cc1cccc(c1)Br	PC-id_115009612	295.175	JYJMYHQWSFSWAP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111402
NCC1C2C1CN(C2=O)Cc1ccccc1Br	PC-id_115009642	295.175	DDWPAYYLBKBAEI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111403
NCC1C2C1CN(C2=O)Cc1ccc(cc1)Br	PC-id_115009670	295.175	JLSOUDHWYXZKMG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111404
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CC[C@H]1C[C@@]1(C(=O)OC)NC(=O)OC2(C3C2CCCC3)C	PC-id_147575789	295.178	FVLGHLRQYPEXGO-VEPDAPSHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-111415
CC(=O)[C@@H]1C2[C@@H]([C@]2(C)COC(=O)C(C)(C)C)CN1C(=O)C	PC-id_163551550	295.178	FJMBFIJOROCBHX-OWYBYSJYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-111416
P(=O)(OCC)(O)NC1(C2C(OC1)(C2)C(=O)O)C(=O)O	PC-id_9860930	295.183	UNLHWBPYLSSQSF-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-111417
CC1(C2C1(C(NC2)C(=O)N)[C@H](C[C@H]3CCNC3=O)CO)C	PC-id_164850293	295.19	NPDXDNXANVTWNF-DDMJHGPLSA-N	00100010000000000000010000000000000000000000000000000000	22-01-111418
CC(=O)OC(C(=O)O)CC1=C([N+](=O)[O-])C(=O)C2=C(C1=O)C2	PC-id_141212021	295.202	JMEOLSUCHIOPNC-UHFFFAOYSA-N	00110000000011000000010000000000000000000000000000000000	22-01-111419
OCC1N(CC2C1C2(C)C)C(=O)C(N[B]OC)C(C)(C)C	PC-id_77826671	295.205	YAYYJUOHUAJWNW-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-111420
OC[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@@H](N[B]OC)C(C)(C)C	PC-id_70332975	295.205	YAYYJUOHUAJWNW-WHOHXGKFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-111421
BrC1C2OC2(CCC1)CCCc1ccccc1	PC-id_85736411	295.215	BGEALIMWKFUUKR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111422
Brc1ccc(CC(O)C2C3C2CCCC3)cc1	PC-id_81638383	295.215	MSZQVBKQCCXIQE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111423
Brc1c(cc(C(O)C2C3C2CCC3)c(c1)C)C	PC-id_81643483	295.215	CQYNVNMFSHOYSD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111424
Brc1cc(CC(O)C2C3C2CCCC3)ccc1	PC-id_81637874	295.215	CEBCZRAOROPAAU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111425
Brc1c(cc(C(O)C2CC3C(C3)C2)c(c1)C)C	PC-id_80470829	295.215	ZVKHEVBNIPPCIO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111426
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BrC(C1C2C1CCC2)c1c(OC)ccc(c1)C	PC-id_81636512	295.215	ILFWPQQHEZYSKU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111430
BrC(C1C2C1CCC2)Cc1ccc(OC)cc1	PC-id_81636078	295.215	FSGVQWAHDHJNBS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111431
BrC(C1C2C1CCC2)Cc1cc(OC)ccc1	PC-id_81637371	295.215	ZKSIYIKQKWGPOO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111432
BrC(C1C2C1CCC2)Cc1c(OC)cccc1	PC-id_81637714	295.215	ALRKBJZCVFJTKQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111433
BrC(C1C2C1CCCC2)c1ccc(OC)cc1	PC-id_81637644	295.215	GGLHQABDJFAGRQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111434
BrC(C1CC2C(C2)C1)c1cc(c(OC)cc1)C	PC-id_80469618	295.215	AAJWIVNSMIRIRD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111435
BrC(C1CC2C(C2)C1)c1c(cc(OC)cc1)C	PC-id_80470808	295.215	NNSKULIFTLOOPP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111436
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BrC(C1CC2C(C2)C1)c1c(OC)ccc(c1)C	PC-id_80469326	295.215	AFMNRTNXALNJPM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111438
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BrC(C1CC2C(C2)C1)Cc1c(OC)cccc1	PC-id_80472251	295.215	CFIRFHJUBVCPQT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111442
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BrCC1(CC2C(C2)C1)CCOc1ccccc1	PC-id_80473260	295.215	DQZSUXMGKKVECA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111444
BrCC1(COCc2ccccc2)CC2CC2C1	PC-id_102941006,EMOLS-id_207581819,MCULE-3381046189	295.215	JGLCFZQEWGOHAA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111445
CC(C)C(CC(=O)OC)C(=O)N1CC2CC2C1C(C)(C)C	PC-id_147124972	295.215	BPCGVJKTEQDVNG-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-111446
CC(C)CC(=O)C1C2C(C2(C)C)CN1C(=O)OC(C)(C)C	PC-id_164950680	295.215	HKWRHPJHESCDIW-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-111447
FC(F)(F)CC(=O)NNC(=O)C1C2C1CN(C2)C(=O)O	PC-id_77441354	295.215	COZBJJPSWPRWHT-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-111448
FC(F)(F)CC(=O)NNC(=O)C1[C@H]2[C@@H]1CN(C2)C(=O)O	SCHEMBL9933948,PC-id_67972334	295.215	COZBJJPSWPRWHT-VAPWPJCZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-111449
OC(C1C2C1CCCC2)Cc1ccccc1Br	PC-id_113657934	295.215	WVPYOZUVUJECBQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111450
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NC(C1C2C1CCCC2)Cc1ccc(cn1)Br	PC-id_105036516	295.218	KANQDJVHDKPCGM-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-111458
NC(C1C2C1CCCC2)Cc1cncc(c1)Br	PC-id_105037019	295.218	KPIBCZBUHLLOGL-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-111459
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NNC(C1C2C1CCC2)Cc1cccc(c1)Br	PC-id_105284598	295.218	IMGBQBYMKVOLEP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111463
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NNC(C1CC2C(C1)C2)Cc1cccc(c1)Br	PC-id_105284539	295.218	IRJWKGSNOGQQCG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111466
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Clc1c(CC2(CC3C(C3)C2)C(=O)O)ccc([N+](=O)[O-])c1	PC-id_80468105	295.718	YFAAHYDYROXTJC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111944
Clc1c(CC2(CC3C(C3)C2)C(=O)O)c([N+](=O)[O-])ccc1	PC-id_80468107	295.718	GFVSBDRNEKFSIM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111945
Clc1cc(CC2(CC3C(C3)C2)C(=O)O)c([N+](=O)[O-])cc1	PC-id_80468100	295.718	CBXJRYKNUIQPRG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111946
Clc1cc([N+](=O)[O-])c(CC2(CC3C(C3)C2)C(=O)O)cc1	PC-id_80468058	295.718	FFJSMBDERIEKKG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111947
O=C(O)[C@]12CN(Cc3ccccc3Cl)C[C@@]1(C(=O)O)C2	MCULE-8046338286,PC-id_135102935,ZINC22_1704316105,EMOLS-id_317343104	295.718	VQHMDKFGBBMQKZ-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111948
O=C(C1C2C1CCCC2)Nc1nc(Cl)ccc1[N+](=O)[O-]	PC-id_104820442	295.722	PRWUDQMAXDJFRT-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-111949
O=C(C1CC2C(C1)C2C(=O)O)NCc1nccnc1Cl	PC-id_121457331,SCHEMBL17895102	295.722	VTSGAXJTNFWWBQ-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-111950
C1(CO)(CO)C2C1CN(C(=O)Cc1ccc(cc1)Cl)C2	PC-id_137345706,MCULE-8157467346,EMOLS-id_317463168	295.761	FGBPPVRPRKGHJS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111951
Clc1ccc(OCCN2CC3(C(C3)CC2)C(=O)O)cc1	PC-id_82363435	295.761	XZYWKNUUSJYCPF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111952
Clc1cc(NC(=O)C2CC3C(C3)C2)c(OC)cc1OC	PC-id_80472593	295.761	MOSMZEHPUJDESM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111953
Clc1c(NC(=O)C2CC3C(C3)C2)cc(OC)c(OC)c1	PC-id_80471444	295.761	ONFKJYSQJKVGRV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111954
Clc1c(OC)cc(NC(=O)C2CC3C(C3)C2)c(OC)c1	PC-id_80472521	295.761	BLWRGYUSJIKKRE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111955
ClCC(=O)N(C1CC2OC2CC1O)Cc1ccccc1	PC-id_73408003	295.761	GIQCWHPUEGCHGD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111956
ClCC(=O)N([C@@H]1C[C@@H]2O[C@@H]2C[C@H]1O)Cc1ccccc1	PC-id_17752518	295.761	GIQCWHPUEGCHGD-YIYPIFLZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111957
COc1cc(Cl)cc(c1)C(=O)N1CCC[C@H]2[C@]1(CO)C2	EMOLS-id_319159996	295.761	QJJFWXJLACQMMR-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111958
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1Cl)OC	EMOLS-id_319384947	295.761	LOGIVKKRRXXALC-MEBBXXQBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111959
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1)OC)Cl	EMOLS-id_319600552	295.761	FGCYNTZHTBQRPE-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111960
OC[C@]12C[C@H]1CCCN2C(=O)C(c1ccc(cc1)Cl)O	EMOLS-id_319412766	295.761	AGLOCAOVMZQFOQ-IMORHIPNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111961
OC[C@]12C[C@H]1CCCN2C(=O)COc1ccccc1Cl	EMOLS-id_319762493	295.761	BZLDZDKHTUTRPG-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111962
OC[C@]12C[C@H]1CCCN2C(=O)COc1cccc(c1)Cl	EMOLS-id_319790081	295.761	OQRHBPPEQBNOEE-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111963
O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@@H](C1)C2(CO)CO	ZINC22_1772703282	295.761	FGBPPVRPRKGHJS-BETUJISGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111964
O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2[C@@H](C1)C2(CO)CO	ZINC22_1772703291	295.761	FGBPPVRPRKGHJS-CHWSQXEVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-111965
O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C1)C2(CO)CO	ZINC22_1772703294	295.761	FGBPPVRPRKGHJS-STQMWFEESA-N	00100010000000110000010000000000000000000000000000000000	22-01-111966
CCc1ncc(c(n1)C(=O)NC12CC1COC2(C)C)Cl	EMOLS-id_318892278	295.765	IIFGBYHFMWPARY-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-111967
CC(C)(C)OC(=O)N1CC2CC2(CS(=O)(=O)Cl)C1	MCULE-2577659628,EMOLS-id_277255188	295.783	GBSSEOZBTFVFJY-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-111968
Clc1cc(C(C(O)C2C3C2CCC3)CN)c(OC)cc1	PC-id_81633627	295.804	GHMGAMAAGNIOCM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111969
Clc1cc(C(C(O)C2CC3C(C3)C2)CN)c(OC)cc1	PC-id_80473007	295.804	IRVLFBWTQNLOHR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111970
Clc1c(C(N)C2C3C2CCCC3)cc(OC)c(OC)c1	PC-id_81624120	295.804	BTDWPAWBRWKEEY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111971
Clc1c(C(NC)C2C3C2CCC3)cc(OC)c(OC)c1	PC-id_81624331	295.804	WBNPHOYFTGRTBS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111972
Clc1c(C(NC)C2CC3C(C3)C2)cc(OC)c(OC)c1	PC-id_80468753	295.804	YVYILNZUGJOOHU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111973
CNC(c1ccc(c(c1OC)Cl)OC)C1C2C1CCC2	PC-id_116464806	295.804	HDOTXZSPLUXJOV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111974
CNC(c1ccc(c(c1OC)Cl)OC)C1CC2C(C1)C2	PC-id_116464392	295.804	OIRKJXFJNUNOPM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111975
COc1c(ccc(c1Cl)OC)C(C1C2C1CCCC2)N	PC-id_116464312	295.804	YNZCVYHXHKTSMZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-111976
CN(CCn1ncc(c1C(=O)C1C2C1CCCC2)Cl)C	PC-id_115802651	295.808	HPDVQJDHOCTXAN-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-111977
CCCNC(C1C2C1CCC2)Cc1ccc(c(c1)Cl)F	PC-id_103043361	295.823	KUNZIKZSMIMLMB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111978
CCCNC(C1C2C1CCC2)Cc1cccc(c1Cl)F	PC-id_105032382	295.823	XOGMNHJFFAKJBT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111979
CCCNC(C1C2C1CCC2)Cc1ccc(cc1Cl)F	PC-id_115840409	295.823	UUZOXKMZUDSXAH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111980
CCCNC(C1C2C1CCC2)Cc1cccc(c1F)Cl	PC-id_102867074	295.823	PUOQRBBPNMPPDS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111981
CCCNC(C1C2C1CCC2)Cc1ccc(cc1F)Cl	PC-id_105055280	295.823	GOANYMQOTHWHGB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111982
CCCNC(C1C2C1CCC2)Cc1ccc(c(c1)F)Cl	PC-id_107892564	295.823	OVLGILDIXRKUOT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111983
CCCNC(C1C2C1CCC2)Cc1cc(Cl)ccc1F	PC-id_103053176	295.823	AWFTUCFIDJKSBU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111984
CCCNC(C1C2C1CCC2)Cc1cc(F)ccc1Cl	PC-id_102622860	295.823	QDNWXTZEPAFXRT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111985
CCCNCC1(CC2C(C1)C2)Cc1ccc(c(c1)Cl)F	PC-id_103041160	295.823	PAXPBAJWVSWWFB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111986
CCCNC(C1CC2C(C1)C2)Cc1ccc(c(c1)Cl)F	PC-id_103043073	295.823	QYAIVDWPUYWJCF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111987
CCCNC(C1CC2C(C1)C2)Cc1cccc(c1Cl)F	PC-id_105032323	295.823	DELHYJPXULFXMR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111988
CCCNC(C1CC2C(C1)C2)Cc1ccc(cc1Cl)F	PC-id_115840371	295.823	WRBQLYNWKBMVGS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111989
CCCNCC1(CC2C(C1)C2)Cc1cccc(c1Cl)F	PC-id_115984265	295.823	PHEGFDZXGBXWIB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111990
CCCNCC1(CC2C(C1)C2)Cc1cccc(c1F)Cl	PC-id_102859184	295.823	MZACBANCARXSKG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111991
CCCNC(C1CC2C(C1)C2)Cc1cccc(c1F)Cl	PC-id_102866719	295.823	CDBSYQANVDUVCM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111992
CCCNC(C1CC2C(C1)C2)Cc1ccc(cc1F)Cl	PC-id_105055225	295.823	YSDKWMVBEZEIBU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111993
CCCNC(C1CC2C(C1)C2)Cc1ccc(c(c1)F)Cl	PC-id_107891997	295.823	YBAAVBMLKSACPC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111994
CCCNCC1(CC2C(C1)C2)Cc1ccc(c(c1)F)Cl	PC-id_107897551	295.823	CPRFNOQBTMJOLB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111995
CCCNCC1(CC2C(C1)C2)Cc1ccc(cc1F)Cl	PC-id_114858898	295.823	QHOQWYBAPIGQHL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111996
CCCNCC1(CC2C(C1)C2)Cc1cc(Cl)ccc1F	PC-id_103049803	295.823	LJTXPMIOXXKLMZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111997
CCCNC(C1CC2C(C1)C2)Cc1cc(Cl)ccc1F	PC-id_103053023	295.823	UQUIEOCIQNSGKP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111998
CCCNCC1(CC2C(C1)C2)Cc1cc(F)ccc1Cl	PC-id_102619982	295.823	OVZWSLSEBLCAFT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-111999
CCCNC(C1CC2C(C1)C2)Cc1cc(F)ccc1Cl	PC-id_102622912	295.823	ICECHJIPGCLLBC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112000
CCCNC(c1ccc(cc1F)Cl)C1C2C1CCCC2	PC-id_105022508	295.823	CVQXUYKZCPCFOQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112001
CCCNC(c1cc(F)ccc1Cl)C1C2C1CCCC2	PC-id_105397163	295.823	OPCVYJXGHKFLIG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112002
CCNC(C1C2C1CCCC2)Cc1ccc(c(c1)Cl)F	PC-id_103042910	295.823	GIGLSTNIDQEMIE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112003
CCNC(C1C2C1CCCC2)Cc1cccc(c1Cl)F	PC-id_105032307	295.823	YOFDAIIHULHXHU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112004
CCNC(C1C2C1CCCC2)Cc1ccc(cc1Cl)F	PC-id_115840357	295.823	KWQVZNWSVCGWCE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112005
CCNC(C1C2C1CCCC2)Cc1cccc(c1F)Cl	PC-id_102866698	295.823	VFUNQFOHYZJZQY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112006
CCNC(C1C2C1CCCC2)Cc1ccc(cc1F)Cl	PC-id_105055209	295.823	KSNDOABHGUHTEQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112007
CCNC(C1C2C1CCCC2)Cc1ccc(c(c1)F)Cl	PC-id_107891837	295.823	WYSBXUZNDAIYJT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112008
CCNC(C1C2C1CCCC2)Cc1cc(Cl)ccc1F	PC-id_103052965	295.823	MWPJHAJOPDGSCF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112009
CCNC(C1C2C1CCCC2)Cc1cc(F)ccc1Cl	PC-id_102622902	295.823	FGVHXDTUEUPRTE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112010
CC(NCC1(CC2C(C1)C2)Cc1ccc(c(c1)Cl)F)C	PC-id_103041161	295.823	XMRYLXNZRJYKGI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112011
CC(NCC1(CC2C(C1)C2)Cc1cccc(c1Cl)F)C	PC-id_115984266	295.823	NNXDSEURPFIGJL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112012
CC(NCC1(CC2C(C1)C2)Cc1cccc(c1F)Cl)C	PC-id_102859187	295.823	NDHBRCORPKTCQH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112013
CC(NCC1(CC2C(C1)C2)Cc1ccc(c(c1)F)Cl)C	PC-id_107897553	295.823	PAUKYMQFCVJEJG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112014
CC(NCC1(CC2C(C1)C2)Cc1ccc(cc1F)Cl)C	PC-id_114858900	295.823	FFRMAZIRNFWYGF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112015
CC(NCC1(CC2C(C1)C2)Cc1cc(Cl)ccc1F)C	PC-id_103049804	295.823	XHKHNYZWZUSEOS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112016
CC(NCC1(CC2C(C1)C2)Cc1cc(F)ccc1Cl)C	PC-id_102619983	295.823	HEVISUCZQIRNCM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112017
Clc1c(CC2(CC3C(C3)C2)CNCCC)ccc(F)c1	PC-id_80469733	295.823	WRXHSTZINFMUCW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112018
Clc1c(CC2(CC3C(C3)C2)CNC(C)C)ccc(F)c1	PC-id_80470905	295.823	SIAOABXSXBWUNR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112019
Clc1c(CC2(CC3C(C3)C2)CNCCC)c(F)ccc1	PC-id_80469793	295.823	CGLRYISCWOJRPO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112020
Clc1c(CC2(CC3C(C3)C2)CNC(C)C)c(F)ccc1	PC-id_80470942	295.823	QSJYCGBEXIMLTR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112021
Clc1c(CC(NCC)C2C3C2CCCC3)c(F)ccc1	PC-id_81630666	295.823	XWCBSWYHKHLQFC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112022
Clc1c(CC(NCCC)C2C3C2CCC3)c(F)ccc1	PC-id_81630810	295.823	LJMDQTRIEWVMDU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112023
Clc1c(CC(NCCC)C2CC3C(C3)C2)c(F)ccc1	PC-id_80467671	295.823	YGVFHIZOFAIEAS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112024
Clc1c(C(NCC)C2C3C2CCCC3)cc(c(F)c1)C	PC-id_81631756	295.823	GNMYREQMLQMOAT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112025
Clc1c(C(NCCC)C2C3C2CCC3)cc(c(F)c1)C	PC-id_81631862	295.823	VSERZVJRNMKTQN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112026
Clc1c(C(NCCC)C2CC3C(C3)C2)cc(c(F)c1)C	PC-id_81046000	295.823	WSBNNTWXVSGKNM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112027
Clc1sc(CN(C(=O)C2CC3C(C3)C2)CC=C)cc1	PC-id_80471661	295.828	LAJUCCXVYSSEQG-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-112028
CCCn1ncc(c1C(C1C2C1CCCC2)NCC)Cl	PC-id_105042438	295.851	MFPNDNPFWWGEJY-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112029
CCCNC(C1C2C1CCC2)Cc1c(C)nn(c1Cl)C	PC-id_105034891	295.851	GKKQYXPJDSABPH-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112030
CCCNC(C1C2C1CCC2)Cc1n(C)nc(c1Cl)C	PC-id_104996574	295.851	XEAOLUGDRAMNNT-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112031
CCCNC(C1CC2C(C1)C2)Cc1c(C)nn(c1Cl)C	PC-id_105034837	295.851	ZFGGKDIVPIWQBE-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112032
CCCNCC1(CC2C(C1)C2)Cc1c(C)nn(c1Cl)C	PC-id_116071015	295.851	AIUVGGBTSXJELV-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112033
CCCNC(C1CC2C(C1)C2)Cc1n(C)nc(c1Cl)C	PC-id_104996519	295.851	RLBVCTBSPAHQAV-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112034
CCCNC(c1c(Cl)cnn1CC)C1C2C1CCCC2	PC-id_105040547	295.851	LKABXKCVPIUSJV-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112035
CCCNC(c1c(Cl)cnn1C(C)C)C1C2C1CCC2	PC-id_105041660	295.851	FIMYUNOQKOOJED-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112036
CCCNC(c1c(Cl)cnn1CCC)C1C2C1CCC2	PC-id_105042508	295.851	RZNQESINCXJABE-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112037
CCCNC(c1c(Cl)cnn1C(C)C)C1CC2C(C1)C2	PC-id_105041609	295.851	DNZDEAGLYUMCBM-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112038
CCCNC(c1c(Cl)cnn1CCC)C1CC2C(C1)C2	PC-id_105042452	295.851	ODUYJHSUOLWQIJ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112039
CCn1nc(c(c1CC(C1C2C1CCC2)NC)Cl)CC	PC-id_105001318	295.851	DBNRRFLOEJZBKF-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112040
CCn1nc(c(c1CC(C1C2C1CCCC2)N)Cl)CC	PC-id_105001490	295.851	OKPYQAUDVVZVNZ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112041
CCn1nc(c(c1CC(C1CC2C(C1)C2)NC)Cl)CC	PC-id_105001321	295.851	MRDNYKXSLLJHMZ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112042
CCNC(C1C2C1CCC2)Cc1n(CC)nc(c1Cl)C	PC-id_104998836	295.851	UOOZEBUBSLEZGX-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112043
CCNC(C1C2C1CCC2)Cc1n(C)nc(c1Cl)CC	PC-id_104998534	295.851	DNVXOCHHTZJGFI-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112044
CCNC(C1C2C1CCCC2)Cc1c(C)nn(c1Cl)C	PC-id_105034823	295.851	PEWIJIKPVZNBEZ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112045
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Cc1ccc(n2cnnc2)c(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c1	ZINC22_333119515	296.367	GZAXQLQCBPYOGL-OKILXGFUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-112446
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Cc1nn(c(c1)C)c1ccc(cn1)C(=O)NC1CCC2C1C2	EMOLS-id_318756267	296.367	CPSPBOOTGTXEJB-UHFFFAOYSA-N	00100010100010101001110000000000000000000000000000000000	22-01-112450
Cc1nn(c(c1)C)c1ccc(cn1)NC(=O)[C@@]12CCC[C@@H]1C2	EMOLS-id_318697704	296.367	XSVMYSHHOWQCGQ-CXAGYDPISA-N	00100010100010101001110000000000000000000000000000000000	22-01-112451
CC[C@]12C[C@@H]1CN(C(=O)c1cnn(c3ccccn3)c1C)C2	ZINC22_1772814228	296.367	OYCIJVCRJCZWHY-CXAGYDPISA-N	00100010100000101001110000000000000000000000000000000000	22-01-112452
CC[C@@]12C[C@@H]1CN(C(=O)c1cnn(c3ccccn3)c1C)C2	ZINC22_1772814229	296.367	OYCIJVCRJCZWHY-DYVFJYSZSA-N	00100010100000101001110000000000000000000000000000000000	22-01-112453
CC[C@@]12C[C@H]1CN(C(=O)c1cnn(c3ccccn3)c1C)C2	ZINC22_1772814230	296.367	OYCIJVCRJCZWHY-GUYCJALGSA-N	00100010100000101001110000000000000000000000000000000000	22-01-112454
CC[C@]12C[C@H]1CN(C(=O)c1cnn(c3ccccn3)c1C)C2	ZINC22_1772814231	296.367	OYCIJVCRJCZWHY-SUMWQHHRSA-N	00100010100000101001110000000000000000000000000000000000	22-01-112455
CCc1[nH]nc(n1)c1ccc(cc1)C(=O)N1CCCC2C1C2	EMOLS-id_318478172	296.367	GAYZVNJRRIDIKW-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-112456
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Cn1cc(c(n1)c1ccncc1)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318492065	296.367	FMDYDABDFLQPBS-NEJHNUGDSA-N	00100000100010101001110000000000000000000000000000000000	22-01-112468
Cn1cnc(n1)c1ccc(cc1)C(=O)NC1CCCC2C1C2	EMOLS-id_318375673	296.367	OFBFIARQGQJELI-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-112469
Cn1cnc(n1)c1ccc(cc1)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318375417	296.367	OFBFIARQGQJELI-GNXJLENFSA-N	00100000100010110001110000000000000000000000000000000000	22-01-112470
Cn1ncc(c1)c1ccc(nc1C)NC(=O)[C@@]12CCC[C@@H]1C2	EMOLS-id_318608204	296.367	SVJXBSBQGBCDLE-CXAGYDPISA-N	00100010100010101001110000000000000000000000000000000000	22-01-112471
Cn1ncc(c1)c1cncc(c1)C(=O)NC1CCCC2C1C2	EMOLS-id_318398714	296.367	NYFZUZKFADUGPU-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-112472
Cn1ncc(c1)c1cncc(c1)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318700792	296.367	NYFZUZKFADUGPU-LKCRCUOOSA-N	00100000100010101001110000000000000000000000000000000000	22-01-112473
Cn1ncc(c1)c1ncccc1C(=O)NC1CCCC2C1C2	EMOLS-id_318698266	296.367	KRFSCXNKXSJVOD-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-112474
Cn1ncc(c1)c1ncccc1C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318717999	296.367	KRFSCXNKXSJVOD-IFVPNFOKSA-N	00100000100010101001110000000000000000000000000000000000	22-01-112475
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O=C(C1C2C1CCC2)Nc1ccc(c(n1)C)c1cnn(c1)C	EMOLS-id_318822427	296.367	STEIIBPQVRMWTF-UHFFFAOYSA-N	00100010100010101001110000000000000000000000000000000000	22-01-112480
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O=C(C1C2C1CCC2)NCc1nnc(n1C)c1ccccc1	EMOLS-id_318915689	296.367	DMPNWPTXSNZOBH-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-112482
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COc1c(ccc(c1Cl)OC)C(C1C2C1CCCC2)O	PC-id_116465146	296.789	WRYCGNCQTHTWQQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112797
Clc1c(n(nc1CC)CC)CC1(CC2C(C2)C1)C(=O)O	PC-id_80467858	296.792	WPDWGCYSEIMKNC-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112798
Clc1c(Cl)c(Cl)c2c(c1Cl)C2(Cl)Cl	PC-id_141398202	296.793	GGOLBVPVPOMLNM-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-112799
ClC(C1C2C1CCC2)c1ccc(cc1)Cc1ccccc1	PC-id_81637819	296.834	VMSZQEOQFKQXHY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112800
ClC(C1C2C1CCCC2)c1ccc(cc1)c1ccccc1	PC-id_81638264	296.834	SKGYMMGALHDRHO-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-112801
ClC(C1CC2C(C2)C1)c1ccc(cc1)Cc1ccccc1	PC-id_80468843	296.834	SDCKJYAEDCZQSC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112802
CCn1nc(c(c1CC(C1C2C1CCCC2)O)Cl)CC	PC-id_115815429	296.836	SMFRXDWVWDIZRQ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112803
CCc1nn(c(c1Cl)CC(C1C2C1CCCC2)NN)C	PC-id_105316863	296.839	HKMJOLUJORJSBV-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112804
CCn1nc(c(c1CC(C1C2C1CCC2)NN)Cl)CC	PC-id_105318264	296.839	LHJXTANGTGDPRI-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112805
CCn1nc(c(c1CC(C1CC2C(C1)C2)NN)Cl)CC	PC-id_105318236	296.839	YMMCTVOTGLAUQN-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112806
CNC(c1c(Cl)cnn1CCN(C)C)C1C2C1CCC2	PC-id_105038986	296.839	NCQPEICEFJETHX-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112807
CNC(c1c(Cl)cnn1CCN(C)C)C1CC2C(C1)C2	PC-id_105038989	296.839	KUBIYJDDEKRRBB-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112808
NC(c1c(Cl)cnn1CCN(C)C)C1C2C1CCCC2	PC-id_105039154	296.839	NWHLWTHDRYIAHM-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112809
NNC(C1C2C1CCCC2)Cc1n(CC)nc(c1Cl)C	PC-id_105316996	296.839	VSONVGQDZGDAPW-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112810
BrC1(Br)[C@H]2[C@@H]1CN([C@@H]2C=O)C=O	PC-id_59792074,SCHEMBL12606405	296.944	FSIOSHLJDNVJPN-JKUQZMGJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-112812
BrC1(Br)C2C1(NC(=O)CC2C)C	PC-id_73098576	296.987	JSRUZVLZANOTTO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-112813
BrC1(Br)[C@@H]2[C@]1(NC(=O)C[C@@H]2C)C	PC-id_11109250	296.987	JSRUZVLZANOTTO-JSKYLQRQSA-N	00100000000010000000010000000000000000000000000000000000	22-01-112814
BrC1(Br)[C@H]2[C@@]1(NC(=O)C[C@@H]2C)C	PC-id_11781454	296.987	JSRUZVLZANOTTO-JHYUDYDFSA-N	00100000000010000000010000000000000000000000000000000000	22-01-112815
O=C1CCCC2C(N1C)C2(Br)Br	PC-id_145225156	296.987	CTQPPGPTWGPURI-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-112816
C1CCC2(CC2C1)COC3=C(C=C(C(=C3)F)C(=O)[O-])Cl	PC-id_154302310	297.07	YOWBHRNLOYACSK-UHFFFAOYSA-M	00100000000010110000010000000000000000000000000000000000	22-01-112817
CCOC(=O)[C@@H]1[C@@H]2[C@H]1[C@H](C[C@H]2C(=O)O)SC3=NC=NN3	PC-id_152948795	297.078	UOGZHXJOUUECIB-QMGXLNLGSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112818
CC(C)(C)OC(=O)NC1(CC(=O)C2C1C2C(=O)[O-])C(=O)[O-]	PC-id_154073140	297.086	DENFAQSAXLELGQ-UHFFFAOYSA-L	00100010000000000000010000000000000000000000000000000000	22-01-112819
CC(C)(C)OC(=O)N[C@]1(CC(=O)[C@@H]2[C@H]1[C@H]2C(=O)[O-])C(=O)[O-]	PC-id_152750918	297.086	DENFAQSAXLELGQ-NDPIOBCDSA-L	00100010000000000000010000000000000000000000000000000000	22-01-112820
CCN1CC2C(C1)C2C[N-]CC3=CC(=CC(=C3)Cl)Cl	PC-id_154495120	297.093	KGCSTHSPMVVPDM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112821
CCN1CC2C(C1)C2C[N-]CC3=C(C=C(C=C3)Cl)Cl	PC-id_160304647	297.093	PTLZEKVIICXTMY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112822
CCN1CC2C(C1)C2C[N-]CC3=CC(=C(C=C3)Cl)Cl	PC-id_162169941	297.093	ZNQQRSPVQCHQDW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112823
C1[C@@H]2[C@H]1[C@H](N(C2)C(=O)C3=CC=CC=C3C4=CC=CS4)C[NH-]	PC-id_162234609	297.107	ZVWWZKDTSSYLFX-TUKIKUTGSA-N	00100010100100110000110000000000000000000000000000000000	22-01-112824
C1CC2CC2N(C1)S(=O)(=O)C3=CC=CC(=N3)NCCO	PC-id_154772386,MCULE-5947963746,EMOLS-id_317363220	297.115	WXLCUQPUSFKWLE-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-112825
CC(C)(C)OC(=O)NC12C(CC(=C)C1C2C(=O)O)C(=O)O	PC-id_154449021	297.121	QAIKYFKGLQOOOE-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-112826
CCOC(=O)N[C@@H](C1=C2C=C2C=C1)C3=CC=CC=C3CCO	PC-id_148005709	297.136	IXVBBQUFWVISAB-QGZVFWFLSA-N	00110010100000110000010000000000000000000000000000000000	22-01-112827
BrC12C(C1)C(OC2)C(=O)OCc1ccccc1	PC-id_74932068	297.145	YYFWOBKOTDGCLD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112828
Br[C@]12[C@H](C1)[C@H](OC2)C(=O)OCc1ccccc1	PC-id_44138584	297.145	YYFWOBKOTDGCLD-NTZNESFSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112829
Br[C@]12[C@H](C1)[C@@H](OC2)C(=O)OCc1ccccc1	PC-id_44139737	297.145	YYFWOBKOTDGCLD-NQBHXWOUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112830
Brc1cc(ccc1NC1CCC2C1C2)[N+](=O)[O-]	PC-id_114253231	297.148	UIUQSJALSIDNRY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112831
Brc1cc(ccc1NC1CC[C@@H]2[C@H]1C2)[N+](=O)[O-]	PC-id_112740063	297.148	UIUQSJALSIDNRY-GZALTDKGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112832
Brc1ccc(c(c1)N)C(=O)N[C@@]12COC[C@@H]1C2	EMOLS-id_318858705	297.148	AQBHEAVWPJKMIX-MADCSZMMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112833
Brc1cc(O)c(C(=O)NC2C3C2CNC3)cc1	PC-id_61781847	297.148	LVFROGNJGPAQCF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112834
CC1=CC(=NO1)C(=O)NC2[C@H]3[C@@H]2CN(C3)CC4=CC=CC=C4	PC-id_154780076	297.148	JETSDBPIWRLLKC-MZBDJJRSSA-N	00100010100000110001010000000000000000000000000000000000	22-01-112835
O=C(C1C2C1CCC2)Nc1nccc(c1O)Br	EMOLS-id_278999818	297.148	FXWJJXLPXYEJKH-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-112836
O=C(c1cc(Br)ccc1O)NC1C2C1CNC2	PC-id_107729916	297.148	NXJXOLYGGVRWDH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112837
O=C(c1ccc(c(c1)O)Br)NC1C2C1CNC2	PC-id_105720196	297.148	XOTWFBJTEHGXKX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112838
O=C(c1c[nH]c(=O)c(c1)Br)NC1CC2C(C1)C2	EMOLS-id_102237642	297.148	YNXSFKCGSVFNQC-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-112839
O=C([C@@H]1C[C@H]2[C@@H](C1)C2)Nc1nccc(c1O)Br	EMOLS-id_278999603	297.148	INAZFGKJKNWDRL-JIGDXULJSA-N	00100010000010101000010000000000000000000000000000000000	22-01-112840
O=C([C@@H]1[C@@H]2[C@H]1COC2)Nc1cc(C)cnc1Br	EMOLS-id_319816815	297.148	QPUNFSSMFFTDNT-MBTKJCJQSA-N	00100010000000101000010000000000000000000000000000000000	22-01-112841
O=C(C1CC2C(N1)C2)Nc1cnc(c(n1)Br)C	PC-id_140776775	297.151	VJYUUJOMLGWBFZ-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-112842
O=C([C@@H]1C[C@@H]2[C@H](N1)C2)Nc1cnc(c(n1)Br)C	SCHEMBL18591306	297.151	VJYUUJOMLGWBFZ-PRJMDXOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-112843
CC(C)(C)OC(=O)NC1([C@H]2C1CCC(=O)CC2)C(=O)OC	PC-id_163870002	297.158	PJZAXHRKJIXMJX-RWWNRMGGSA-N	00100000000000000100010000000000000000000000000000000000	22-01-112844
C1[C@@H]2[C@@H](C2N)CN1CC3=CC=C(C=C3)N4C=CC(=NC4=O)N	PC-id_155006412	297.159	XBVQUGWCXXSLNQ-NNQSOWQGSA-N	00100010000000110001110000000000000000000000000000000000	22-01-112845
Brc1cc(C(=O)C2C3C2CCCC3)ccc1F	PC-id_81624105	297.163	NZYRGRIMKNFZKG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112846
Fc1cc(cc(c1)Br)CC(=O)C1C2C1CCC2	PC-id_115786828	297.163	BGPQFKPJDKQGIO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112847
Fc1cc(cc(c1)Br)CC(=O)C1CC2C(C1)C2	PC-id_115786659	297.163	GKOHGBVOIQRIQD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112848
O=C(C1C2C1CCC2)Cc1cc(Br)ccc1F	PC-id_114967131	297.163	UFXZOKXQGLXYEP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112849
O=C(C1C2C1CCC2)Cc1ccc(c(c1)Br)F	PC-id_114964841	297.163	LIXLVBGWDKXQBK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112850
O=C(C1C2C1CCC2)Cc1ccc(cc1Br)F	PC-id_114968052	297.163	UMISYZOBQJDTER-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112851
O=C(C1C2C1CCC2)Cc1cccc(c1Br)F	PC-id_115790160	297.163	JUNGMQNEGQYNCS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112852
O=C(C1C2C1CCC2)Cc1ccc(cc1F)Br	PC-id_114968555	297.163	DUSYPTAFZLDGGC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112853
O=C(C1C2C1CCC2)Cc1cc(F)ccc1Br	PC-id_114968226	297.163	XOHJPKALCUWEPM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112854
O=C(C1CC2C(C1)C2)Cc1cc(Br)ccc1F	PC-id_114967058	297.163	SSXRXDDJHIKFCY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112855
O=C(C1CC2C(C1)C2)Cc1ccc(c(c1)Br)F	PC-id_114964779	297.163	XPFJYCLGKVUSKX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112856
O=C(C1CC2C(C1)C2)Cc1ccc(cc1Br)F	PC-id_114967978	297.163	GAVGRTAXCMUDGQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112857
O=C(C1CC2C(C1)C2)Cc1cccc(c1Br)F	PC-id_115790029	297.163	HRXUBKUIIGJFHK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112858
O=C(C1CC2C(C1)C2)Cc1ccc(cc1F)Br	PC-id_114968476	297.163	IZHLVRQGRUGNAV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112859
O=C(C1CC2C(C1)C2)Cc1cc(F)ccc1Br	PC-id_114968153	297.163	ZYMKYCFVKLTPHG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112860
O=C(c1cc(Br)ccc1F)C1C2C1CCCC2	PC-id_115784543	297.163	YGVHPOHEOOIIDN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112861
O=C(c1cccc(c1F)Br)C1C2C1CCCC2	PC-id_106647448	297.163	HSBKEFMDGRQPKF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112862
CCCCC(CC)COC(=O)C1CC2C(O2)CC1C(=O)[O-]	PC-id_154082315	297.171	PBOAYFLHQXMTBK-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-112863
CCCCCCCCOC(=O)C1CC2C(O2)CC1C(=O)[O-]	PC-id_154101192	297.171	KFYZYHYCHLKKJK-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-112864
C1CCC2(C(C1)O2)C(=O)C=Cc1c(cc(cc1)Cl)Cl	PC-id_86809679	297.176	DMVKEWNYYPMWNW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112865
CC1[C@H]2C(N2)(OC(=CC(=C1S)C(C)(C)C)C(C)OC)C	PC-id_164087017	297.176	XCSSRQUTOCCTEE-LNVNLZDRSA-N	00100000000000000110010000000000000000000000000000000000	22-01-112866
Clc1ccc(c(c1)Cl)/C=C/C(=O)[C@@]12CCCC[C@@H]1O2	PC-id_97952706	297.176	DMVKEWNYYPMWNW-CJKAQPIMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112867
Clc1ccc(c(c1)Cl)/C=C/C(=O)[C@]12CCCC[C@H]1O2	PC-id_97952707	297.176	DMVKEWNYYPMWNW-IPKOWEFYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112868
Clc1ccc(c(c1)Cl)/C=C/C(=O)[C@]12CCCC[C@@H]1O2	PC-id_98155941	297.176	DMVKEWNYYPMWNW-SJKUQHEZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112869
Clc1ccc(c(c1)Cl)/C=C/C(=O)[C@@]12CCCC[C@H]1O2	PC-id_98155942	297.176	DMVKEWNYYPMWNW-ZWXLGZMVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112870
CCO/N=C(C1C2C1=CNC2)/c1ccc(c(c1)Cl)Cl	SCHEMBL18726970	297.18	JTDAIPIHAFUSJG-JXAWBTAJSA-N	00100011000000110000010000000000000000000000000000000000	22-01-112871
Brc1ccc(cc1)CCCOC1CCC2C1O2	PC-id_19995820,SCHEMBL9775120	297.188	TZGHAEJXOFCBLZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112872
Brc1ccc(cc1)CCCO[C@@H]1CC[C@@H]2[C@H]1O2	PC-id_18646474,SCHEMBL9775118	297.188	TZGHAEJXOFCBLZ-MCIONIFRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112873
Brc1cc(C(O)C2C3C2CCC3)ccc1OC	PC-id_81644204	297.188	ARBXSPCHCOFUAA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112874
Brc1cc(C(O)C2C3C2CCC3)c(OC)cc1	PC-id_81644392	297.188	MLTUPEJAWBZVEO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112875
Brc1cc(C(O)C2CC3C(C3)C2)ccc1OC	PC-id_80470301	297.188	FDSOSEKIVRETSM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112876
Brc1cc(C(O)C2CC3C(C3)C2)c(OC)cc1	PC-id_80470348	297.188	BRHODTXINWPONZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112877
Brc1c(C(O)C2C3C2CCC3)ccc(OC)c1	PC-id_81643293	297.188	NGUDUKNTTHBMFE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112878
Brc1c(C(O)C2CC3C(C3)C2)ccc(OC)c1	PC-id_80470405	297.188	NPGMZOWEAGDATE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112879
COc1ccc(cc1CC1(O)CCC2C1C2)Br	PC-id_112740395	297.188	ONIUHGFHSMCVJM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112880
CCCn1ncc(c1C(=O)C1C2C1CCC2)Br	PC-id_115804804	297.191	FTKJLGIANBEERX-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112881
CCCn1ncc(c1C(=O)C1CC2C(C1)C2)Br	PC-id_115804566	297.191	XZVMKYGBRFBGBO-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112882
CC(n1ncc(c1C(=O)C1C2C1CCC2)Br)C	PC-id_115805483	297.191	UXRXWMNPYPBCCC-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112883
CCn1ncc(c1C(=O)C1C2C1CCCC2)Br	PC-id_115803527	297.191	PLPGKKNTFFXYBC-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112884
CC(n1ncc(c1C(=O)C1CC2C(C1)C2)Br)C	PC-id_115805281	297.191	KHPIRWTWRVHLMP-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112885
COc1ncnc(c1)CC(C1C2C1CCC2)Br	PC-id_104304441	297.191	DCBZTIVHWDKNEW-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-112886
COc1ncnc(c1)CC(C1CC2C(C1)C2)Br	PC-id_104304588	297.191	GFGYJMWGTAGBBQ-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-112887
O=C(C1C2C1CCC2)Cc1n(C)nc(c1Br)C	PC-id_114982307	297.191	KJFQTKWHLLITKB-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112888
O=C(C1CC2C(C1)C2)Cc1n(C)nc(c1Br)C	PC-id_114982157	297.191	PDHFQPKKNGNYBE-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112889
O=C(c1cc(cn1C)Br)N1CC2C(C1)C2(C)C	EMOLS-id_102545744	297.191	XRQYAOOKQSPZRL-UHFFFAOYSA-N	00100010110000000000010000000000000000000000000000000000	22-01-112890
CC[C@@]1([C@@H]2C1(CC=C(C2)NC(=O)OC(C)(C)C)C)C(O)O	PC-id_147281795	297.194	CSLHBMSCYHJCNL-HUUWRSPUSA-N	00100000000011000000010000000000000000000000000000000000	22-01-112891
CCC(C)C(=O)OCCCCNC(=O)C1CCC2C(C1)O2	PC-id_153307266	297.194	ZVFJVRDBUDHHDK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-112892
CCN(CC)C(=O)NC1C2C1CN(C2)C(=O)OC(C)(C)C	EMOLS-id_257922544,MCULE-2200028761,PC-id_154759060	297.205	BOWSNQUAFPJTMK-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-112893
BrC(C1C2C1CCC2)c1cc(c(F)c(c1)C)C	PC-id_81636351	297.206	GWWASIYEKDIQKA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112894
BrC(C1C2C1CCCC2)c1cc(c(F)cc1)C	PC-id_81637498	297.206	MBOXBMUYRXCSKM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112895
BrC(C1C2C1CCCC2)Cc1ccc(F)cc1	PC-id_81636404	297.206	JPOYVHSMHBWCDA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112896
BrC(C1C2C1CCCC2)Cc1cc(F)ccc1	PC-id_81637715	297.206	QLAUZIVHUHWLJA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112897
BrC(C1C2C1CCCC2)Cc1c(F)cccc1	PC-id_81638056	297.206	WRGVZOSLXZFNBU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112898
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BrCC1(CC2C(C2)C1)Cc1n(nc(c1)CC)C	PC-id_80473087	297.234	VLMINJBSKSPVHX-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112906
BrCC1(CC2C(C2)C1)Cc1n(nc(c1)C)CC	PC-id_80473149	297.234	XVBVVVDDBLMJQA-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112907
BrCC1(CC2C(C2)C1)Cc1nn(cc1)C(C)C	PC-id_80473240	297.234	DWRIMQABGMDRES-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112908
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[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cccc(F)c1F)C(=O)O	PC-id_135101481,EMOLS-id_317358951,ZINC22_1704310778,MCULE-3444293975	297.254	SFORSNRSNDZOPC-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112910
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[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C(=O)COc1ccc(cc1F)F	EMOLS-id_177411955,MCULE-9335515108,ZINC22_426479823	297.254	VFYIJNJJDIKIJO-WOFXILAISA-N	00100010000000110000010000000000000000000000000000000000	22-01-112912
COc1c(c(c(cc1)F)F)C(=O)N1CC2C(C1)C2C(=O)O	PC-id_91837751	297.254	WSOPSPXKHUHZBJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112913
OC(=O)C12CN(CC1C2(F)F)C(=O)OCc1ccccc1	EMOLS-id_329991439	297.254	LRAJEDLARCQMEM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112914
OC(=O)C1[C@@H]2[C@H]1CN(C2)C(=O)COc1ccc(cc1F)F	PC-id_121501108	297.254	VFYIJNJJDIKIJO-PHXKMMTBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-112915
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O(C(=O)C1C2C1CCC2(N)C(=O)O)Cc1oc(=O)oc1C	PC-id_72658731	297.261	IEUOTXBOFOJQRY-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-112919
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C12(CO)N(CCCC1C2(F)F)C(=O)OCc1ccccc1	EMOLS-id_194828830,MCULE-3454378531	297.297	SRNRHSRVJYREDC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112921
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FC(F)Oc1cc(NC(=O)C2CC3C(C3)C2)ccc1OC	PC-id_80470113	297.297	DYULQXWYUJULOH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112923
FC(F)Oc1c(NC(=O)C2CC3C(C3)C2)cc(OC)cc1	PC-id_80469560	297.297	MPKYNSRLEIQVHO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-112924
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OCC12CCN(CC1C2(F)F)C(=O)OCc1ccccc1	EMOLS-id_331239230	297.297	GPOPQHCVWVGTAF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112928
CNc1ccc(nc1)C(=O)NC[C@]12OCCC[C@H]1C2(F)F	EMOLS-id_319943729,MCULE-3364624640	297.3	RMTCWMNTKCOQEH-YPMHNXCESA-N	00100000000010101000010000000000000000000000000000000000	22-01-112929
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CCOC(=O)C1C2C1C(CC2=O)(C(=O)OCC)NC(=O)C	PC-id_86691261	297.304	LSHVCBOHXVVWMD-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-112932
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P(=O)(N1C2C1CCCC2)(c1ccccc1)c1ccccc1	PC-id_11044692	297.331	KEIVZFMFSPPXSZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112989
O(C1(OC)[NH+]=C(N)C2(C1(C2Cc1ccccc1)C#N)C#N)C	PC-id_78737038	297.332	OUUTUVXVECWCCR-UHFFFAOYSA-O	00100011000000110000010000000000000000000000000000000000	22-01-112990
O(C1(OC)[NH+]=C(N)[C@@]2([C@]1([C@@H]2Cc1ccccc1)C#N)C#N)C	PC-id_8608768	297.332	OUUTUVXVECWCCR-BPLDGKMQSA-O	00100011000000110000010000000000000000000000000000000000	22-01-112991
O(C1(OC)[NH+]=C(N)[C@@]2([C@]1([C@H]2Cc1ccccc1)C#N)C#N)C	PC-id_8608775	297.332	OUUTUVXVECWCCR-NWANDNLSSA-O	00100011000000110000010000000000000000000000000000000000	22-01-112992
COc1ccc(cc1)c1n[nH]c(c1)C(=O)N1CCCC2C1C2	EMOLS-id_318536467	297.352	CWUPRMWYSDGKJZ-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113078
CC(Cc1ccccc1O)NC[C@]12OCCC[C@H]1C2(F)F	EMOLS-id_318872035	297.34	GISBRGOHJVNTPP-JBAPVGOWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-112993
COc1nc(ccc1OCC1CC2C(C1)C2(F)F)C(C)C	SCHEMBL20820253,PC-id_138473741	297.34	HDODWGMTQOUBLY-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-112994
C/C=CC=C(/C(c1cc(F)cc(c1)F)C)c1ccc2c(c1)N2	PC-id_144943829	297.342	GOBJBTXSBLVQDH-XCMKXHSXSA-N	00100000000000110000010000000000000000000000000000000000	22-01-112995
CCc1[nH]cc(n1)CNC(=O)CC12CCCCC1C2(F)F	EMOLS-id_320047639,MCULE-9341958174	297.344	FSAVNGYQZZKPNL-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112996
O=C(CC12CCCCC1C2(F)F)NCc1nc([nH]c1C)C	EMOLS-id_318960601	297.344	YBRRHLOUPHSPJT-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112997
O=C(CC12CCCCC1C2(F)F)NCc1[nH]nc(c1C)C	EMOLS-id_319427814	297.344	KVVNHXIWQPZTJH-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112998
O=C(CC12CCCCC1C2(F)F)NCc1nn(cc1C)C	EMOLS-id_319458654	297.344	MFLODJPZDUVXQP-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-112999
O=C(CC12CCCCC1C2(F)F)NCC(c1ncc[nH]1)C	MCULE-6466530582,EMOLS-id_320127371	297.344	IJKSNBAXFMINOC-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-113000
O=C(N(CCc1c[nH]cn1)C)CC12CCCCC1C2(F)F	EMOLS-id_318968154	297.344	VFJZWJVOUDKPNM-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-113001
O=C(C1C2C1CCCC2)Nc1ccccc1S(=O)(=O)F	PC-id_116814175	297.345	BNRMRWQGKRZXSA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-113002
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1ccccc1F	EMOLS-id_112095332	297.345	XYEBWNGWHBHERB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-113003
O=C(Cc1ccc(cc1)S(=O)(=O)F)NC1CC2C(C1)C2	EMOLS-id_319630745	297.345	RRZKIPUKWPCDBH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113004
S(=O)(=O)(c1cc(NC(=O)C2CC3C(C3)C2)c(F)cc1)C	PC-id_80471315	297.345	DMKKUIKMRSWABY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113005
CC(C)(C)OC(=O)N1C(CC2(C1C2)COCC=C)C(=O)O	SCHEMBL20487982,PC-id_135318158	297.347	FKPZUTPCMIUECF-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-113006
CC(C)(C)OC(=O)N1[C@@H](C[C@]2([C@@H]1C2)COCC=C)C(=O)O	SCHEMBL20487373,PC-id_135317577	297.347	FKPZUTPCMIUECF-ZIBATOQPSA-N	00100010000000000000010000000000000000000000000000000000	22-01-113007
CC(C)(C)OC(=O)N1[C@@H](C[C@@]2([C@H]1C2)COCC=C)C(=O)O	SCHEMBL20487926,PC-id_135318106	297.347	FKPZUTPCMIUECF-RWSFTLGLSA-N	00100010000000000000010000000000000000000000000000000000	22-01-113008
C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H]2[N+](=O)[O-])C(C)C	PC-id_101042556	297.347	HBVMNLHSUPRZNJ-JWHMSUDPSA-N	00100010000010000000010000000000000000000000000000000000	22-01-113009
CCOC(=O)CC[C@@H](C(=O)O)NC(=O)C1C2C1CCCC2	PC-id_107039170	297.347	XBVMUTHYJICNKC-FOBZMYGMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113010
CCOC(=O)CC(=O)C1C2CN(CC12)C(=O)OC(C)(C)C	SCHEMBL16210149,EMOLS-id_303180665,MCULE-6053504384,PC-id_117678153	297.347	BGEQRWRWGWKUOF-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-113011
CCOC(=O)CC(=O)C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_117678154,SCHEMBL16210152	297.347	BGEQRWRWGWKUOF-HWYHXSKPSA-N	00100010000000000000010000000000000000000000000000000000	22-01-113012
CCOC(=O)CC(=O)[C@@H]1[C@H]2CN(C[C@@H]12)C(=O)OC(C)(C)C	ZINC22_575441119,EMOLS-id_89942594,SCHEMBL16210151,MCULE-7738317976	297.347	BGEQRWRWGWKUOF-IWIIMEHWSA-N	00100010000000000000010000000000000000000000000000000000	22-01-113013
CNC(=O)OCC1CC(O)[C@@H]2[C@H](O1)S2(C)N(NC)F	SCHEMBL18535658	297.347	FPKCHYDBUXQCTL-GEPGNKONSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113014
O=C(NC(C(=O)OCC)C(=O)OCC)C1C2C1CCCC2	PC-id_79164757	297.347	TWBMTPDGTDFXJN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113015
O=C(N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)C1C2C1CCC2	PC-id_82813102	297.347	STIAJZLAWOVAAZ-YZHSWQFHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-113016
O=C(N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)C1CC2C(C2)C1	PC-id_82812794	297.347	BQFSSDXZZCJJTO-QUBJWBRDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-113017
Cc1ccc(c2ccccc2CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)o1	EMOLS-id_49868546,ZINC22_216958535,MCULE-1348430226	297.348	RVIQRRGBDGXGFR-QLPKVWCKSA-N	00100010101000110000110000000000000000000000000000000000	22-01-113018
CCCC(c1cccc2c1O2)NC(=O)OCc1ccccc1	PC-id_141195493	297.348	BKMUEXFGTHKMFN-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-113019
OCC12CN(CC1C2)C(=O)c1c(C)coc1c1ccccc1	EMOLS-id_318452501	297.348	VCMFCCIWPFFBFS-UHFFFAOYSA-N	00100010101000110000110000000000000000000000000000000000	22-01-113020
OCC12CN(CC1C2)C(=O)c1cc(oc1C)c1ccccc1	EMOLS-id_318522825	297.348	MHIGXUDJKRYKRP-UHFFFAOYSA-N	00100010101000110000110000000000000000000000000000000000	22-01-113021
OCC12CN(CC1C2)C(=O)c1c(C)occ1c1ccccc1	EMOLS-id_318480555	297.348	NVDZBZXMVHYMRQ-UHFFFAOYSA-N	00100010101000110000110000000000000000000000000000000000	22-01-113022
OC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1c(C)coc1c1ccccc1	EMOLS-id_318799874	297.348	ZKHMIEKJPUFIEH-FICVDOATSA-N	00100010101000110000110000000000000000000000000000000000	22-01-113023
OC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1cc(oc1C)c1ccccc1	EMOLS-id_318741753	297.348	ZTWZVIBEFZMBHW-ZSHCYNCHSA-N	00100010101000110000110000000000000000000000000000000000	22-01-113024
OC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1c(C)occ1c1ccccc1	EMOLS-id_318744975	297.348	ATVUVKXXKCGXMO-FICVDOATSA-N	00100010101000110000110000000000000000000000000000000000	22-01-113025
OC(=O)C1[C@@H]2[C@H]1CN(C2)Cc1c(cccc1)c1oc(cc1)C	PC-id_77079792	297.348	RVIQRRGBDGXGFR-FKEKPDDDSA-N	00100010101000110000110000000000000000000000000000000000	22-01-113026
CN(CCN1CCOCC1)C(=O)C1[C@H]2[C@@H]1CN(C2)C(=O)O	PC-id_134346987,SCHEMBL19971664	297.35	YOTRVYIZTJVSQY-FOSCPWQOSA-N	00100010000010000001010000000000000000000000000000000000	22-01-113027
CN(C(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)O)CCN1CCOCC1	SCHEMBL19971662	297.35	YOTRVYIZTJVSQY-GDNZZTSVSA-N	00100010000010000001010000000000000000000000000000000000	22-01-113028
CN(C(=O)[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)O)CCN1CCOCC1	SCHEMBL19971663	297.35	YOTRVYIZTJVSQY-ZSBIGDGJSA-N	00100010000010000001010000000000000000000000000000000000	22-01-113029
COC(=O)NC(C(=O)N1C2CC2CC1C(=O)NC)C(C)C	PC-id_69629901,SCHEMBL5996147	297.35	HFBJPCQJCGQKKE-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-113030
COC(=O)NC(C(=O)N1CC2C(C1C(=O)NC)C2)C(C)C	SCHEMBL5994306,PC-id_69629322	297.35	JAEULPIKTKZJAE-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-113031
O1c2c1c(O)n(C(CC(C)C)C(=O)NCCCCN)c2O	PC-id_76088704	297.35	JRQHWTHIVCYMLV-UHFFFAOYSA-N	00100000100000000000010000000000000000000000000000000000	22-01-113032
O1c2c1c(O)n([C@@H](CC(C)C)C(=O)NCCCCN)c2O	PC-id_53971061	297.35	JRQHWTHIVCYMLV-VIFPVBQESA-N	00100000100000000000010000000000000000000000000000000000	22-01-113033
C1C2C(C2COC(=O)n2ccnc2)CN1Cc1ccccc1	PC-id_92020685	297.352	WWPPFFXOZBILGN-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-113034
COc1ccc(cc1)c1n[nH]cc1C(=O)N1CCCC2C1C2	EMOLS-id_318750810	297.352	JNYXHWCPAKONEV-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113079
c1(C(=O)N2CC3C(C3)(CC)C2)cc(=O)n(c2ccccc2)[nH]1	MCULE-3964467662,EMOLS-id_317859777	297.352	BGXXHYNSQWHZNQ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113035
CC1(C2(N1N2)S(=O)(=O)N1CCCCC1)S(=O)(=O)O	PC-id_90849089	297.352	GNNBQXAYBHGSIT-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-113036
Cc1cccc(CN2C[C@@H]3C[C@@]3(C2)NC(=O)c2ccco2)n1	ZINC22_96248961,EMOLS-id_324076850,PC-id_97510798	297.352	AEXZHBMYQQHGKD-GUYCJALGSA-N	00100010101000101000010000000000000000000000000000000000	22-01-113037
Cc1cccc(CN2C[C@@H]3C[C@@]3(C2)NC(=O)c2ccoc2)n1	EMOLS-id_324077106,PC-id_97510799,ZINC22_96248962	297.352	NTCVQPQKZVLINY-YOEHRIQHSA-N	00100010101000101000010000000000000000000000000000000000	22-01-113038
Cc1cccc(CN2C[C@H]3C[C@]3(NC(=O)c3ccco3)C2)n1	PC-id_98778874,ZINC22_107254024	297.352	AEXZHBMYQQHGKD-DYVFJYSZSA-N	00100010101000101000010000000000000000000000000000000000	22-01-113039
Cc1cccc(CN2C[C@H]3C[C@]3(NC(=O)c3ccoc3)C2)n1	ZINC22_107254033,PC-id_98778875	297.352	NTCVQPQKZVLINY-PBHICJAKSA-N	00100010101000101000010000000000000000000000000000000000	22-01-113040
Cc1cccc(n1)CN1CC2[C@@](C1)(C2)NC(=O)c1ccco1	PC-id_118738955	297.352	AEXZHBMYQQHGKD-RUINGEJQSA-N	00100010101000101000010000000000000000000000000000000000	22-01-113041
Cc1cccc(n1)CN1CC2[C@@](C1)(C2)NC(=O)c1cocc1	PC-id_118738963	297.352	NTCVQPQKZVLINY-JRZJBTRGSA-N	00100010101000101000010000000000000000000000000000000000	22-01-113042
Cc1cc(Oc2ccc(NC(=O)C3[C@H]4CCC[C@H]34)cc2)n[nH]1	PC-id_98234976,ZINC22_101719268	297.352	NJCUWIUCNUPGSR-KBPBESRZSA-N	00100010100010110001010000000000000000000000000000000000	22-01-113043
Cc1cc(Oc2ccc(NC(=O)C3[C@@H]4CCC[C@@H]34)cc2)n[nH]1	ZINC22_101719273,PC-id_98234977	297.352	NJCUWIUCNUPGSR-ZIAGYGMSSA-N	00100010100010110001010000000000000000000000000000000000	22-01-113044
Cc1cc(Oc2ccc(NC(=O)[C@@H]3[C@H]4CCC[C@@H]34)cc2)n[nH]1	ZINC22_247513308	297.352	NJCUWIUCNUPGSR-FOLVSLTJSA-N	00100010100010110001010000000000000000000000000000000000	22-01-113045
Cc1cnc(O)n1c1ccc(C(=O)N2CCC[C@H]3C[C@@H]23)cc1	ZINC22_804299759	297.352	SAEJSVLCFPCJHC-DZGCQCFKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113046
Cc1cnc(O)n1c1ccc(C(=O)N2CCC[C@@H]3C[C@H]23)cc1	ZINC22_804299760	297.352	SAEJSVLCFPCJHC-HIFRSBDPSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113047
Cc1cnc(O)n1c1ccc(C(=O)N2CCC[C@@H]3C[C@@H]23)cc1	ZINC22_804299761	297.352	SAEJSVLCFPCJHC-UKRRQHHQSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113048
Cc1cnc(O)n1c1ccc(C(=O)N2CCC[C@H]3C[C@H]23)cc1	ZINC22_804299762	297.352	SAEJSVLCFPCJHC-ZFWWWQNUSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113049
Cc1nc([C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)c2ccccc2)no1	ZINC22_1875296586	297.352	DYVMNAUKSWYFHG-CBBWQLFWSA-N	00100010100010110001010000000000000000000000000000000000	22-01-113050
Cc1nc([C@@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)c2ccccc2)no1	ZINC22_1875296587	297.352	DYVMNAUKSWYFHG-YJNKXOJESA-N	00100010100010110001010000000000000000000000000000000000	22-01-113051
Cc1nnc(o1)c1cccc(c1)C(=O)NC1CCCC2C1C2	EMOLS-id_318392521	297.352	BYGPIYBBZSHGKM-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113052
Cc1nnc(o1)c1ccc(cc1)C(=O)NC1CCCC2C1C2	EMOLS-id_318620988	297.352	BLDQJIUILRFKPE-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113053
Cc1nnc(o1)c1ccccc1C(=O)NC1CCCC2C1C2	EMOLS-id_318628575	297.352	WEJYJADLXZHYOO-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113054
Cc1nnc(o1)c1cccc(c1)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318401003	297.352	BYGPIYBBZSHGKM-IFVPNFOKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113055
Cc1nnc(o1)c1ccc(cc1)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318582485	297.352	BLDQJIUILRFKPE-GNXJLENFSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113056
Cc1nnc(o1)c1ccccc1C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318628319	297.352	WEJYJADLXZHYOO-IFVPNFOKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113057
Cc1noc(Cc2ccc(NC(=O)C3[C@H]4CCC[C@H]34)cc2)n1	ZINC22_885611951	297.352	ISHPEZPDGFZZHV-KBPBESRZSA-N	00100010100010110001010000000000000000000000000000000000	22-01-113058
Cc1noc(Cc2ccc(NC(=O)C3[C@@H]4CCC[C@@H]34)cc2)n1	ZINC22_885611952	297.352	ISHPEZPDGFZZHV-ZIAGYGMSSA-N	00100010100010110001010000000000000000000000000000000000	22-01-113059
Cc1noc(Cc2ccc(NC(=O)[C@@H]3[C@H]4CCC[C@@H]34)cc2)n1	ZINC22_885611950	297.352	ISHPEZPDGFZZHV-FOLVSLTJSA-N	00100010100010110001010000000000000000000000000000000000	22-01-113060
Cc1noc(n1)c1ccccc1C(=O)NC1CCCC2C1C2	EMOLS-id_318569361	297.352	VEWLPHASRJNXKV-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113061
Cc1noc(n1)c1ccc(cc1)C(=O)NC1CCCC2C1C2	EMOLS-id_318583652	297.352	SZBSUCQXXUNBMP-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113062
Cc1noc(n1)c1ccccc1C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318569105	297.352	VEWLPHASRJNXKV-IFVPNFOKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113063
Cc1noc(n1)c1ccc(cc1)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318700660	297.352	SZBSUCQXXUNBMP-GNXJLENFSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113064
Cc1onc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-8249057404,EMOLS-id_317731243	297.352	JETSDBPIWRLLKC-FOLVSLTJSA-N	00100010100000110001010000000000000000000000000000000000	22-01-113065
CC[C@@]12C[C@@H]1CN(C(=O)c1cc(=O)n(c3ccccc3)[nH]1)C2	ZINC22_1772814776	297.352	BGXXHYNSQWHZNQ-PXAZEXFGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113066
CC[C@@]12C[C@H]1CN(C(=O)c1cc(=O)n(c3ccccc3)[nH]1)C2	ZINC22_1772814777	297.352	BGXXHYNSQWHZNQ-SJCJKPOMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113067
CC[C@]12C[C@@H]1CN(C(=O)c1cc(=O)n(c3ccccc3)[nH]1)C2	ZINC22_1772814778	297.352	BGXXHYNSQWHZNQ-SJKOYZFVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113068
CC[C@]12C[C@H]1CN(C(=O)c1cc(=O)n(c3ccccc3)[nH]1)C2	ZINC22_1772814779	297.352	BGXXHYNSQWHZNQ-YVEFUNNKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113069
CCc1ccccc1n1cc(c(n1)C(=O)N1CC2C(C1)C2)O	EMOLS-id_318730885	297.352	PJYDCRZJXRUQNG-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113070
CC(c1ncc(o1)c1ccccc1)NC(=O)N1CC2C(C1)C2	EMOLS-id_318517925	297.352	HWCBJLOISXEFSL-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113071
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)Cc1ccccc1Cn1cccn1	ZINC22_216975254,MCULE-5884243352,EMOLS-id_49869174	297.352	UPCOSMYRERAFAJ-ZSHCYNCHSA-N	00100010100000110001010000000000000000000000000000000000	22-01-113072
Cn1ncc(c1)c1ccc(cc1)CNC(=O)[C@@]12COC[C@@H]1C2	EMOLS-id_319496761	297.352	RPHTUABHURDJDA-RDJZCZTQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113073
Cn1ncc(c1)Oc1ccccc1C(=O)NC1CCC2C1C2	EMOLS-id_318494062	297.352	BBDURRPDHVXQHK-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-113074
COc1cccc(c1)c1nc(c([nH]1)C)C(=O)N1CC2C(C1)C2	EMOLS-id_318690624	297.352	VKNWTBYNZZGHFY-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113075
COc1ccccc1c1n[nH]c(c1)C(=O)N1CCCC2C1C2	EMOLS-id_318451889	297.352	KQNFPADWVSRHEK-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113076
COc1cccc(c1)c1n[nH]c(c1)C(=O)N1CCCC2C1C2	EMOLS-id_318485205	297.352	ZSMQJWSTXZTWSB-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113077
N#Cc1ccc(cc1)CCC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_320173129,MCULE-4801335688	297.352	HBBUJXOFOIGWOO-PBHICJAKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-113080
N#Cc1ccc(nc1)OC1CCN(C1)C(=O)C1C2C1CCC2	EMOLS-id_98759666	297.352	MNCISRRIDLLSJE-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-113081
O(C1C2C1CN(C2)Cc1ccccc1)C(=O)n1c(ncc1)C	SCHEMBL4246572,PC-id_68973407	297.352	VHGQQOYZUBEEJW-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-113082
Oc1ccc(cc1C(=O)N1CC2C(C1)C2(C)C)n1cncc1	EMOLS-id_319753807	297.352	UWFBXWKPWBLLLM-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113083
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)c1c[nH]cn1	MCULE-8695811241,EMOLS-id_319861154	297.352	PWSOXTZVZPYQPH-RHSMWYFYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113084
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)c1c[nH]nc1	EMOLS-id_320022586,MCULE-8272657271	297.352	UQEWANRZCVKWQR-NVXWUHKLSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113085
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)n1cccn1	EMOLS-id_319061159	297.352	REOLSUYYEWLUNP-RHSMWYFYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113086
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)n1cccn1	EMOLS-id_320049784,MCULE-4966686087	297.352	PIENSRDDPBLFGU-RHSMWYFYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113087
OC[C@]12C[C@H]1CCCN2C(=O)c1ccn(n1)c1ccccc1	EMOLS-id_320232485,MCULE-2144989368	297.352	NRPSKXQJEFRTLY-CXAGYDPISA-N	00100000100010110001110000000000000000000000000000000000	22-01-113088
OC[C@]12C[C@H]1CCCN2C(=O)c1c[nH]c(n1)c1ccccc1	EMOLS-id_320244325,MCULE-8576350077	297.352	BCCICXFVQXKNIF-CXAGYDPISA-N	00100000100010110001110000000000000000000000000000000000	22-01-113089
OC[C@]12C[C@H]1CCCN2C(=O)c1ncn(c1)c1ccccc1	EMOLS-id_318989165	297.352	KZSQNEYVRALWDT-CXAGYDPISA-N	00100000100010110001110000000000000000000000000000000000	22-01-113090
OC[C@]12C[C@H]1CCCN2C(=O)c1n[nH]c(c1)c1ccccc1	MCULE-6821952164,EMOLS-id_319972525	297.352	ISWULOXZAQGSMB-CXAGYDPISA-N	00100000100010110001110000000000000000000000000000000000	22-01-113091
OCC12CN(CC1C2)C(=O)c1cc(C)ccc1n1cncc1	EMOLS-id_318512355	297.352	ASAXXWGSRRUEPA-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113092
OCC12CN(CC1C2)C(=O)c1cc(nn1c1ccccc1)C	EMOLS-id_318492967	297.352	ITDGUGXTPCQQTR-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113093
OCC12CN(CC1C2)C(=O)c1cn(nc1c1ccccc1)C	EMOLS-id_318764549	297.352	UZFAMGNDQDTJDN-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113094
O=C([C@@]12COC[C@@H]1C2)NCc1ccc(cc1C)n1cccn1	EMOLS-id_319526281	297.352	TXIREHBHFXKZSH-YOEHRIQHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113095
O=C(C1C2C1CCC2)Nc1ccc(cc1)C1=NNC(=O)CC1	EMOLS-id_100518314	297.352	GJJOZNPBXWBMOV-UHFFFAOYSA-N	00100010000011110001110000000000000000000000000000000000	22-01-113096
O=C(C1C2C1CCC2)Nc1ccc(cc1)Oc1cc([nH]n1)C	MCULE-5495012915,PC-id_71914675,EMOLS-id_45679305	297.352	NJCUWIUCNUPGSR-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-113097
O=C(C1C2C1CCC2)NC(c1onc(n1)C)c1ccccc1	EMOLS-id_318685488	297.352	BOELGQSBRBDDPX-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-113098
O=C(c1c(C)onc1c1ccccn1)NC1CCCC2C1C2	EMOLS-id_318697281	297.352	XPDNLIATBOTJNU-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-113099
O=C(c1c(C)onc1c1ccccn1)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318697025	297.352	XPDNLIATBOTJNU-OJRHAOMCSA-N	00100000100010101001110000000000000000000000000000000000	22-01-113100
O=C(c1c(C)onc1c1cccnc1)NC1CCCC2C1C2	EMOLS-id_318557298	297.352	MQJJEHRCUBUPKJ-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-113101
O=C(c1c(C)onc1c1cccnc1)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318557042	297.352	MQJJEHRCUBUPKJ-LXKBMQFRSA-N	00100000100010101001110000000000000000000000000000000000	22-01-113102
O=C(c1c(C)onc1c1ccncc1)NC1CCCC2C1C2	EMOLS-id_318621933	297.352	HKZFZAPKTGXTAO-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-113103
O=C(c1c(C)onc1c1ccncc1)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318636106	297.352	HKZFZAPKTGXTAO-AMIUJLCOSA-N	00100000100010101001110000000000000000000000000000000000	22-01-113104
O=C(C1[C@@H]2[C@H]1CCC2)Nc1ccc(cc1)Oc1cc([nH]n1)C	PC-id_97069206	297.352	NJCUWIUCNUPGSR-MZBDJJRSSA-N	00100010100010110001010000000000000000000000000000000000	22-01-113105
O=C(C[C@@H]1[C@@H]2CN(Cc3ccco3)C[C@H]12)Nc1cccnc1	EMOLS-id_46141657,ZINC22_107745985	297.352	DTSITRYRBUPYIU-MUJYYYPQSA-N	00100010101000101000010000000000000000000000000000000000	22-01-113106
O=C(C[C@@H]1[C@@H]2CN(Cc3ccoc3)C[C@H]12)Nc1cccnc1	EMOLS-id_46178005,ZINC22_107802020	297.352	YIGBNYXWNVYOHH-MUJYYYPQSA-N	00100010101000101000010000000000000000000000000000000000	22-01-113107
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cccc(c1)c1nccn1C	EMOLS-id_318716791	297.352	MHZXMNNIBJXZJS-RBSFLKMASA-N	00100000100010110001110000000000000000000000000000000000	22-01-113108
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1ccc(cc1C)n1cccn1	EMOLS-id_318678451	297.352	ZIPFESDWUDYSHB-FVQBIDKESA-N	00100000100010110001110000000000000000000000000000000000	22-01-113109
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1ccc(cc1)n1ccc(n1)C	EMOLS-id_318488806	297.352	GHKFBIZIBHBHBP-BZUAXINKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113110
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1ccccc1n1nccc1C	EMOLS-id_318452885	297.352	MVWSGLOXNIRDSW-DAXOMENPSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113111
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1c(C)cnn1c1ccccc1	EMOLS-id_318674254	297.352	QBNMAFDQDBMGJN-RBSFLKMASA-N	00100000100010110001110000000000000000000000000000000000	22-01-113112
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cc(nn1c1ccccc1)C	EMOLS-id_318435990	297.352	XKCFDVBPBXEZMN-FVQBIDKESA-N	00100000100010110001110000000000000000000000000000000000	22-01-113113
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1ccnn1c1ccccc1C	EMOLS-id_318533505	297.352	GDFZSFPAMOLFCO-DAXOMENPSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113114
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1ccn(n1)c1ccc(cc1)C	EMOLS-id_318657858	297.352	MHMLXLPSIHQRKE-FVQBIDKESA-N	00100000100010110001110000000000000000000000000000000000	22-01-113115
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1ccnn1Cc1ccccc1	EMOLS-id_318540213	297.352	AGCLUUQBXYJMGK-FVQBIDKESA-N	00100000100010110001010000000000000000000000000000000000	22-01-113116
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cnn(c1c1ccccc1)C	EMOLS-id_318517585	297.352	QXVZWYMIYNXXHU-XNRPHZJLSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113117
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cn(nc1c1ccccc1)C	EMOLS-id_318594491	297.352	NDMZCHNISQJOND-XNRPHZJLSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113118
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cn(nc1C)c1ccccc1	EMOLS-id_318648543	297.352	MSKCFHAANAQMGX-FVQBIDKESA-N	00100000100010110001110000000000000000000000000000000000	22-01-113119
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cnn(c1C)c1ccccc1	EMOLS-id_318660435	297.352	XOVGJMSYSDQDGX-FVQBIDKESA-N	00100000100010110001110000000000000000000000000000000000	22-01-113120
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1nn(c(c1)C)c1ccccc1	EMOLS-id_318425011	297.352	QUHKQZBOAOMMDU-FVQBIDKESA-N	00100000100010110001110000000000000000000000000000000000	22-01-113121
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1nn(cc1C)c1ccccc1	EMOLS-id_318569765	297.352	DZNDWDGBZSDTLK-RBSFLKMASA-N	00100000100010110001110000000000000000000000000000000000	22-01-113122
O=C([C@@H]1[C@@H]2[C@H]1COC2)NCc1ccc(cc1C)n1cccn1	EMOLS-id_318886847	297.352	DXTIOCXBQUYHKM-ZSHCYNCHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113123
OC[C@@H]1[C@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@@H]12	MCULE-1922151604,ZINC22_367827019,EMOLS-id_316137224	297.352	DIWARVXUIGDNHN-ZSHCYNCHSA-N	00100010000000110001010000000000000000000000000000000000	22-01-113124
O=C(N1CC2C(C1)C2(C)C)Cc1nnc(o1)c1ccccc1	EMOLS-id_316634401	297.352	OPBKLNZBDPHUIW-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113125
O=C(N1CC2C(C1)C2(C)C)Nc1noc(c1)c1ccccc1	EMOLS-id_111928507	297.352	ZRRIVCKLKOWCJL-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113126
O=C(N1CC2C(C1)C2)NCc1coc(n1)c1ccc(cc1)C	EMOLS-id_318514817	297.352	VRTNRTHOHDYCQO-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113127
O=C(N1CCCC2C1C2)NCc1ccc(cc1)c1cnco1	EMOLS-id_318582321	297.352	LQMBZMIZVHQDNR-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113128
O=C(N1CCCC2C1C2)NCc1coc(n1)c1ccccc1	EMOLS-id_318763171	297.352	UPFXPJVUZPGYBQ-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113129
O=C(N1CCCC2C1C2)NCc1ncc(o1)c1ccccc1	EMOLS-id_318549522	297.352	RHXDESMWICGXHA-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113130
O=C(N1CCCC2C1C2)NCc1noc(c1)c1ccccc1	EMOLS-id_318379946	297.352	XJKPPOIPJLJILQ-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113131
O=C(Nc1ccccc1c1nnc(o1)C)CC1CCC2C1C2	EMOLS-id_318416038	297.352	XZKFQGFCBVUUKZ-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-113132
O=C(Nc1cccnc1)CC1[C@@H]2[C@H]1CN(C2)Cc1ccco1	PC-id_98815675	297.352	DTSITRYRBUPYIU-MQVJKMGUSA-N	00100010101000101000010000000000000000000000000000000000	22-01-113133
O=C(Nc1cccnc1)CC1[C@@H]2[C@H]1CN(C2)Cc1cocc1	PC-id_98819650	297.352	YIGBNYXWNVYOHH-MQVJKMGUSA-N	00100010101000101000010000000000000000000000000000000000	22-01-113134
O=C(O)[C@]12C[C@H]1CCCN2Cc1ccc(n2ccnc2)cc1	ZINC22_903935909,EMOLS-id_316987262	297.352	BEEVVWKTXLUHOI-PBHICJAKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113135
OC(=O)C1[C@H]2[C@@H]1CN(C2)Cc1c(Cn2nccc2)cccc1	PC-id_77080161	297.352	UPCOSMYRERAFAJ-XYPWUTKMSA-N	00100010100000110001010000000000000000000000000000000000	22-01-113136
C12(CC)CN(CC1C2)C(=O)c1ccc(cc1)c1nnn(C)n1	MCULE-4577481982,EMOLS-id_317875377	297.355	CHUMYQOBGFGSHK-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113137
C12(C)CN(CC1C2)C(=O)c1ccc(cc1)Cn1c(C)nnn1	EMOLS-id_317896877,MCULE-6477280527	297.355	LWUHYWIBGCFCAO-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-113138
Cc1[nH]nc(NC(=O)[C@@H]2C[C@H](N)[C@H]3C[C@@H]23)c1c1cccnc1	MCULE-8202215277,ZINC22_1775961331,EMOLS-id_316778939	297.355	SOWIXYNQOPXIPC-XQHKEYJVSA-N	00100010100010101001110000000000000000000000000000000000	22-01-113139
Cc1nnnn1Cc1ccc(C(=O)N2C[C@H]3C[C@]3(C)C2)cc1	ZINC22_1772806893	297.355	LWUHYWIBGCFCAO-GDBMZVCRSA-N	00100010100000110001010000000000000000000000000000000000	22-01-113140
Cc1nnnn1Cc1ccc(C(=O)N2C[C@@H]3C[C@]3(C)C2)cc1	ZINC22_1772806896	297.355	LWUHYWIBGCFCAO-GOEBONIOSA-N	00100010100000110001010000000000000000000000000000000000	22-01-113141
Cc1nnnn1Cc1ccc(C(=O)N2C[C@@H]3C[C@@]3(C)C2)cc1	ZINC22_1772806897	297.355	LWUHYWIBGCFCAO-HOCLYGCPSA-N	00100010100000110001010000000000000000000000000000000000	22-01-113142
Cc1nnnn1Cc1ccc(C(=O)N2C[C@H]3C[C@@]3(C)C2)cc1	ZINC22_1772806899	297.355	LWUHYWIBGCFCAO-ZBFHGGJFSA-N	00100010100000110001010000000000000000000000000000000000	22-01-113143
CC[C@@]12C[C@H]1CN(C(=O)c1ccc(c3nnn(C)n3)cc1)C2	ZINC22_1772810018	297.355	CHUMYQOBGFGSHK-BBRMVZONSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113144
CC[C@@]12C[C@@H]1CN(C(=O)c1ccc(c3nnn(C)n3)cc1)C2	ZINC22_1772810019	297.355	CHUMYQOBGFGSHK-CJNGLKHVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113145
CC[C@]12C[C@@H]1CN(C(=O)c1ccc(c3nnn(C)n3)cc1)C2	ZINC22_1772810020	297.355	CHUMYQOBGFGSHK-CZUORRHYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113146
CC[C@]12C[C@H]1CN(C(=O)c1ccc(c3nnn(C)n3)cc1)C2	ZINC22_1772810125	297.355	CHUMYQOBGFGSHK-XJKSGUPXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113147
CCn1cnnc1c1ccccc1NC(=O)N1CC2C(C1)C2	EMOLS-id_318413260	297.355	BHZARGCBYAMRIU-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113148
NCc1nc(c2ccc(NC(=O)C3[C@H]4CCC[C@H]34)cc2)n[nH]1	ZINC22_193334072	297.355	BIAMJQRFWTVMFC-RYUDHWBXSA-N	00100010100010110001110000000000000000000000000000000000	22-01-113149
NCc1nc(c2ccc(NC(=O)C3[C@@H]4CCC[C@@H]34)cc2)n[nH]1	ZINC22_193334105	297.355	BIAMJQRFWTVMFC-VXGBXAGGSA-N	00100010100010110001110000000000000000000000000000000000	22-01-113150
NCc1nc(c2ccc(NC(=O)[C@@H]3[C@H]4CCC[C@@H]34)cc2)n[nH]1	ZINC22_248830687	297.355	BIAMJQRFWTVMFC-IMRBUKKESA-N	00100010100010110001110000000000000000000000000000000000	22-01-113151
NCc1[nH]nc(n1)c1ccc(cc1)NC(=O)C1C2C1CCC2	EMOLS-id_302342574,PC-id_120566495,MCULE-9982969716	297.355	BIAMJQRFWTVMFC-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-113152
N[C@H]1C[C@H]2[C@@](C1)(C2)C(=O)Nc1cnccc1n1ccnc1C	EMOLS-id_320317589,MCULE-6945592953	297.355	BPCHCVFIOYOMDY-WQGACYEGSA-N	00100010100010101001110000000000000000000000000000000000	22-01-113153
N[C@@H]1C[C@H](C(=O)Nc2cnn(Cc3cccnc3)c2)[C@H]2C[C@@H]12	EMOLS-id_316764601,MCULE-2406294408,ZINC22_1615616034	297.355	XAAZZXUOKWZREY-LJISPDSOSA-N	00100010100010101001010000000000000000000000000000000000	22-01-113154
O=C(c1cnnn1C)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-4938386473,EMOLS-id_319923795	297.355	JJEQJEQSTUZXRN-NHAGDIPZSA-N	00100010100000110001010000000000000000000000000000000000	22-01-113155
O=C(C(n1nnc(n1)c1ccccc1)C)NC1CCC2C1C2	EMOLS-id_318497915	297.355	NYCVGVABFXVYDM-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-113156
O=C(N1CCCC2C1C2)Nc1ccccc1Cn1cncn1	EMOLS-id_318711457	297.355	IJBCSWAKEDZJDD-UHFFFAOYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-113157
O=C(N1CCCC2C1C2)Nc1cccc(c1)Cn1cncn1	EMOLS-id_318738686	297.355	LNROHUZNMNBCJS-UHFFFAOYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-113158
O=C(N1CCCC2C1C2)Nc1ccnn1Cc1ccccn1	EMOLS-id_318502102	297.355	KIEBAYNDAYCWKY-UHFFFAOYSA-N	00100000100010101001010000000000000000000000000000000000	22-01-113159
O=C(N1CCCC2C1C2)Nc1ccn(n1)Cc1ccccn1	EMOLS-id_318693473	297.355	MATAPVUCMCUMBC-UHFFFAOYSA-N	00100000100010101001010000000000000000000000000000000000	22-01-113160
O=C(N1CCCC2C1C2)Nc1ccn(n1)Cc1cccnc1	EMOLS-id_318442470	297.355	VLSYRCMDURNRTI-UHFFFAOYSA-N	00100000100010101001010000000000000000000000000000000000	22-01-113161
O=C(N1CCCC2C1C2)Nc1ccn(n1)Cc1ccncc1	EMOLS-id_318385019	297.355	CDQRFPYAUQQIFS-UHFFFAOYSA-N	00100000100010101001010000000000000000000000000000000000	22-01-113162
O=C(N1CCCC2C1C2)Nc1cnn(c1)Cc1ccccn1	EMOLS-id_318600316	297.355	BJFNEAGBOGONEF-UHFFFAOYSA-N	00100000100010101001010000000000000000000000000000000000	22-01-113163
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CCCNC(C1C2C1CCCC2)c1cc(c(s1)Cl)C	PC-id_102764188	297.886	HCSAPLQYRCWUBV-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-113353
CCCNC(C1C2C1CCCC2)Cc1ccc(s1)Cl	PC-id_115841464	297.886	NWVDZGKFSKYBHS-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-113354
Clc1sc(CC2(CC3C(C3)C2)CNC(C)(C)C)cc1	PC-id_80471185	297.886	SPXRLGPCCPLPKJ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-113355
Clc1sc(CC2(CC3C(C3)C2)CNCC(C)C)cc1	PC-id_80471879	297.886	PCHUABKMFGMTHP-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-113356
C1CC2C(C2(Br)Br)C[C@H]([C@@H]1O)O	PC-id_155273430	297.92	CRIKEUDNHRDWBH-TVVDDFTJSA-N	00100000000000000100010000000000000000000000000000000000	22-01-113357
BrC1CC2(OC2CC1Br)C(=O)C	PC-id_71416057	297.972	ITTZVYUGKKPNER-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113358
BrC(Br)C1OC(=O)C2C(C12)(C)C	PC-id_20492986,SCHEMBL10937512	297.972	WJHZXKQZSNPZEX-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-113359
COC(=O)[C@]12CCC[C@H]1C2(Br)Br	MCULE-5485732497,EMOLS-id_207574396	297.972	VSAIDJJPZOVCHN-VDTYLAMSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-113360
NC(=O)N1CCC2C(C1)C2(Br)Br	EMOLS-id_96531136	297.975	OFUDNORRSVEVMO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113361
NC(=O)N1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_96856083	297.975	OFUDNORRSVEVMO-CRCLSJGQSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113362
CC1C2C1(C(OC(C2)(CO)SBr)CO)O	PC-id_163886352	297.987	PXQSHWIIGLNXIX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113363
BrC1(Br)C2C1CCCC(O)CC2	PC-id_86103375	298.015	XHWLARIHNXSKSG-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-113364
COC1=CC(=C=CC(=C2CC2(C=C1)Cl)CC(=O)O)Cl	PC-id_160846630	298.016	SISLEZWSZVVBMK-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-113365
C[C@]12CC1C#CC(=C2I)CCCC=C	PC-id_164055156	298.022	WBZPJYVOOIYMKI-YUZLPWPTSA-N	00100000000011000000010000000000000000000000000000000000	22-01-113366
CC(C)(CN1CC2C(C1)C2[I-]C)F	PC-id_164062179	298.047	HZEIXKYUEQNNPG-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-113367
CCO/N=C(/C1C2C1CNC2)C3=CC(=C(C=C3)Cl)Cl	PC-id_153680232	298.064	LFRRTFFURXCZCY-NBVRZTHBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113368
c1ccc(cc1)/C(=CC(=O)O)/CCC1=CC(=CC2C1=C2)Cl	PC-id_163975423	298.076	STROHUULATWELU-QBFSEMIESA-N	00110000000011110000010000000000000000000000000000000000	22-01-113369
CC1=C(CC2CC2C1=O)OC3=CC=C(C=C3)OC(F)(F)F	PC-id_147631357	298.082	GFTXOPHUZYHQRM-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-113370
C1CC2C(O2)C(C1)(C(=O)OCC3CO3)C(=O)OCC4CO4	PC-id_154349679	298.105	VHUHHUBIQRGELW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113371
CCCOCCO[Si](C)(C1=C2C(=CC=C1)S2)OCC	PC-id_153829288	298.106	DJJLZKWRNMPZSN-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-113372
[P+](=C)(COC12C(C1)C(C(O)(C2C)C)[B])C[P+](=C)CC	PC-id_76654673	298.106	KCYDJIABYZQTDO-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-113373
[P+](=C)(CO[C@]12[C@H](C1)[C@H]([C@](O)([C@@H]2C)C)[B])C[P+](=C)CC	PC-id_57947294	298.106	KCYDJIABYZQTDO-RYMFRWLXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-113374
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Brc1cc(CN2C(=O)C3C(C3)C2=O)ccc1F	PC-id_64836808	298.108	ZVVKREBYMRVSHO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113376
Brc1cc(CN2C(=O)C3C(C3)C2=O)cc(F)c1	PC-id_79702605	298.108	NKHMNONEEXKFLG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113377
Brc1cc(CN2C(=O)C3C(C3)C2=O)c(F)cc1	PC-id_61301218	298.108	QQILXLJZMMWICY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113378
Brc1cc(F)c(CN2C(=O)C3C(C3)C2=O)cc1	PC-id_64836622	298.108	ZBIGUVYAMGIVQN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113379
Brc1c(CN2C(=O)C3C(C3)C2=O)cccc1F	PC-id_81520069	298.108	GEQSQXVRUXJHTB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113380
Brc1c(CN2C(=O)C3C(C3)C2=O)ccc(F)c1	PC-id_64836437	298.108	PHCIMFYMRKMKBO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113381
Clc1cc(C(=O)CN2C(=O)C3C(C3)C2=O)ccc1Cl	PC-id_64834750	298.121	YMWZHICZRVALQV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113382
Clc1c(C(=O)CN2C(=O)C3C(C3)C2=O)ccc(Cl)c1	PC-id_64835497	298.121	CGJTUSABUDQPCY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113383
Clc1c(C(=O)CN2C(=O)C3C(C3)C2=O)cc(Cl)cc1	PC-id_64836242	298.121	POPZVYKKEFWEAW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113384
CC1([C@H]2[C@@H]1CN(C2)C(=O)CNc1c(cc(cc1F)F)F)C	PC-id_163833304	298.129	OFOKAUPAKHPLFU-AOOOYVTPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113385
Brc1cc(NC2C3C2CNC3)c([N+](=O)[O-])cc1	PC-id_65343109	298.136	RMSKLPJURQFTPM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113386
Brc1cc([N+](=O)[O-])c(NC2C3C2CNC3)cc1	PC-id_43599072	298.136	BDPUQZUTYLXJLG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113387
Brc1c(NC2C3C2CNC3)ccc([N+](=O)[O-])c1	PC-id_61718487	298.136	WJSDMTYQPIGTKN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113388
Brc1c(n(nc1C)C)CN1C(=O)C2C(C2)C1=O	PC-id_65858154	298.136	CCXWYGOPBKBRBX-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-113389
C1CC2C(O2)(C(C1)(CC3CO3)OCC4CO4)OCC5CO5	PC-id_160965681	298.142	SXOXJMZTFHXHRC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113390
CCOCCOCCOC(C)Oc1c(c2c(C2)c(c1)O)O	PC-id_163788145	298.142	MUIOYUIYRMFPGK-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-113391
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Brc1c(F)cc(NC(=O)C2CC3C(C3)C2)cc1	PC-id_80467474	298.151	DULYJFTZTYZTMK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113396
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Brc1c(NC(=O)C2CC3C(C3)C2)ccc(F)c1	PC-id_80467539	298.151	DWHPXOIHKQIQCI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113398
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O=C(N[C@@H]1CC[C@H]2C[C@@H]12)c1c(F)cccc1Br	ZINC22_1875252422	298.151	ZLLURJRMNQJIPT-VAOFZXAKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113408
O=C(N[C@@H]1CC[C@@H]2C[C@H]12)c1c(F)cccc1Br	ZINC22_1875252423	298.151	ZLLURJRMNQJIPT-VHSKPIJISA-N	00100010000010110000010000000000000000000000000000000000	22-01-113409
CC(=O)C1CC2CC2N1C(=O)c1c(cc(cc1)Cl)Cl	PC-id_90178950	298.165	MIAAHDPSFVBVOL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113410
Clc1ccc(c(c1)Cl)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)C	SCHEMBL15743796	298.165	MIAAHDPSFVBVOL-JCOFBHIZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-113411
Brc1oc(CN(C(=O)C2CC3C(C3)C2)C)cc1	PC-id_80471690	298.176	WBGIRTVDADLYEN-UHFFFAOYSA-N	00100010101010000000010000000000000000000000000000000000	22-01-113412
O=C([C@]12CCC[C@H]1[C@@H]2Br)NCCc1ccco1	EMOLS-id_177319592,MCULE-8903934939	298.176	FYMQHTCFOUFIMG-GMXVVIOVSA-N	00100010101010000000010000000000000000000000000000000000	22-01-113413
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CCCOCCC(CC)CC(=O)OC1CCC2C(C1=O)O2	PC-id_163858474	298.178	PALIWJUGEQQJHK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113415
CCOC(=O)C1CCCCCCC(C2C1O2)C(=O)OCC	PC-id_163935928	298.178	RMUMNWJKRKXMJD-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-113416
Brc1cc(n(CC)c1)C(=O)NC1C2C1CNC2	PC-id_43639626	298.179	IRHYQLHHBMJKRU-UHFFFAOYSA-N	00100010110000000000010000000000000000000000000000000000	22-01-113417
Brc1cnn(c1C(=O)N1CC2C(C1)C2(C)C)C	EMOLS-id_102847068	298.179	CMBDMIGQVZHBEO-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-113418
CCc1n[nH]c(c1Br)C(=O)NC1CC2C(C1)C2	EMOLS-id_102243578	298.179	SVFRQQXTWLQVOX-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-113419
Cn1cc(c(n1)C(=O)N1CC2C(C1)C2(C)C)Br	EMOLS-id_102346084	298.179	RGVIJSXRKWQWDD-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-113420
COc1nc(ncc1Br)NC1CCCC2C1C2	MCULE-1720503134,EMOLS-id_317935669	298.179	NISNGKLYPQSSKQ-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-113421
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CC(C)(C)OC(=O)NC1[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_165367496	298.189	WSHUPZHLNGYGMB-ZACCUICWSA-N	00100010000000000000010000000000000000000000000000000000	22-01-113424
CCOC(=O)C1(C2C1CNCC2)CNC(=O)OC(C)(C)C	PC-id_164860976	298.189	CVWMEEBQFMWEAW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113425
C1CC2C(O2)CC1CC3=CC=C(C=C3)CC4CCC5C(C4)O5	PC-id_154107605	298.193	BMXCHURDZOSRNT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-113426
C1CC2C(O2)CC1C(CC3=CC=CC=C3)C4CCC5C(C4)O5	PC-id_153974281	298.193	YCSHPRPYTOQYIU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-113427
CC1(C(CCC2C1O2)C#CC#CC3CCC4C(C3(C)C)O4)C	PC-id_161715420	298.193	XHWGGKSSKSINSY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113428
CC(C)(C)OC1=CC=C(C2C1C2)C(C)(C)c1ccc(cc1)O	PC-id_163731459	298.193	KZXGWEMNXSIGBL-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-113429
Brc1c(CC2(CC3C(C3)C2)CN)cccc1F	PC-id_81513546	298.194	VEOXXFPTYNETDI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113430
Brc1c(CC2(CC3C(C3)C2)CN)ccc(F)c1	PC-id_80469874	298.194	IFJOAAJQPDGXLU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113431
Brc1c(CC2(CC3C(C3)C2)CN)cc(F)cc1	PC-id_80469833	298.194	ALFPSJDQCDLSGD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113432
Brc1cc(CC2(CC3C(C3)C2)CN)ccc1F	PC-id_80469442	298.194	CXAKRTHAWBDXAW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113433
Brc1cc(CC2(CC3C(C3)C2)CN)cc(F)c1	PC-id_80469542	298.194	AICXVAUUEHQNQW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113434
Brc1cc(CC2(CC3C(C3)C2)CN)c(F)cc1	PC-id_80469953	298.194	KGAWHQMJEDHEFI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113435
Brc1cc(C(N)C2C3C2CCCC3)ccc1F	PC-id_81631426	298.194	GUFSVRDJQAMHHB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-113436
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CNC(c1cc(Br)ccc1F)C1C2C1CCC2	PC-id_105011717	298.194	JSDAITYKUVCCLZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113440
CNC(c1cc(Br)ccc1F)C1CC2C(C1)C2	PC-id_113670934	298.194	VEUXHQVJLHIHPS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113441
CNC(c1cccc(c1F)Br)C1C2C1CCC2	PC-id_106647828	298.194	IJOLTHOITKCFFK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113442
CNC(c1cccc(c1F)Br)C1CC2C(C1)C2	PC-id_106648266	298.194	BVFHIJCOEYXVTL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113443
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NC(C1C2C1CCC2)Cc1ccc(c(c1)Br)F	PC-id_115818481	298.194	WQJMCGYBALRNHE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113449
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NC(C1CC2C(C1)C2)Cc1ccc(cc1F)Br	PC-id_115844651	298.194	OHGIMAMQWNQGDE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113457
NC(C1CC2C(C1)C2)Cc1cc(F)ccc1Br	PC-id_115843745	298.194	CBQDWEKARDREJB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113458
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Clc1cc(C(NC(=O)C2CC3C(C3)C2)C)ccc1Cl	PC-id_80471328	298.208	IYUBOFYKGGBDOO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113461
Clc1cc(CN(C(=O)C2CC3C(C3)C2)C)ccc1Cl	PC-id_80472463	298.208	MEPMNZYXHQXGPP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113462
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Clc1c(CCNC(=O)C2CC3C(C3)C2)ccc(Cl)c1	PC-id_80472344	298.208	SPSGSTRHDFRDLU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113464
Clc1c(CN(C(=O)C2CC3C(C3)C2)C)cccc1Cl	PC-id_80471537	298.208	WMISUQKXJLRSCN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113465
Clc1c(CN(C(=O)C2CC3C(C3)C2)C)ccc(Cl)c1	PC-id_80471474	298.208	ASRHGGLTOHENSL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113466
Clc1c(C(NC(=O)C2CC3C(C3)C2)C)ccc(Cl)c1	PC-id_80472613	298.208	HOVZQZZRVFDBSA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-113467
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CCCNC(c1occc1Br)C1C2C1CCC2	PC-id_113668077	298.219	ZQBKTIVVONKKKW-UHFFFAOYSA-N	00100010101010000000010000000000000000000000000000000000	22-01-113472
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CCNC(c1occc1Br)C1C2C1CCCC2	PC-id_115861255	298.219	ITQTXDDQTJSDHC-UHFFFAOYSA-N	00100000101010000000010000000000000000000000000000000000	22-01-113474
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BrCC1(CC2C(C2)C1)Cc1n(ncn1)C(C)C	PC-id_80473296	298.222	KLYVKPOCBVUXON-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-113476
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CCNC(c1c(Br)cnn1C)C1C2C1CCC2	PC-id_105054285	298.222	RQMTWHNLIWSABM-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-113483
CCNC(c1c(Br)cnn1C)C1CC2C(C1)C2	PC-id_105054016	298.222	AKTRLOUEOXTGQC-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-113484
CNC(c1c(Br)cnn1C)C1C2C1CCCC2	PC-id_113674907	298.222	LVQRYHSTCLCTGS-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-113485
NC(C1C2C1CCC2)Cc1n(C)nc(c1Br)C	PC-id_113669898	298.222	KNEUVTBZMJYYKP-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-113486
NC(c1c(Br)cnn1C(C)C)C1C2C1CCC2	PC-id_105042083	298.222	GBSMLEHJGKVQEZ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-113487
NC(c1c(Br)cnn1C(C)C)C1CC2C(C1)C2	PC-id_105042244	298.222	WUVXOXCLVYPBPS-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-113488
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C12(C)CN(CC1C2)C(=O)Cc1csc(c2ccccc2)n1	MCULE-6163725602,EMOLS-id_317908410	298.403	MDSRHDMUUGGLRB-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113914
C[C@]12C[C@@H]1CN(C(=O)Cc1csc(c3ccccc3)n1)C2	ZINC22_1772813647	298.403	MDSRHDMUUGGLRB-CXAGYDPISA-N	00100010100000110001110000000000000000000000000000000000	22-01-113915
C[C@@]12C[C@@H]1CN(C(=O)Cc1csc(c3ccccc3)n1)C2	ZINC22_1772813648	298.403	MDSRHDMUUGGLRB-DYVFJYSZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113916
C[C@@]12C[C@H]1CN(C(=O)Cc1csc(c3ccccc3)n1)C2	ZINC22_1772813649	298.403	MDSRHDMUUGGLRB-GUYCJALGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113917
C[C@]12C[C@H]1CN(C(=O)Cc1csc(c3ccccc3)n1)C2	ZINC22_1772813650	298.403	MDSRHDMUUGGLRB-SUMWQHHRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113918
Cc1nc(c2ccc(C(=O)N3CCC[C@@H]4C[C@@H]34)cc2)cs1	ZINC22_585082270	298.403	VDFHEHADOPCIIA-GDBMZVCRSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113919
Cc1nc(c2ccc(C(=O)N3CCC[C@H]4C[C@@H]34)cc2)cs1	ZINC22_585082271	298.403	VDFHEHADOPCIIA-GOEBONIOSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113920
Cc1nc(c2ccc(C(=O)N3CCC[C@H]4C[C@H]34)cc2)cs1	ZINC22_585082272	298.403	VDFHEHADOPCIIA-HOCLYGCPSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113921
Cc1nc(c2ccc(C(=O)N3CCC[C@@H]4C[C@H]34)cc2)cs1	ZINC22_585082273	298.403	VDFHEHADOPCIIA-ZBFHGGJFSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113922
Cc1scc(n1)c1ccc(cc1)C(=O)N1CCCC2C1C2	MCULE-4835723327,EMOLS-id_177241270	298.403	VDFHEHADOPCIIA-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-113923
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O=C(Cc1scc(n1)c1ccccc1)NC1CCC2C1C2	EMOLS-id_318779648	298.403	HTUHISQYAXJHDL-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-113926
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s1c(c2c(C(=O)N3C(C4C(C4)C3)CN)cccc2)ccc1	PC-id_77530494	298.403	DGTROZGDVWHDJC-UHFFFAOYSA-N	00100010100100110000110000000000000000000000000000000000	22-01-113928
s1cc(nc1C)c1ccc(NC(=O)C2CC3C(C3)C2)cc1	PC-id_80472046	298.403	IDWAECJTFNKFLE-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-113929
s1cc(nc1C)c1cc(NC(=O)C2CC3C(C3)C2)ccc1	PC-id_80470502	298.403	YUJAUSNHTAYFEO-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-113930
s1c(c(nc1C)C(=O)N1C2C(C2)CC1C)c1ccccc1	PC-id_77933065	298.403	DICCTTSVWDJWKD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113931
s1c(c(nc1C)C(=O)N1[C@@H]2[C@@H](C2)C[C@@H]1C)c1ccccc1	PC-id_70864543	298.403	DICCTTSVWDJWKD-GDLCADMTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-113932
CCc1[nH]nc(n1)C(NS(=O)(=O)C1C2C1CCCC2)C	EMOLS-id_319039472	298.404	GDBASJNMWRHJAE-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-113933
CCCn1nnc(c1)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_319244420	298.404	CRNRYEWQIOCJHR-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-113934
CCn1nc(c(n1)C)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_319216642	298.404	NELLBQWOSUOYNJ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-113935
CCn1nnc(c1CNS(=O)(=O)C1C2C1CCCC2)C	MCULE-8996867566,EMOLS-id_320228706	298.404	RPSHFZNNYUTGPR-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-113936
Cn1ncnc1CCCNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318885503	298.404	KLIGYPACBUTVDV-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-113937
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CC(=O)OC(C[Si]CCC1CCC2C(C1)O2)OC(=O)C	PC-id_87730900	298.407	YHBHLHDYYNFVJN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-113939
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CC1CCCN(C1c1ccc(cc1)C)C(=O)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_319779689	298.423	AMEWTUPEPMDOEX-KSFDXMMLSA-N	00100010000010110000110000000000000000000000000000000000	22-01-113976
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Clc1ncnc(N[C@@H]2[C@H]([C@@H]3[C@@H](C3)C2)CCO)c1[N+](=O)[O-]	PC-id_10685508	298.726	KCVVVFAXYZLFIT-JBDRJPRFSA-N	00100010000010100001010000000000000000000000000000000000	22-01-114095
C1CCC2(CC2C1)COc1c(cc(c(c1)F)C(=O)O)Cl	PC-id_90015945,SCHEMBL15535949	298.737	YOWBHRNLOYACSK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-114096
Clc1c(F)c(CNC(=O)C2NC3C(C3)(C2)CO)ccc1	PC-id_77980283	298.74	MDBPHHRLUIETBH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114097
Clc1c(F)c(CNC(=O)[C@H]2N[C@H]3[C@](C3)(C2)CO)ccc1	PC-id_71009532	298.74	MDBPHHRLUIETBH-WDMOLILDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114098
OCC12C[C@H](NC1C2)C(=O)NCc1cccc(c1F)Cl	PC-id_142420698	298.74	MDBPHHRLUIETBH-IFQILLTASA-N	00100010000000110000010000000000000000000000000000000000	22-01-114099
OC[C@]12C[C@H]1CCCN2C(=O)CCc1c(Cl)onc1C	EMOLS-id_320148032,MCULE-2311848988	298.765	NOGLJCBJTYLFFI-QMTHXVAHSA-N	00100000100010000001010000000000000000000000000000000000	22-01-114100
ClC(C1C2C1CCCC2)c1cc(OC)c(OC)cc1F	PC-id_81637663	298.78	NTBCABRJQVRCOG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-114101
Fc1cccc(c1COC1CCC(C2C1(C)O2)(C)C)Cl	PC-id_142631279	298.78	DDENZOYZYMOKIT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-114102
Clc1ccc(/C=C/S(=O)(=O)NC2C3C2CNC3)cc1	PC-id_43597423	298.788	WEEIYTHUYKTSRW-AATRIKPKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114103
Clc1ccc(C=CS(=O)(=O)NC2C3C2CNC3)cc1	PC-id_74884756	298.788	WEEIYTHUYKTSRW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114104
ClCc1nc(sc1)CCCCN1C(=O)C2C(C2)C1=O	PC-id_64836807	298.788	JYHNHYLWFBVSTJ-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-114105
ClCc1nc(sc1)CCN1C(=O)C2C(C2C1=O)(C)C	PC-id_64836433	298.788	FQQKGAYJTKCJDV-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-114106
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1ccc(s1)Cl	EMOLS-id_319209708	298.788	BAPFFYRWQXISJS-OQPBUACISA-N	00100000100110000000010000000000000000000000000000000000	22-01-114107
C1[C@H]2[C@@H]1CC(C2)Oc1ccc(cc1)Cc1ccccc1Cl	PC-id_134331236	298.807	ONCIJTLIGBULHG-BYICEURKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114108
Clc1ccccc1Cc1ccc(cc1)OC1CC2C(C1)C2	PC-id_122447873,SCHEMBL17969827	298.807	ONCIJTLIGBULHG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114109
Clc1ccccc1Cc1ccc(cc1)O[C@@H]1C[C@@H]2[C@H](C1)C2	SCHEMBL19954130	298.807	ONCIJTLIGBULHG-ALXJQNPVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114110
ClC(C1C2C1CCC2)c1ccc(Oc2ccccc2)cc1	PC-id_81638267	298.807	YYHLYULMZLDJSO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114111
ClC(C1CC2C(C2)C1)c1ccc(Oc2ccccc2)cc1	PC-id_80469128	298.807	OFVSYCIZWYTBIA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114112
NNC(c1c(Cl)cnn1CCOC)C1C2C1CCCC2	PC-id_105342394	298.812	NTNARDBDZKVQMX-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-114113
ClCC(C1CC2(OC2CC1)C)(C1CC2(OC2CC1)C)C	SCHEMBL14183523,PC-id_59720752	298.848	XJQOQMDHODNYGJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-114114
IC1=CC2C(C=C1)(O2)Br	SCHEMBL18893878	298.904	LKSUYHDZYCGDRZ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-114115
IC1=CC=CC2(C1O2)Br	SCHEMBL18893972	298.904	BVNQRRRQJMUTBJ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-114116
ClCC1(CC2C(C2)C1)CCCCCCCCCCCC	PC-id_80472941	298.934	DVUDJQQRFAXZNF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-114117
BrC1CC2(OC2CC1Br)C(=O)N	PC-id_13438617	298.96	MQMDTJSONDAZKR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-114118
C1[C@@H]2[C@H]1[C@H](N(C2)C(=O)C3=C(C=CS3)Br)C[NH-]	PC-id_161258811	298.986	VCGXUGJAIMEVQE-ACLDMZEESA-N	00100010100100000000010000000000000000000000000000000000	22-01-114119
OCCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262357395	299.003	YXWOTGQXFMSMDQ-NKWVEPMBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-114121
[Sn](CC1=CC2C(C2CC1)(C)C)(C)(C)C	PC-id_13967853	299.031	HSMAGWVNFMDBTD-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-114122
[Sn](CC1=C[C@@H]2C([C@@H]2CC1)(C)C)(C)(C)C	PC-id_21725898	299.031	HSMAGWVNFMDBTD-UKTYMXBTSA-N	00100000000011000000010000000000000000000000000000000000	22-01-114123
C1CCC2(C(C1)C2(F)F)COC3=CC(=C(C=C3)C(=O)[O-])F	PC-id_153973070	299.09	KMOZYFKKDFZCJS-UHFFFAOYSA-M	00100000000010110000010000000000000000000000000000000000	22-01-114124
CC(C)(C)OC(=O)NC12C(CC(C1C2C(=O)[O-])O)C(=O)[O-]	PC-id_154449023	299.102	VXBHNVRJULJLKW-UHFFFAOYSA-L	00100010000010000000010000000000000000000000000000000000	22-01-114125
CC(C)(C)OC(=O)N[C@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)[O-])O)C(=O)[O-]	PC-id_153955765	299.102	SEFPBWQNMZZSBF-JIUQRFSRSA-L	00100010000010000000010000000000000000000000000000000000	22-01-114126
C1CC2C(O2)CC1CCC3(C(CCC4C3O4)C(=O)[O-])Cl	PC-id_153854095	299.106	QRBSPJPOFRCNKK-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-114127
Brc1cc([N+](=O)[O-])c(NC2C3C2CNC3)nc1	PC-id_61228845	299.124	ANSOXPUYWJCANR-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-114128
Brc1c(NC2C3C2CNC3)ncc([N+](=O)[O-])c1	PC-id_79534537	299.124	VWLJSFAWCPMUKB-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-114129
Brc1cncc(c1NC1C2C1CNC2)[N+](=O)[O-]	PC-id_113825203	299.124	NQWJZGWITAKBNR-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-114130
CC1=C(C=CC(=C1)C(F)(F)F)NCC2CC3C(O3)C(=N2)N	PC-id_153642708	299.125	GIUVLWCYOQNYPZ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-114131
C#CCCC1(N=N1)CCC(=O)N2CCC3C2C3C(F)(F)F	EMOLS-id_317734580,MCULE-2682958032,PC-id_154782727	299.125	UTNYGJBGRAGBRX-UHFFFAOYSA-N	00110010000000000001010000000000000000000000000000000000	22-01-114132
Clc1c(C(=O)N2C(C3C(C3)C2)C(=O)[O-])ccc(Cl)c1	PC-id_73132087	299.129	PPJAJGGQNARTGA-UHFFFAOYSA-M	00100010000000110000010000000000000000000000000000000000	22-01-114133
Clc1c(C(=O)N2[C@H]([C@@H]3[C@@H](C3)C2)C(=O)[O-])ccc(Cl)c1	PC-id_11877559	299.129	PPJAJGGQNARTGA-DQBIJJQNSA-M	00100010000000110000010000000000000000000000000000000000	22-01-114134
Clc1c(C(=O)N2[C@H]([C@H]3[C@H](C3)C2)C(=O)[O-])ccc(Cl)c1	PC-id_11877561	299.129	PPJAJGGQNARTGA-KNBVPPQFSA-M	00100010000000110000010000000000000000000000000000000000	22-01-114135
Clc1c(C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)C(=O)[O-])ccc(Cl)c1	PC-id_25725018	299.129	PPJAJGGQNARTGA-CGYDSVCVSA-M	00100010000000110000010000000000000000000000000000000000	22-01-114136
CN1CC2C(C1)C2C[N-]CC3=CC(=CC=C3)OC(F)(F)F	PC-id_154380243	299.138	JFYOSHZZVGNROC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114137
Brc1cc(C(=O)NC2C3C2CNC3)cc(F)c1	PC-id_43594291	299.139	CEDZWPGUQYQBKP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114138
Brc1cc(C(=O)NC2C3C2CNC3)c(F)cc1	PC-id_43594275	299.139	STGOBINZLNNRSB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114139
Brc1cc(F)c(C(=O)NC2C3C2CNC3)cc1	PC-id_43594274	299.139	QGOXEHFCGGCHOM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114140
Brc1c(C(=O)NC2C3C2CNC3)cccc1F	PC-id_81511437	299.139	OJMWHCKDOVQUCZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114141
Brc1c(C(=O)NC2C3C2CNC3)ccc(F)c1	PC-id_43594333	299.139	YYEIGVBUZZHJJQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114142
Brc1c(C(=O)NC2C3C2CNC3)cc(F)cc1	PC-id_43594334	299.139	GTDRYLFRUJBNJV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114143
O=C(c1ccc(c(c1)Br)F)NC1C2C1CNC2	PC-id_107956016	299.139	FDNCOUAEFCVJLN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114145
O=C(c1cccc(c1F)Br)NC1C2C1CNC2	PC-id_107956017	299.139	RKQJWEAQXGWJPD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114146
O=C(c1c(F)cccc1Br)NC1C2C1CNC2	PC-id_113601302	299.139	GNBHBXUKAUGISX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114147
CC(C(=O)NC(CC1CC/C(=N/OC)/C2C1O2)C(=O)O)N	PC-id_164188907	299.148	JPZUUIHOBMUNOP-PXNMLYILSA-N	00100000000010000000010000000000000000000000000000000000	22-01-114148
COC1=CC=C(C=C1)C(=O)N2CCCC3C[C@@]3(C2=O)CC=C	PC-id_155131434	299.152	IDDBPZSIHTXVFK-IBYPIGCZSA-N	00100000000000110100010000000000000000000000000000000000	22-01-114149
Clc1c(nc(Cl)cc1)CN1C(=O)C2C(C2C1=O)(C)C	PC-id_64835095	299.153	WPUOQZCKNKDHDO-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-114150
O=C1N(Cc2ccc(nc2Cl)Cl)C(=O)C2C1C2(C)C	PC-id_113902623	299.153	KMZMCQCJRAFHKE-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-114151
O=C1N(Cc2cnc(cc2Cl)Cl)C(=O)C2C1C2(C)C	PC-id_116519242	299.153	JNFLIZOVIYVWNW-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-114152
Cc1onc(c1)CNC(=O)[C@]12CCC[C@H]1[C@@H]2Br	MCULE-2978343943,EMOLS-id_177319583	299.164	ZGIAETYSEIMTMH-JBLDHEPKSA-N	00100010100010000001010000000000000000000000000000000000	22-01-114153
O=C(N(Cc1ccc(o1)Br)C)[C@@H]1C[C@@H]2[C@H](N1)C2	EMOLS-id_318200284,MCULE-5662012796	299.164	JODDNNXOJSEYRX-QNSHHTMESA-N	00100010101000000000010000000000000000000000000000000000	22-01-114154
CCn1ncc(c(c1=O)Br)NC1C2C1CNC2	PC-id_114443913	299.167	DAUXKVOTIGOSLS-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-114155
N[C@@H]1C[C@H](C(=O)NCc2n[nH]cc2Br)[C@H]2C[C@@H]12	MCULE-8606240542,EMOLS-id_316762045,ZINC22_1650327882	299.167	PIZWROXNCDOCIA-VOQBNFLRSA-N	00100010100010000001010000000000000000000000000000000000	22-01-114156
N[C@H]1C[C@@H](C(=O)NCc2n[nH]cc2Br)[C@@H]2C[C@H]12	ZINC22_1857530439	299.167	PIZWROXNCDOCIA-AYHNYZOXSA-N	00100010100010000001010000000000000000000000000000000000	22-01-114157
CCC(C)C(=O)OCCNC(=O)OCC1CCC2C(C1)O2	PC-id_153307228	299.173	QFTQNLXHWHQFOV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-114158
CC(C)(C)OC(=O)N(CCCC1CCC2C(C1)O2)C(=O)O	PC-id_154014041	299.173	HNRLQCUAPANHBD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-114159
CCOC(=O)C1CCN(CCC2C1O2)C(=O)OC(C)(C)C	PC-id_163820071	299.173	NUPMQNWNEJHSJK-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-114160
CONC1CC(CCC1O)C(=O)OCC2CCC3C(C2)O3	PC-id_149320592	299.173	YAJRTFIELPUMES-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-114161
C1C[C@H]2C[C@]2(C1)CNC(=O)C3=NN(C=C3)CCN4C=CC=N4	PC-id_164631158	299.175	FSKYZPLPYJKBBX-XJKSGUPXSA-N	00100010100010000001010000000000000000000000000000000000	22-01-114162
Brc1c(CC2(CC3C(C3)C2)CO)cccc1F	PC-id_81515654	299.179	ZRCRQNBQVJEGRK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114163
Brc1c(CC2(CC3C(C3)C2)CO)ccc(F)c1	PC-id_80472876	299.179	JUBIEWKJGMLCBK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114164
Brc1c(CC2(CC3C(C3)C2)CO)cc(F)cc1	PC-id_80472875	299.179	CZIDTSBZZANZPP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114165
Brc1cc(CC2(CC3C(C3)C2)CO)ccc1F	PC-id_80472936	299.179	ISKFGOHJKNENAH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114166
Brc1cc(CC2(CC3C(C3)C2)CO)cc(F)c1	PC-id_80472993	299.179	NYXVDBPKWATTGW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114167
Brc1cc(CC2(CC3C(C3)C2)CO)c(F)cc1	PC-id_80472651	299.179	KHKUZRLRZKYKRT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114168
Brc1ccc(c(c1)CC1(O)CCCC2C1C2)F	PC-id_112740398	299.179	BZZNPMQALDOQBB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-114169
Brc1cc(C(O)C2C3C2CCCC3)ccc1F	PC-id_81644221	299.179	HEANBOKWDGNQMA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-114170
Brc1cc(F)c(CC2(CC3C(C3)C2)CO)cc1	PC-id_80472850	299.179	NTOGLHMTFLOIML-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114171
BrC(C1C2C1CCC2)c1cc(F)c(OC)cc1	PC-id_81637661	299.179	BFUDARUOBVEKQC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114172
BrC(C1C2C1CCC2)c1c(F)cc(OC)cc1	PC-id_81638322	299.179	GJMYKWQSVYRMJI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114173
BrC(C1C2C1CCC2)c1c(OC)ccc(F)c1	PC-id_81638316	299.179	BUWVQACFADKLHI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114174
BrC(C1CC2C(C2)C1)c1cc(F)c(OC)cc1	PC-id_80469669	299.179	RKJGFWZPJFSKIT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114175
BrC(C1CC2C(C2)C1)c1c(F)cc(OC)cc1	PC-id_80469266	299.179	VJJKEYLLXAHNDK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114176
BrC(C1CC2C(C2)C1)c1c(OC)ccc(F)c1	PC-id_80469322	299.179	PRYDAGLUCAWVSI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114177
Fc1cc(cc(c1)Br)CC(C1C2C1CCC2)O	PC-id_115822677	299.179	GUZUBMQTHISSRE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114178
Fc1cc(cc(c1)Br)CC(C1CC2C(C1)C2)O	PC-id_113664059	299.179	HQKKHRPZYOZCIH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114179
OC(C1C2C1CCC2)Cc1cc(Br)ccc1F	PC-id_115784853	299.179	VCGPETWDPSYJIB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114180
OC(C1C2C1CCC2)Cc1ccc(cc1Br)F	PC-id_113659612	299.179	OIZVLNUODGMDGB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114181
OC(C1C2C1CCC2)Cc1cccc(c1Br)F	PC-id_113664246	299.179	XKAMAJXYYDPBBJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114182
OC(C1C2C1CCC2)Cc1ccc(c(c1)Br)F	PC-id_115779588	299.179	LKVIWYTYYAUYAU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114183
OC(C1C2C1CCC2)Cc1ccc(cc1F)Br	PC-id_113659782	299.179	MVDVFSVRUSTDNK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114184
OC(C1C2C1CCC2)Cc1cc(F)ccc1Br	PC-id_115787451	299.179	SEPIDXMUCDGAHF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114185
OC(C1CC2C(C1)C2)Cc1cc(Br)ccc1F	PC-id_115784883	299.179	GSVRSOLFXPLANI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114186
OC(C1CC2C(C1)C2)Cc1cccc(c1Br)F	PC-id_113664247	299.179	QURYMGOUVPLAKC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114187
OC(C1CC2C(C1)C2)Cc1ccc(c(c1)Br)F	PC-id_115779623	299.179	WMKCWQQBDTUECB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114188
OC(C1CC2C(C1)C2)Cc1ccc(cc1Br)F	PC-id_115786824	299.179	DYJVEBKYXSEJFA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114189
OC(C1CC2C(C1)C2)Cc1ccc(cc1F)Br	PC-id_113659785	299.179	WBWIKDVJCHITHU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114190
OC(C1CC2C(C1)C2)Cc1cc(F)ccc1Br	PC-id_115787489	299.179	RYOIENWQVYTENH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114191
OC(c1cc(Br)ccc1F)C1C2C1CCCC2	PC-id_115820761	299.179	MBEIRJJOEDEKOV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-114192
OC(c1cccc(c1F)Br)C1C2C1CCCC2	PC-id_106648462	299.179	RFPNZHFPPVWDKH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-114193
Brc1cnc(c(c1)F)CNC1CCCC2C1C2	EMOLS-id_318357858,MCULE-6461119391	299.182	KWTVQXOMRQYKLC-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-114194
NNC(c1cc(Br)ccc1F)C1C2C1CCC2	PC-id_105323171	299.182	UFXWKAMPGOWKMZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114195
NNC(c1cc(Br)ccc1F)C1CC2C(C1)C2	PC-id_105323110	299.182	PSAZZRYDEFXJBU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114196
NNC(c1cccc(c1F)Br)C1C2C1CCC2	PC-id_106649869	299.182	GTSAEHBEIKJKIV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114197
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C[C@]12C[C@H]1CN(C(=O)c1ccc(N3CC(=O)NC3=O)cc1)C2	ZINC22_1772811163	299.324	QJBFXVZWVIHVOM-MEDUHNTESA-N	00100010000000110001110000000000000000000000000000000000	22-01-114382
C[C@@]12C[C@H]1CN(C(=O)c1ccc(N3CC(=O)NC3=O)cc1)C2	ZINC22_1772811165	299.324	QJBFXVZWVIHVOM-ZBEGNZNMSA-N	00100010000000110001110000000000000000000000000000000000	22-01-114383
CC1(C2C1CN(C2)C(=O)c1ccc(cc1)c1noc(=O)[nH]1)C	PC-id_137244056,MCULE-9169747489,EMOLS-id_101005297	299.324	OXFXNBGIYQYVIU-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-114384
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OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)c1nnco1	MCULE-2930211790,EMOLS-id_319988993	299.324	ADYZOWQLTXJNHO-CZUORRHYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-114395
OC[C@]12C[C@H]1CCCN2C(=O)c1coc(n1)c1cccnc1	EMOLS-id_318904714	299.324	JQGHFOOPBQOWOD-MLGOLLRUSA-N	00100000100010101001110000000000000000000000000000000000	22-01-114396
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C1C2C(C2CO)CN1C(=O)Cc1ccc(cc1)n1cnnn1	PC-id_86730459,SCHEMBL14785863	299.328	ZCDBGUJFQCOMNJ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-114401
Cc1ccc(n2[nH]nnc2=N[C@@H]2C[C@H]3C[C@@]3(C(=O)O)C2)cc1	ZINC22_910482437	299.328	SSUYBUYLXXTTMB-FIXISWKDSA-N	00100010100010110001110000000000000000000000000000000000	22-01-114402
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Cc1cc(C)nc(n2[nH]c(C(=O)N3C[C@H]4C[C@@H]4C3)cc2=O)n1	ZINC22_912983475	299.328	BEPWVHQJDIZKBY-GHMZBOCLSA-N	00100010100000100001110000000000000000000000000000000000	22-01-114404
Cc1cc(C)nc(n2[nH]c(C(=O)N3C[C@H]4C[C@H]4C3)cc2=O)n1	ZINC22_912983476	299.328	BEPWVHQJDIZKBY-PHIMTYICSA-N	00100010100000100001110000000000000000000000000000000000	22-01-114405
Cc1cc(C)nc(n2[nH]c(C(=O)N3C[C@@H]4C[C@H]4C3)cc2=O)n1	ZINC22_912983477	299.328	BEPWVHQJDIZKBY-QWRGUYRKSA-N	00100010100000100001110000000000000000000000000000000000	22-01-114406
CCn1ncc(c1)Oc1cnc(cn1)C(=O)N1CC2C(C1)C2	EMOLS-id_319277961	299.328	AJNNLIPQRMFTLD-UHFFFAOYSA-N	00100010100000100001010000000000000000000000000000000000	22-01-114407
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)n1cnnn1	EMOLS-id_319169428	299.328	YRYMYPYKHPSFBT-IUODEOHRSA-N	00100000100010110001110000000000000000000000000000000000	22-01-114408
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)n1cnnn1	EMOLS-id_319568839	299.328	RFNIKRJHNMHGAD-IUODEOHRSA-N	00100000100010110001110000000000000000000000000000000000	22-01-114409
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OC[C@]12C[C@H]1CCCN2C(=O)c1nnn(c1)c1cccnc1	EMOLS-id_319008505	299.328	YCIRLXSMRBXAFG-IAQYHMDHSA-N	00100000100010101001110000000000000000000000000000000000	22-01-114412
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CCNC(c1ccccc1OC(F)(F)F)C1C2C1CCC2	PC-id_115850889	299.331	NYUHNJZUAWFLLO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114415
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CNC(C1C2C1CCC2)Cc1ccc(cc1)OC(F)(F)F	PC-id_115843407	299.331	UYJCMSGKTAMNCW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114418
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CNC(c1ccccc1OC(F)(F)F)C1C2C1CCCC2	PC-id_115850804	299.331	MUBGXWPBZZZCIT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-114421
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FC(CCOC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)(F)F	SCHEMBL17220110	299.331	QSSLCGHFBRMVCS-FICVDOATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-114424
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FC(F)(F)c1cc(C(C(O)C2CC3C(C3)C2)CN)ccc1	PC-id_80473878	299.331	ZRXJHBHDMKYYTD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114426
FC(F)(F)Oc1ccc(CC2(CC3C(C3)C2)CNC)cc1	PC-id_80470338	299.331	YLNUYZZUMTXBHQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-114427
NC(C1C2C1CCCC2)Cc1ccc(cc1)OC(F)(F)F	PC-id_115843481	299.331	JYBFTZCUIKSDTL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-114428
C1C(CC(C2C1C2(F)F)O)NC(=S)Oc1ccccc1	PC-id_89642243	299.336	KXTSIUNDBLHCDZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-114429
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C[C@]12CCN(C(=O)c3snnc3C3CC3)C[C@H]1C2(F)F	ZINC22_335950824	299.34	FZLCVGOPLFSXMA-PELKAZGASA-N	00100000100010000001110000000000000000000000000000000000	22-01-114431
C[C@@]12CCN(C(=O)c3snnc3C3CC3)C[C@H]1C2(F)F	ZINC22_335950826	299.34	FZLCVGOPLFSXMA-PRHODGIISA-N	00100000100010000001110000000000000000000000000000000000	22-01-114432
C[C@@]12CCN(C(=O)c3snnc3C3CC3)C[C@@H]1C2(F)F	ZINC22_335950828	299.34	FZLCVGOPLFSXMA-QPUJVOFHSA-N	00100000100010000001110000000000000000000000000000000000	22-01-114433
C[C@]12CCN(C(=O)c3snnc3C3CC3)C[C@@H]1C2(F)F	ZINC22_335950830	299.34	FZLCVGOPLFSXMA-UFBFGSQYSA-N	00100000100010000001110000000000000000000000000000000000	22-01-114434
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c1(c[nH]nc1c1cccc(F)c1)C(=O)N1CC2C(C2)(CC)C1	EMOLS-id_317911239,MCULE-9975559823	299.343	FJNUUKGDOMTMDX-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-114436
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CC[C@@]12C[C@@H]1CN(C(=O)c1c[nH]nc1c1cccc(F)c1)C2	ZINC22_1772818445	299.343	FJNUUKGDOMTMDX-PXAZEXFGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-114438
CC[C@@]12C[C@H]1CN(C(=O)c1c[nH]nc1c1cccc(F)c1)C2	ZINC22_1772818446	299.343	FJNUUKGDOMTMDX-SJCJKPOMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-114439
CC[C@]12C[C@@H]1CN(C(=O)c1c[nH]nc1c1cccc(F)c1)C2	ZINC22_1772818447	299.343	FJNUUKGDOMTMDX-SJKOYZFVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-114440
CC[C@]12C[C@H]1CN(C(=O)c1c[nH]nc1c1cccc(F)c1)C2	ZINC22_1772818448	299.343	FJNUUKGDOMTMDX-YVEFUNNKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-114441
CCOOOSC1([N+]#[C-])CC2C(C1)(C2)C(=C)C(=O)OC	PC-id_58689521,SCHEMBL13108987	299.343	SAYZHTIIXWZSEU-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-114442
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Fc1ccc(cc1)c1cc(nn1C)C(=O)NC1CCC2C1C2	EMOLS-id_318694849	299.343	KDBCFCQJQSZVRH-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-114444
Fc1cccc(c1)c1nn(cc1C(=O)NC1CCC2C1C2)C	EMOLS-id_318713789	299.343	ZJFPNSZZRPXWID-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-114445
Fc1ccc(c(c1)C)n1ccc(n1)C(=O)NC1CCC2C1C2	EMOLS-id_318618403	299.343	LQZSQHUZDXIRQO-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-114446
Fc1ccc(c(c1)C(=O)NC1CCCC2C1C2)n1cccn1	EMOLS-id_318418554	299.343	LPKCUPRVGFHYOI-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-114447
Fc1ccc(c(c1)C(=O)NC1CCC[C@H]2[C@@H]1C2)n1cccn1	EMOLS-id_318418298	299.343	LPKCUPRVGFHYOI-JZHZUCMVSA-N	00100000100010110001110000000000000000000000000000000000	22-01-114448
Fc1ccc(cc1)n1cc(c(n1)C(=O)NC1CCC2C1C2)C	EMOLS-id_318479045	299.343	ZSNIAJWLLIFHFR-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-114449
Fc1cccc(c1)n1ccc(n1)C(=O)NC1CCCC2C1C2	EMOLS-id_318551047	299.343	ZDINIHWPQGLQCW-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-114450
Fc1ccc(cc1)n1ccc(n1)C(=O)NC1CCCC2C1C2	EMOLS-id_318603271	299.343	ATLNFEWBOYWPBR-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-114451
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Fc1ccc(cc1)n1cncc1C(=O)NC1CCCC2C1C2	EMOLS-id_318560400	299.343	QJTUWQYPIDKWTN-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-114454
Fc1ccc(cc1)n1cncc1C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318560144	299.343	QJTUWQYPIDKWTN-IFVPNFOKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-114455
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O1C2(C1(CCCC2(C)C)C)C=CC(=CC#C)C(=O)OCC=C	PC-id_72957143	300.392	YRROPNQNAOUQCC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-115298
O=C1C(=CC2CCC3C(C2)O3)CCC1=CC1CCC2C(C1)O2	PC-id_140220574	300.392	ASPKRSDVUOROBU-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-115299
O(CC1CC2C(C2C=C1C)(C)C)C(=O)COc1ccccc1	PC-id_5010888	300.392	MXWPTMTYXIKUFH-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-115300
O=C(COc1ccccc1)OC[C@H]1C[C@H]2[C@@H](C=C1C)C2(C)C	CoCoCo_1773863	300.392	MXWPTMTYXIKUFH-OIISXLGYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-115301
O=C(COc1ccccc1)OC[C@@H]1C[C@H]2[C@@H](C=C1C)C2(C)C	CoCoCo_1773864	300.392	MXWPTMTYXIKUFH-UAGQMJEPSA-N	00100000000011110000010000000000000000000000000000000000	22-01-115302
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O=C(COc1ccccc1)OC[C@H]1C[C@@H]2[C@H](C=C1C)C2(C)C	CoCoCo_1773866	300.392	MXWPTMTYXIKUFH-HYVNUMGLSA-N	00100000000011110000010000000000000000000000000000000000	22-01-115304
O=C(OC1[C@@H](O)C(C2C1(C2)C(C)C)C)/C=C/c1ccccc1	PC-id_139953882	300.392	FWZWGQFFDMNKJY-KZPTYATISA-N	00100010000010110000010000000000000000000000000000000000	22-01-115305
COC(C(NC1C2C1CN(C2)C(=O)OC(C)(C)C)C)OC	PC-id_107238550	300.394	WZABISPTGNYQTD-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-115306
C12(CCCCC1C2C(=O)NN=Cc1ccc(cc1)OCC)C	MCULE-8749079978,PC-id_3954752	300.395	VYPMNOXFJCTADC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115307
C12(CCCCC1C2C(=O)NN=C(C)c1ccc(cc1)OC)C	MCULE-8946809246,PC-id_3807094	300.395	FVRXWYSPGILYJJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115308
CC1(C2(CC2CO1)NC(=O)Nc1ccc(cc1)C1CCC1)C	PC-id_136555058,MCULE-8742972137,EMOLS-id_316986896	300.395	BJIDWOKGWGKCCI-UHFFFAOYSA-N	00101010000000110000110000000000000000000000000000000000	22-01-115309
Cc1ccccc1[C@@H]1CN(C[C@H]2[C@@H]3CNC[C@H]23)C[C@H]1C(=O)O	MCULE-1851819336,EMOLS-id_44740602,ZINC22_102767032	300.395	FPRSQWYDECDBSL-DMRKSPOLSA-N	00100010000000110000110000000000000000000000000000000000	22-01-115310
Cc1ccccc1[C@H]1CN(C[C@@H]2[C@H]3CNC[C@@H]23)C[C@@H]1C(=O)O	ZINC22_1565528309	300.395	FPRSQWYDECDBSL-ALYAQQCSSA-N	00100010000000110000110000000000000000000000000000000000	22-01-115311
Cc1ccc(cc1)OC1CCN(CC1)C(=O)[C@@H]1C[C@@H]2[C@H](N1)C2	EMOLS-id_318363856,MCULE-9488319952	300.395	YGEVVWFNXMTRCO-XYPHTWIQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115312
Cc1cc(c(cc1)OCC1(CC1)NC(=O)C1[C@H]2[C@@H]1CNC2)C	PC-id_134398400	300.395	ODKFUNMRWBMTTG-MZBDJJRSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-115313
Cc1cc(CCC(=O)N2CCC[C@H]3[C@@]2(C3)C(=O)N)cc(c1)C	EMOLS-id_320040554,MCULE-5663898191	300.395	UIQOPHQUOMCZKW-QAPCUYQASA-N	00100000000010110000010000000000000000000000000000000000	22-01-115314
Cc1ccc(OC2CCN(CC2)C(=O)[C@@H]2[C@H]3CNC[C@@H]23)cc1	EMOLS-id_44446693,ZINC22_102751536,MCULE-8076521358	300.395	KZBXXPDTCYWBFS-FVQHAEBGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115315
Cc1cc(C(=O)N2CC[C@@H]3C[C@@H]3C2)ccc1N1CCOCC1	ZINC22_619339942	300.395	VDVOSNDZFJOTEN-GDBMZVCRSA-N	00100000000010110001110000000000000000000000000000000000	22-01-115316
Cc1cc(C(=O)N2CC[C@H]3C[C@@H]3C2)ccc1N1CCOCC1	ZINC22_619339943	300.395	VDVOSNDZFJOTEN-GOEBONIOSA-N	00100000000010110001110000000000000000000000000000000000	22-01-115317
Cc1cc(C(=O)N2CC[C@H]3C[C@H]3C2)ccc1N1CCOCC1	ZINC22_619339944	300.395	VDVOSNDZFJOTEN-HOCLYGCPSA-N	00100000000010110001110000000000000000000000000000000000	22-01-115318
Cc1cc(C(=O)N2CC[C@@H]3C[C@H]3C2)ccc1N1CCOCC1	ZINC22_619339946	300.395	VDVOSNDZFJOTEN-ZBFHGGJFSA-N	00100000000010110001110000000000000000000000000000000000	22-01-115319
CC1(C)OC[C@@H]2C[C@]12NC(=O)Nc1ccc(C2CCC2)cc1	ZINC22_529084358	300.395	BJIDWOKGWGKCCI-KBXCAEBGSA-N	00101010000000110000110000000000000000000000000000000000	22-01-115320
CC1(C)OC[C@H]2C[C@@]12NC(=O)Nc1ccc(C2CCC2)cc1	ZINC22_529084359	300.395	BJIDWOKGWGKCCI-KDOFPFPSSA-N	00101010000000110000110000000000000000000000000000000000	22-01-115321
CC1(C)OC[C@@H]2C[C@@]12NC(=O)Nc1ccc(C2CCC2)cc1	ZINC22_529084360	300.395	BJIDWOKGWGKCCI-KSSFIOAISA-N	00101010000000110000110000000000000000000000000000000000	22-01-115322
CC1(C)OC[C@H]2C[C@]12NC(=O)Nc1ccc(C2CCC2)cc1	ZINC22_529084361	300.395	BJIDWOKGWGKCCI-RDTXWAMCSA-N	00101010000000110000110000000000000000000000000000000000	22-01-115323
CCc1ccc(cc1)C1OCCN(C1)C(=O)[C@@H]1C[C@@H]2[C@H](N1)C2	EMOLS-id_318309859,MCULE-9478736048	300.395	ZWNFMGPDDPVPBX-VPSFDDGASA-N	00100010000010110001110000000000000000000000000000000000	22-01-115324
CC=CC(=CC=N)CNC(=O)OCC1C2C1CCC#CCC2	PC-id_90058429	300.395	WVPMXUHUHVEEIE-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-115325
C/C=CC(=C/C=N)CNC(=O)OCC1C2C1CCC#CCC2	SCHEMBL15591714	300.395	WVPMXUHUHVEEIE-XXIXKHGXSA-N	00100000000000000110010000000000000000000000000000000000	22-01-115326
CCCCC(=O)[C@H]1[C@@H]2N1C(N(C2=O)Cc1ccccc1)(C)C	PC-id_101514447	300.395	PNJIGRRDRZIIML-GLBCWIETSA-N	00100010000000110001010000000000000000000000000000000000	22-01-115327
CCOc1ccc(cc1)C1CCCN1C(=O)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_320125363,MCULE-4402802285	300.395	PNCFUWKQKYKEJW-DRQBJCJOSA-N	00100010000000110000110000000000000000000000000000000000	22-01-115328
CCOc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561887	300.395	VYPMNOXFJCTADC-LCAMZSFRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115329
CCOc1ccc(cc1)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561888	300.395	VYPMNOXFJCTADC-TYXLAQIESA-N	00100000000010110000010000000000000000000000000000000000	22-01-115330
CCOc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561889	300.395	VYPMNOXFJCTADC-PNOOQRCFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115331
CCOc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561890	300.395	VYPMNOXFJCTADC-RMTBMTBPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115332
CCOc1ccc(cc1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561891	300.395	VYPMNOXFJCTADC-AAPRONAGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115333
CCOc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561892	300.395	VYPMNOXFJCTADC-VQCABZGESA-N	00100000000010110000010000000000000000000000000000000000	22-01-115334
CCOc1ccc(cc1)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561894	300.395	VYPMNOXFJCTADC-PSSRRWJFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115335
CCOc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98075309	300.395	VYPMNOXFJCTADC-FRFQYPMXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115336
CCOc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98075313	300.395	VYPMNOXFJCTADC-UINYBQCKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115337
CCOc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	PC-id_98719847,CoCoCo_6561893	300.395	VYPMNOXFJCTADC-IYAAIHENSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115338
CCOc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98828350	300.395	VYPMNOXFJCTADC-UPQLOTOISA-N	00100000000010110000010000000000000000000000000000000000	22-01-115339
CCOc1ccc(/C=N/NC(=O)C2C3CCCCC23C)cc1	EMOLS-id_46446714,PC-id_9641689	300.395	VYPMNOXFJCTADC-XDHOZWIPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115340
COc1ccccc1C1CCCCN1C(=O)[C@@H]1[C@@H]2[C@H]1CNC2	MCULE-7087087227,EMOLS-id_319883406	300.395	MNUBUQJREWRJEP-WZRVXBBBSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115341
COc1cccc(c1)C1CCN(CC1)C(=O)[C@@H]1C[C@@H]2[C@H](N1)C2	MCULE-2573093924,EMOLS-id_318220913	300.395	UMJPSXZWZAMFJC-OIISXLGYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115342
COc1cccc(c1)C1CCN(CC1)C(=O)[C@@H]1[C@@H]2[C@H]1CNC2	MCULE-7112158811,EMOLS-id_319941575	300.395	ANWPLVUJWNESKU-FVQHAEBGSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115343
COc1ccccc1C1CNCCN1C(=O)C1C2C1CCC2	PC-id_120734526	300.395	MPTIMTBLOGMZGP-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-115344
COc1ccc(cc1CNC(=O)[C@@H]1C[C@@H]([C@@H]2[C@H]1C2)N)C1CC1	EMOLS-id_316777144,MCULE-7598128136	300.395	ZACJATJYPDXUTP-QXSJWSMHSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115345
COc1ccc(cc1)/C(=N/NC(=O)C1C2CCCCC12C)/C	TIMTEC157844,EMOLS-id_46400237,PC-id_5928223	300.395	FVRXWYSPGILYJJ-XDHOZWIPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115346
COc1ccc(cc1)/C(=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6563048	300.395	FVRXWYSPGILYJJ-PSSRRWJFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115347
COc1ccc(cc1)/C(=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2)/C	CoCoCo_6563049,PC-id_7270995	300.395	FVRXWYSPGILYJJ-TYXLAQIESA-N	00100000000010110000010000000000000000000000000000000000	22-01-115348
COc1ccc(cc1)/C(=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2)/C	CoCoCo_6563050	300.395	FVRXWYSPGILYJJ-PNOOQRCFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115349
COc1ccc(cc1)/C(=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2)/C	CoCoCo_6563051,PC-id_7270994	300.395	FVRXWYSPGILYJJ-RMTBMTBPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115350
COc1ccc(cc1)/C(=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2)/C	CoCoCo_6563052	300.395	FVRXWYSPGILYJJ-AAPRONAGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115351
COc1ccc(cc1)/C(=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6563053	300.395	FVRXWYSPGILYJJ-VQCABZGESA-N	00100000000010110000010000000000000000000000000000000000	22-01-115352
COc1ccc(cc1)/C(=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6563054	300.395	FVRXWYSPGILYJJ-LCAMZSFRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115353
COc1ccc(cc1)/C(=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6563055,PC-id_98232555	300.395	FVRXWYSPGILYJJ-IYAAIHENSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115354
COc1ccc(cc1)/C(=NNC(=O)[C@@H]1[C@@H]2[C@]1(C)CCCC2)/C	PC-id_98068932	300.395	FVRXWYSPGILYJJ-FRFQYPMXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115355
COc1ccc(cc1)/C(=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2)/C	PC-id_98068933	300.395	FVRXWYSPGILYJJ-UINYBQCKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115356
COc1ccc(cc1)/C(=NNC(=O)[C@@H]1[C@H]2[C@@]1(C)CCCC2)/C	PC-id_98825835	300.395	FVRXWYSPGILYJJ-UPQLOTOISA-N	00100000000010110000010000000000000000000000000000000000	22-01-115357
COc1ccccc1N1CCC(C1)NC(=O)C1C2C1CCC2	MCULE-5000575648,EMOLS-id_45666437,PC-id_71921034	300.395	GORHMGSHQKLWJA-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115358
COc1ccccc1N1CCC(C1=O)NC1CCCC2C1C2	EMOLS-id_318304397,MCULE-8699103402	300.395	BPRSMSLWJPDOBF-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115359
COc1ccc(cc1)N1CC(CC1=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_319869620	300.395	WEKVHQKMGUSPIX-BKEMPNMISA-N	00100010000010110000110000000000000000000000000000000000	22-01-115360
COc1cc(ccc1N1CCCC1=O)NC1CCC[C@@H]2[C@H]1C2	MCULE-3405966226,EMOLS-id_317993159	300.395	WRMGMECKFKZOPH-DJIKBVBFSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115361
COc1ccccc1N1CCC(C1=O)NC1CCC[C@@H]2[C@H]1C2	MCULE-5182471612,EMOLS-id_318308236	300.395	BPRSMSLWJPDOBF-ZUJMUWTESA-N	00100010000010110000110000000000000000000000000000000000	22-01-115362
COc1ccc(cc1)N1CC(CC1=O)NC1CCC[C@@H]2[C@H]1C2	MCULE-7026069743,EMOLS-id_318030248	300.395	WEKVHQKMGUSPIX-UIMIYHRKSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115363
COc1ccccc1N1CC[C@H](C1)NC(=O)C1[C@@H]2[C@H]1CCC2	PC-id_100876121	300.395	GORHMGSHQKLWJA-CXLVCKKSSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115364
COc1ccccc1N1CC[C@@H](C1)NC(=O)C1[C@@H]2[C@H]1CCC2	PC-id_100876123	300.395	GORHMGSHQKLWJA-NRMMMPIQSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115365
COc1ccccc1N1CC[C@H](NC(=O)C2[C@@H]3CCC[C@@H]23)C1	PC-id_100893953,ZINC22_230096982	300.395	GORHMGSHQKLWJA-BFHYXJOUSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115366
COc1ccccc1N1CC[C@H](NC(=O)C2[C@H]3CCC[C@H]23)C1	ZINC22_101607787,PC-id_98223580	300.395	GORHMGSHQKLWJA-IHRRRGAJSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115367
COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2[C@H]3CCC[C@@H]23)C1	ZINC22_240534577	300.395	GORHMGSHQKLWJA-SZOQZIPDSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115368
COc1ccccc1N1CC[C@@H](NC(=O)[C@@H]2[C@H]3CCC[C@@H]23)C1	ZINC22_240534578	300.395	GORHMGSHQKLWJA-WVZRYYJFSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115369
NC1C2C1CN(C2)C(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL3622658,PC-id_11652351	300.395	AMVCNMFDOAPFEG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-115370
NCC1(c2ccccc2)CCN(C(=O)[C@@H]2[C@H]3COC[C@@H]23)CC1	ZINC22_1615554917,MCULE-9127573681,EMOLS-id_316783294	300.395	NQKYLUWCBGDLBC-ZSHCYNCHSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115371
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)C(C)(C)C	EMOLS-id_319915539,MCULE-1078911790	300.395	NXIRRHGTFPRGGL-KDOFPFPSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115372
NC(=O)CCN(c1cccc(c1)C)C(=O)CC1CCC2C1C2	EMOLS-id_318168969	300.395	JMRQUIOTNVKKES-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115373
OC1CCN(CC1)c1ccccc1NC(=O)C1C2C1CCC2	PC-id_111778975,EMOLS-id_111662782	300.395	XIUUNBSPDJEONG-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115374
OC1CCN(CC1)C(C(=O)N1CC2C(C1)C2)c1ccccc1	EMOLS-id_318216036	300.395	JAHXKQJNVLENTA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115375
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)N1CCCC1	EMOLS-id_318872134	300.395	IJFHYEPDWKTWQU-CRAIPNDOSA-N	00100010000010110000110000000000000000000000000000000000	22-01-115376
BrC(C1C2C1CCC2)Cc1c(F)cc(F)cc1	PC-id_81636260	301.17	UGFYYKBZTUYXDZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115733
O=C(C1C2C1CCC2)N1CCC(CC1)(O)Cc1ccccn1	EMOLS-id_316557456	300.395	XVXFBTNITQUCMR-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-115377
O=C(C1C2[C@H]1CNC2)NC1(CC1)COc1ccc(cc1C)C	SCHEMBL19724729	300.395	ODKFUNMRWBMTTG-VQCLRJIVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-115378
OC(C1CCC1)(C(=O)NCC1C2C1CNC2)c1ccccc1	PC-id_77596617	300.395	AHUFJFVBLVNFDO-UHFFFAOYSA-N	00101010000000110000010000000000000000000000000000000000	22-01-115379
OC(C1CCC1)(C(=O)NCC1C2[C@@H]1CNC2)c1ccccc1	PC-id_69059864	300.395	AHUFJFVBLVNFDO-JFPDKAJLSA-N	00101010000000110000010000000000000000000000000000000000	22-01-115380
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C[C@H]1[C@@H]2[C@H]1[C@@H](CC2)NC3=NC(=NC=C3Br)Cl	PC-id_155232029	300.998	OSJFIQBUCVMGFZ-LWIVVEGESA-N	00100010000010100001010000000000000000000000000000000000	22-01-115702
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C1C[C@@H]2C[C@@]2(N(C1)S(=O)(=O)C3=CC(=CC=C3)Cl)CO	MCULE-9270824417,EMOLS-id_317760721,PC-id_154807329	301.054	FOQXQHYFBPQGMS-ZWNOBZJWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115706
CS(=O)(=O)c1nc(cc(n1)Cl)NC1C2C1CCCC2	PC-id_164130115	301.065	YMZPJANUJXUUSV-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-115707
C1[C@H]2[C@@H]([C@H]2[C@]([C@@H]1OCC3=CC(=C(C=C3)F)F)(N)F)C(=O)O	PC-id_154946208	301.093	KUPZODAFZMLWEZ-XDJQCPJISA-N	00100010000010110000010000000000000000000000000000000000	22-01-115708
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Fc1ccc(c(c1C(=O)C1CC2C(C1)C2)F)Br	PC-id_106944215	301.127	RZDVHJXEIJMVOV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115716
Ic1cncnc1NC1CC2C(C1)C2	EMOLS-id_107439475	301.127	GSWSXCIXSMLDLW-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-115717
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C[C@H](CC(=O)[C@H]1CC2CC2CN1)C3=CC=C(C=C3)C(=O)OC	PC-id_160813755	301.168	SEQDLYGTSDIXRR-JGVXXWTJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115727
CC(=O)[C@@H]1C2[C@@H]([C@]2(C)COCc2ccccc2)CN1C(=O)C	PC-id_163539881	301.168	FAFAODRPGQQQFW-WOPUZOFWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-115728
BrC(C1C2C1CCC2)c1cc(c(F)cc1F)C	PC-id_81636521	301.17	PYRFVXIPGZURKV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115729
BrC(C1C2C1CCC2)c1c(F)cc(c(F)c1)C	PC-id_81636674	301.17	FJQAYJRTIQLTDE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115730
BrC(C1C2C1CCC2)Cc1c(F)c(F)ccc1	PC-id_81636875	301.17	LCLGROLPWLSDIC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115734
BrC(C1C2C1CCCC2)c1cc(F)c(F)cc1	PC-id_81637988	301.17	XJLCOJFGQUGPPK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115735
BrC(C1C2C1CCCC2)c1c(F)ccc(F)c1	PC-id_81638302	301.17	RHXILUDZHGYOPX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115736
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BrCC1(CC2C(C1)C2)Cc1cc(F)cc(c1)F	PC-id_105410994	301.17	BRCSIBAKLDAEDB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115738
BrCC1(CC2C(C1)C2)Cc1c(F)cccc1F	PC-id_114934962	301.17	MBZVQEOSIUULPR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115739
BrC(C1CC2C(C2)C1)c1cc(c(F)cc1F)C	PC-id_80469480	301.17	QPHVXMPBXDDHNS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115740
BrC(C1CC2C(C2)C1)c1c(F)cc(c(F)c1)C	PC-id_80469598	301.17	KRPYUDKAFSTGIJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115741
BrC(C1CC2C(C2)C1)Cc1cc(F)c(F)cc1	PC-id_80472043	301.17	QAHNHQJLUSHPGL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115742
BrCC1(CC2C(C2)C1)Cc1cc(F)c(F)cc1	PC-id_82934985	301.17	ZTSKKULRVXPLPM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115743
BrC(C1CC2C(C2)C1)Cc1c(F)cccc1F	PC-id_80472011	301.17	OSARXLMCQOCGCS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115744
BrCC1(CC2C(C2)C1)Cc1c(F)ccc(F)c1	PC-id_80473432	301.17	LRAFMOWAYYCJCR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115745
BrC(C1CC2C(C2)C1)Cc1c(F)cc(F)cc1	PC-id_80472069	301.17	APPZYSZOWLFEMC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115746
BrCC1(CC2C(C2)C1)Cc1c(F)cc(F)cc1	PC-id_80473528	301.17	JPOZKNTUVRFXTF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115747
BrC(C1CC2C(C2)C1)Cc1c(F)c(F)ccc1	PC-id_80471980	301.17	ZVPINWBXWZFKIV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115748
BrCC1(CC2C(C2)C1)Cc1c(F)c(F)ccc1	PC-id_80473434	301.17	PVAUTNMBSDNZMK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-115749
CC(C)C(=O)NC1CCCCC2CC2C1OC(O)SC	PC-id_163586252	301.171	GLSODXVQMFSAPW-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-115750
OC(P(=O)(O)O)(P(=O)(O)O)CCN1CC2C(C1)C2	PC-id_23049860,SCHEMBL10391385	301.171	GMRZVIHBSUCXBI-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-115751
C1CCN(CC1)C(=O)C2=C(N=CC=C2)NCC3C4C3COC4	PC-id_154794913	301.179	DPAHVXWGBCFKJF-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-115752
CC(=O)N(CCC(=O)NC1[C@H]2[C@@H]1CNC2)CC3=CC=CC=C3	PC-id_154762728	301.179	UJKOKLLFIKQTEW-FKEKPDDDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-115753
Brc1cc(sc1)CC1(CC2C(C2)C1)C(=O)O	PC-id_80468305	301.199	LURWNRVSTWAXGX-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-115754
Brc1c(scc1)CC1(CC2C(C2)C1)C(=O)O	PC-id_80468102	301.199	ZNXOHOJODMBHPM-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-115755
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Fc1ccc(c(c1)F)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_319612230	301.352	FZOOLJDNQWUDFU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-115979
FC(CNc1scc(n1)CC(=O)N1CCC2C(C1)C2)F	MCULE-9844978354,EMOLS-id_320327238	301.355	IJDAULJOZGZOSK-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-115980
COC(=O)C1CS(=O)(=O)CCN1C(=O)C1C2C1CCC2	EMOLS-id_111160608	301.359	RWMIUKSRQNZWDC-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-115981
Fc1cccc(c1)c1noc(n1)C(NC1CCC[C@H]2[C@@H]1C2)C	MCULE-7593075467,EMOLS-id_320214648	301.359	NPZXRQNQTFEVTB-ZISVTKSWSA-N	00100000100010110001110000000000000000000000000000000000	22-01-115982
Fc1ccc(cc1C)c1noc(n1)CNC1CCCC2C1C2	MCULE-9589111681,EMOLS-id_318276886	301.359	FFNHGNWRKWXEAQ-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-115983
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CCPC(C(N)(C)C)(C(=O)OCC1CCC2C(C1)O2)C	PC-id_139519050,SCHEMBL21391738	301.361	KQPYBDOPIHSJMD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-115990
COCn1nccc1S(=O)(=O)N1CCC[C@H]2[C@]1(CO)C2	EMOLS-id_318865535	301.362	VHSASSBYIYFXKG-ZYHUDNBSSA-N	00100000100010000001010000000000000000000000000000000000	22-01-115991
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CC(C)(C)OC(=O)c1cccc(C(=O)N2CC[C@@H]3C[C@@H]3C2)c1	ZINC22_598332656	301.38	UJMZXZVGAYUYRH-IUODEOHRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116021
CC(C)(C)OC(=O)c1cccc(C(=O)N2CC[C@H]3C[C@@H]3C2)c1	ZINC22_598332657	301.38	UJMZXZVGAYUYRH-SWLSCSKDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116022
CC(C)(C)OC(=O)c1cccc(C(=O)N2CC[C@H]3C[C@H]3C2)c1	ZINC22_598332658	301.38	UJMZXZVGAYUYRH-WFASDCNBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116023
CC(C)(C)OC(=O)N1C2C1(CCCC2=O)Cc1ccccc1	PC-id_135005685	301.38	LAFBHIKHKXDPBC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116024
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Cn1ncc(c1)c1scc(n1)C(=O)NC1CCCC2C1C2	EMOLS-id_318607292	302.395	ZUVXZIBBPHIJHU-UHFFFAOYSA-N	00100000100010000001110000000000000000000000000000000000	22-01-116833
Cn1ncc(c1)c1scc(n1)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318607036	302.395	ZUVXZIBBPHIJHU-BVAQLPTGSA-N	00100000100010000001110000000000000000000000000000000000	22-01-116834
O=C(C1C2C1CCC2)NCc1csc(n1)c1ccn(n1)C	EMOLS-id_319235227	302.395	MMNVOKOCDIDFIB-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-116835
CCCCCCCCCCOCC1OC2OC2C(C1O)O	SCHEMBL19681951	302.406	ZDPGGOZMQHRYTH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-116836
CCOCCOCC1CC2OC2CC1COCCOCC	PC-id_58835821,SCHEMBL13086362	302.406	CSSUESOYGPRVBC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-116837
CC12CCC(CC2O1)COc1ccc(cc1)C1OCC1(C)C	SCHEMBL10329398,PC-id_58165323	302.408	UCZZASLUAPKBLU-UHFFFAOYSA-N	00101000000010110000110000000000000000000000000000000000	22-01-116838
CCCC/C=C(/[C@]12CCCC[C@H]1O2)Oc1ccc(cc1)OC	PC-id_102587007	302.408	LXWUMQJAGINSQH-JSIKBPLBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116839
C[C@H](c1ccccc1)C(=O)OC1CC2[C@@H](C[C@@]1(C)O)C2(C)C	PC-id_139741194	302.408	PLAXARKYOFUMRG-IYCZCNHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116840
OC1C2C(C2C)C(C1)(CC(C)c1ccccc1)C(=O)OCC	PC-id_76777639	302.408	KIXQGSCCSFQWLL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-116843
OC(C1(C2C1CCCCCC2)C)c1ccc(cc1)C(=O)OC	PC-id_76554886	302.408	YZGOHFVPMYOEQJ-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-116844
O=C(c1cc(C)c(c(c1)C)C)OCCCC12CCCCC1O2	SCHEMBL16273345,PC-id_117724458	302.408	WAHIPUUEANCCCY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116845
OC(C1([C@@H]2[C@H]1CCCCCC2)C)c1ccc(cc1)C(=O)OC	PC-id_57522751	302.408	YZGOHFVPMYOEQJ-GIOYIUAESA-N	00100000000000110100010000000000000000000000000000000000	22-01-116846
OC[C@H](c1ccccc1)C(=O)OC(CC1CC([C@H]2[C@@H]1C2)C)C	SCHEMBL18607908	302.408	CMNVSMZORNBOJJ-ITLOBLNZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-116847
O[C@@H]1[C@@H]2[C@@H]([C@H]2C)[C@](C1)(C[C@H](C)c1ccccc1)C(=O)OCC	PC-id_58403668	302.408	KIXQGSCCSFQWLL-KWJQWKIESA-N	00100010000010110000010000000000000000000000000000000000	22-01-116848
O1[C@]2([C@@]1(CCCC2)/C=C/c1ccccc1)/C=C/c1ccccc1	PC-id_10685788	302.409	FWNOVTXXIISMAO-XRFMLNKWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116849
O1C2(C1(CCCC2)C=Cc1ccccc1)C=Cc1ccccc1	PC-id_85232257	302.409	FWNOVTXXIISMAO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116850
c1(CN2CC3C(C3CNC(=O)OC(C)(C)C)C2)ccccc1	SCHEMBL8222010,MCULE-5722456918,PC-id_57985106,EMOLS-id_50604355	302.411	PZLROGVCOKZEST-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116851
C1OCC(C1)COc1cnccc1CNC1CCC[C@@H]2[C@H]1C2	EMOLS-id_318088671	302.411	FHLCHKCDLKYETD-OBKBAYEDSA-N	00100010000010101000010000000000000000000000000000000000	22-01-116852
Cc1ccc(cc1)CNC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_107238411	302.411	QXWJEVSNMGSJKA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116853
Cc1cccc(c1)CNC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_107238541	302.411	WIXJXBNQHOCUQG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116854
Cc1c(c(ccc1)C)OCC(C)(C)NC(=O)C1C2C1CNC2	SCHEMBL19724469,PC-id_86293505	302.411	ROFMYWKTKFDPEC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116855
Cc1cccc(C)c1OCC(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12	BindingDB-id_599436,SCHEMBL16252637	302.411	ROFMYWKTKFDPEC-FICVDOATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116856
CC1CC(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@H]23)C1	EMOLS-id_316307900,ZINC22_1579124430	302.411	CLPCDFHDXHYXJL-RVZSJEDASA-N	00101010000000000000010000000000000000000000000000000000	22-01-116857
CC(C1C2(CC2CN1)NC(=O)OC(C)(C)C)c1ccccc1	PC-id_91019576	302.411	QNJHGTOTHRGGPV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116858
CC(c1ccccc1)N1CC2CC2(C1)NC(=O)OC(C)(C)C	PC-id_91293858	302.411	MWDIYYZHPQCIBK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116859
CCc1ccccc1OCC(C)(C)NC(=O)C1C2C1CNC2	PC-id_86294064,SCHEMBL19724933	302.411	KIUPIWFNHBGFBN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116860
CCc1ccccc1OCC(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12	BindingDB-id_599459,SCHEMBL16252651	302.411	KIUPIWFNHBGFBN-FOLVSLTJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116861
CCc1ccccc1OCC(NC(=O)C1[C@@H]2[C@H]1CNC2)(C)C	BindingDB_PC-id_86294064	302.411	KIUPIWFNHBGFBN-MZBDJJRSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116862
CCc1ccccc1OCC(NC(=O)[C@@H]1C2[C@H]1CNC2)(C)C	SCHEMBL19724492	302.411	KIUPIWFNHBGFBN-XIFZVWCKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116863
CCC(C(C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)C)O	EMOLS-id_319109715	302.411	PNOSPNBAPBYJPP-TZFKJKPUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116864
CCCCOC(=O)NC12CN(CC1C2)[C@H](c1ccccc1)C	PC-id_142626552	302.411	VAZPYCFTSZAHLK-NXVRBGIVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116865
CC(C)(C)OC(=O)NC[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12	EMOLS-id_46114413,MCULE-3532345769,ZINC22_101966062	302.411	PZLROGVCOKZEST-PHZGNYQRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116866
CCCN(c1ccc(cc1)C(=O)N1CCC[C@H]2[C@]1(CO)C2)C	EMOLS-id_319230694	302.411	FKRSMZWPGGGAHZ-CRAIPNDOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116867
CC(CN(C(=O)NC1CCCC2C1C2)Cc1ccccc1)O	EMOLS-id_318172881	302.411	QCBSMQNCNJCUSH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116868
CCC(=O)Nc1ccc(cc1)OCCCCN1CC2CC2C1	PC-id_91186678	302.411	VGDHUMHUUNQLJC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116869
C[C@H]1CN(Cc2ccccc2)[C@H]2[C@@H](N1C(=O)OC(C)(C)C)C2	PC-id_102204826	302.411	OKYQKKMLODNYJQ-IMJJTQAJSA-N	00100000000010110001010000000000000000000000000000000000	22-01-116870
C[C@@H]1N(C[C@@H]2[C@]1(C2)NC(=O)OC(C)(C)C)Cc1ccccc1	PC-id_18648897,SCHEMBL9735033	302.411	KQQQUQMXTFWCLI-JCKWVBRZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116871
C[C@H]1N(C[C@@H]2[C@]1(C2)NC(=O)OC(C)(C)C)Cc1ccccc1	SCHEMBL9184926,PC-id_18648899	302.411	KQQQUQMXTFWCLI-DDUZABMNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116872
C[C@@H](c1ccccc1)N1CC2C(C1)(C2)NC(=O)OC(C)(C)C	PC-id_69634430,SCHEMBL6008976	302.411	MWDIYYZHPQCIBK-UQHVZDHRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116873
CCN(c1ccc(cc1)C(=O)N1CCC[C@H]2[C@]1(CO)C2)CC	EMOLS-id_318858272	302.411	BMBBXYADFAYCHQ-CRAIPNDOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116874
CCOCCCC(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12	EMOLS-id_316953975,MCULE-2806181452,ZINC22_372584722	302.411	ILHSDCBVNGYBQN-VQFNDLOPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116875
CC(OC(=O)NCC1[C@@H]2[C@@H]1CN(C2)Cc1ccccc1)(C)C	MCULE-7258596574	302.411	PZLROGVCOKZEST-HZPDHXFCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116876
CC(=O)Nc1cccc(c1)OCCNCC1CCC2C(C1)C2	EMOLS-id_316445795,MCULE-9538985327	302.411	CFSYSSIOVJKBQC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116877
[C@H]1(CN2CCC(CC2)Oc2ccc(cc2)OC)[C@H]2[C@@H]1CNC2	MCULE-4923393541,EMOLS-id_43086243,ZINC22_102124959	302.411	MSYZQULCAPRTQS-PIIMJCKOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-116878
[C@H]1(CN2CCC(CC2)Oc2ccccc2OC)[C@H]2[C@@H]1CNC2	ZINC22_102467578,EMOLS-id_43123453,MCULE-2812817523	302.411	ALTKXUNSTHIZBX-ZSHCYNCHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-116879
CN1CC2[C@@H](C1)[C@@H]2C(=O)NC(COc1ccccc1C)(C)C	SCHEMBL19724887	302.411	PREZCKGOXLTFIT-XIFZVWCKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116880
CN1C[C@@H]2[C@H](C1)C2C(=O)NC(COc1ccccc1C)(C)C	SCHEMBL16252652,PC-id_117709163,BindingDB_PC-id_117709163	302.411	PREZCKGOXLTFIT-MZBDJJRSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116881
CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NC(C)(C)COc1ccccc1C	BindingDB-id_599491,SCHEMBL16255942	302.411	PREZCKGOXLTFIT-FOLVSLTJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116882
CN(C12CC1CN(C2)Cc1ccccc1)C(=O)OC(C)(C)C	MCULE-5794211668	302.411	URPGLCWWSVJZNG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116883
CN(C1C2C1CN(C2)C(=O)OC(C)(C)C)Cc1ccccc1	PC-id_121597694	302.411	QBBRDNOUVAQAGL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116884
CN(c1ccc(cc1)OCCCCN1C[C@@H]2[C@H](C1)C2)C(=O)C	SCHEMBL4463708,PC-id_68804531	302.411	FFWODFJTNQDFNJ-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116885
CN(CCOCC1(C)C2C1CN(C2)C(=O)c1ccccc1)C	SCHEMBL5794106,PC-id_69568172	302.411	TZIBRLHEQPGVFN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116886
CN([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)C(C(c1ccc(cc1)C)C)O)C	EMOLS-id_319830350	302.411	RHNWAHALCGPKHC-RRZHVCNDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116887
CN(C(=O)c1ccc(cc1)OCCCCN1C[C@@H]2[C@H](C1)C2)C	PC-id_68803572,SCHEMBL4465038	302.411	ZSTWSAPORUKNGX-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116888
COc1ccc(cc1)CN1C[C@@H]2[C@H](C1)C2CC(=O)NC(C)C	PC-id_98815643	302.411	RCKYZRRYZKRQHG-ALOPSCKCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116889
COc1cccc(c1)CN(C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)CC(C)C	EMOLS-id_319191015	302.411	QWTUXAMYQAKCEE-FVQHAEBGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116890
COc1ccc(CN2C[C@H]3[C@@H](CC(=O)NC(C)C)[C@H]3C2)cc1	EMOLS-id_46141607,ZINC22_107745876	302.411	RCKYZRRYZKRQHG-BJWYYQGGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116891
COCC(C)(C)C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12	ZINC22_372340898,EMOLS-id_316954999,MCULE-9150730296	302.411	WMTLKZPVNCZZNM-ZSHCYNCHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116892
COCC(=O)Nc1cccc(c1)CNCC1CCC2C(C1)C2	EMOLS-id_318313370	302.411	YEBRHHIZODAEGS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116893
COC(C(=O)Nc1cccc(c1)NCC1CCC2C(C1)C2)C	EMOLS-id_316421520,MCULE-9893926784	302.411	FEIPKZNNEMMCRP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116894
O(C1CCN(CC2C3C2CNC3)CC1)c1ccc(OC)cc1	PC-id_76424579	302.411	MSYZQULCAPRTQS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-116895
O(C1CCN(CC2C3C2CNC3)CC1)c1c(OC)cccc1	PC-id_76426862	302.411	ALTKXUNSTHIZBX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-116896
O(C1CCN(CC2[C@H]3[C@@H]2CNC3)CC1)c1ccc(OC)cc1	PC-id_56889196	302.411	MSYZQULCAPRTQS-JWTNVVGKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-116897
O(C1CCN(CC2[C@H]3[C@@H]2CNC3)CC1)c1c(OC)cccc1	PC-id_56898247	302.411	ALTKXUNSTHIZBX-XYPWUTKMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-116898
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)CCN(C)C	MCULE-4173021934,EMOLS-id_320073906	302.411	QXXSVMVKLICCNG-SJLPKXTDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116899
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1N)C(C)(C)C	EMOLS-id_319079043	302.411	AEVABLRCKUJGFA-KZULUSFZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-116900
OC[C@]12C[C@H]1CCCN2C(=O)c1cc(n(c1C)CC1CC1)C	EMOLS-id_319209699	302.411	OPOBUOMESZDZMW-CRAIPNDOSA-N	00100000110010000000010000000000000000000000000000000000	22-01-116901
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O=C(C1C2[C@H]1CNC2)NC(COc1c(C)cccc1C)(C)C	PC-id_144745342	302.411	ROFMYWKTKFDPEC-WLYUNCDWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116903
O=C(C1[C@@H]2[C@H]1CNC2)NC(COc1c(C)cccc1C)(C)C	BindingDB_PC-id_86293505	302.411	ROFMYWKTKFDPEC-YIONKMFJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116904
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O(CCCCN1CC2C(C2)C1)c1ccc(cc1)C(=O)N(C)C	PC-id_77556311	302.411	ZSTWSAPORUKNGX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116906
O(CCCCN1CC2C(C2)C1)c1ccc(N(C)C(=O)C)cc1	PC-id_77556509	302.411	FFWODFJTNQDFNJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-116907
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Clc1ccc(c2noc(CN[C@@H]3CCC[C@@H]4C[C@@H]34)n2)cc1	ZINC22_646093946	303.787	NUZHPPVIZPLNDT-MRVWCRGKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-117736
Clc1ccc(cc1)c1nnc(o1)CNC1CCCC2C1C2	EMOLS-id_318212579,MCULE-5104711439	303.787	BIJHXISULNEKJK-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-117737
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Clc1ccccc1c1nnc(o1)CNC1CCCC2C1C2	MCULE-5754499083,EMOLS-id_318181705	303.787	DCYREKFCYHZJCN-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-117739
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Clc1ccc(cc1)c1nnc(o1)CNC1CCC[C@H]2[C@@H]1C2	MCULE-9856917833,EMOLS-id_318470546	303.787	BIJHXISULNEKJK-LXKBMQFRSA-N	00100000100010110001110000000000000000000000000000000000	22-01-117742
Clc1ccc(cc1)c1noc(n1)CNC1CCCC2C1C2	EMOLS-id_317998763,MCULE-5883727165	303.787	NUZHPPVIZPLNDT-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-117743
Clc1cccc(c1)c1noc(n1)CNC1CCCC2C1C2	MCULE-4967934086,EMOLS-id_318334150	303.787	ZVBXOQKZILSBHK-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-117744
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COC(=O)/C=C/c1c(ccc(c1)OCC1CO1)OC1C2C1O2	PC-id_164110600	304.095	XWPVFTASTCNMKT-GORDUTHDSA-N	00100000000000110000010000000000000000000000000000000000	22-01-117759
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S1C2(C(C2S/C/1=C(/C)C(=S)c1ccccc1)(C)C)C	PC-id_23266667	306.509	NNNZPYXBYNKQQY-JLHYYAGUSA-N	00100010000000110001010000000000000000000000000000000000	22-01-119418
S1C2(C(C2SC1=C(C)C(=S)c1ccccc1)(C)C)C	PC-id_74039347	306.509	NNNZPYXBYNKQQY-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-119419
s1c(nc(c1)C(C)(C)C)CC1(CC2C(C2)C1)CNCCC	PC-id_80470580	306.509	CPSLEYPHLDXNKH-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-119420
s1c(nc(c1)C(C)(C)C)CC1(CC2C(C2)C1)CNC(C)C	PC-id_80470626	306.509	GFLSAHRZRNTTPL-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-119421
CC1(C)CCCCCC[C@@H]2C[C@@H]2CCCCCC(C)(C)C1=O	CoCoCo_5744435,ZINC22_5538555,PC-id_92268102	306.526	APFUKGAGJOUSBI-MSOLQXFVSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119422
CC1(C)CCCCCC[C@@H]2C[C@H]2CCCCCC(C)(C)C1=O	NSC677299,PC-id_92268104,ZINC22_5538561	306.526	APFUKGAGJOUSBI-QZTJIDSGSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119423
CC1(C)CCCCCC[C@H]2C[C@@H]2CCCCCC(C)(C)C1=O	PC-id_92268103,ZINC22_5538556	306.526	APFUKGAGJOUSBI-ROUUACIJSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119424
CC1(C)CCCCCC[C@H]2C[C@H]2CCCCCC(C)(C)C1=O	ZINC22_5538567,PC-id_92268105,CoCoCo_5744436	306.526	APFUKGAGJOUSBI-ZWKOTPCHSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119425
CC(CC(CC1(C)OC1)(C)C)CC1CC(C)(C)CC2(C1C2)C	PC-id_143295959	306.526	ZOIAYXBKWSEEOT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119426
O=C1C(CCC2C(C2)CCCCCCCCCC1(C)C)(C)C	PC-id_385897	306.526	QZCPFYFRNPXOMG-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119427
O=C1C(CCCCCC2C(C2)CCCCCCC1(C)C)(C)C	PC-id_385898	306.526	APFUKGAGJOUSBI-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119428
O=C1C(C)(C)CCCCCCCCC[C@@H]2[C@H](CCC1(C)C)C2	CoCoCo_5744433	306.526	QZCPFYFRNPXOMG-ZWKOTPCHSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119429
CC1CCCCCC(CC1)NNC1CCCCCCC2C1C2	PC-id_138538663,SCHEMBL20892519	306.529	NWFNSZBSAKLFHX-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119432
CCN1[C@@H](CC2C1C2CC([C@@H]1CCCN1C(C)C)C)C(C)C	SCHEMBL19558927	306.529	NHYLTVXETLDQSF-FRQUTVOGSA-N	00100010000000000000010000000000000000000000000000000000	22-01-119433
C[Si](O[SiH2]c1ccccc1)(CCC1CCC2C(C1)O2)C	SCHEMBL12896066	306.547	WONPSUKLECLSLJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119434
C12C(C1C)CCCCCCCCCCCCCCCCCC2	PC-id_59509298	306.569	MGMZVEHVWLJVSP-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119435
CC1(CCCCCCCCCCCCCCC2CC2CC1)C	PC-id_91387327	306.569	AOPXREWCEMTCAV-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119436
CCCCC(CCC)CCC12CC1(C2(C)C(C)CC)CCC	PC-id_91257923	306.569	WULPWJQIJDPTRQ-UHFFFAOYSA-N	00101000000000000000010000000000000000000000000000000000	22-01-119437
ClC(COS(=O)(=O)N1C2C1CCC=C2)(Cl)Cl	PC-id_101420582	306.594	IBWMXTNQTOXZQO-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-119438
Brc1sc(C(N)C2C3C2CCC3)cc1Cl	PC-id_81630593	306.65	BWDPMZNQBBOTJE-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-119439
Brc1sc(C(N)C2CC3C(C3)C2)cc1Cl	PC-id_80530839	306.65	MWMNGZKLURBXPL-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-119440
NC(C1C2C1CCC2)c1cc(c(s1)Cl)Br	PC-id_102828174	306.65	FWELENJNPBEASH-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-119441
NC(c1cc(c(s1)Cl)Br)C1CC2C(C1)C2	PC-id_102827967	306.65	OCNFGKFZZLTUJA-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-119442
CC(C(=O)NC1(CC(C2C1C2C(=O)O)O)C(=O)O)NCl	PC-id_87199344	306.7	WVJSHGTXNRPEKF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-119443
ClN[C@H](C(=O)N[C@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)O)O)C(=O)O)C	SCHEMBL1104752	306.7	WVJSHGTXNRPEKF-BXSIUSLOSA-N	00100010000010000000010000000000000000000000000000000000	22-01-119444
C1C2C(C2Nc2nc(nc(n2)c2ccccc2F)Cl)CO1	SCHEMBL18520726,PC-id_89684271	306.723	YGDNWCCVDUYDST-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-119445
Clc1nc(NC2[C@@H]3[C@H]2COC3)nc(n1)c1ccccc1F	SCHEMBL15102693	306.723	YGDNWCCVDUYDST-SLHIUPAKSA-N	00100010000000110001110000000000000000000000000000000000	22-01-119446
Clc1nc(N[C@@H]2[C@@H]3[C@H]2COC3)nc(n1)c1ccccc1F	SCHEMBL15123768	306.723	YGDNWCCVDUYDST-JZYVYDRUSA-N	00100010000000110001110000000000000000000000000000000000	22-01-119447
Clc1nc(N[C@@H]2[C@H]3[C@@H]2COC3)nc(n1)c1ccccc1F	SCHEMBL20565815	306.723	YGDNWCCVDUYDST-DOFRTFSJSA-N	00100010000000110001110000000000000000000000000000000000	22-01-119448
CC(CCN(c1nc(Cl)nc2c1N2)c1ccc(cc1)F)C	PC-id_145436395	306.766	KFIJSNCACWXIOB-UHFFFAOYSA-N	00100000000000110001010000000000000000000000000000000000	22-01-119449
Fc1ccc(cc1Cl)n1nnc(c1)CNC1CCC2C1C2	EMOLS-id_318523016,MCULE-3051569416	306.766	PDJJDVATYULWIS-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-119450
Fc1ccc(c(c1)Cl)n1nnc(c1)CNC1CCC2C1C2	MCULE-3562847615,EMOLS-id_318763013	306.766	SBLHZFODDMNUHG-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-119451
Clc1ccc(cc1)CCC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319345887	306.787	YRTNVDRCTIBUGK-WBMJQRKESA-N	00100000000010110000010000000000000000000000000000000000	22-01-119452
Clc1ccc(cc1)C(C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	EMOLS-id_318993623	306.787	IGMBUXXOKDMSMQ-WUCYQEPTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119453
Clc1ccc(nc1)C1CCN(CC1)C(=O)[C@@H]1[C@@H]2[C@H]1COC2	EMOLS-id_319080038	306.787	JIPNLQYGKFGCAO-NHAGDIPZSA-N	00100010000010101000110000000000000000000000000000000000	22-01-119454
Clc1c(cc(NC(=O)C2CC3C(C3)C2)cc1)C(=O)N(C)C	PC-id_80470498	306.787	QVQQBAZXDWZNQM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119455
Clc1cc(NC(=O)C2CC3C(C3)C2)c(cc1)C(=O)N(C)C	PC-id_80470046	306.787	XPLAFVFWIJRBIF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119456
Clc1c(NC(=O)C2CC3C(C3)C2)cc(cc1)C(=O)N(C)C	PC-id_80470096	306.787	ZDNYBMWKACBAGU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119457
Clc1c(NC(=O)C2CC3C(C3)C2)cc(NC(=O)CC)cc1	PC-id_80470510	306.787	ACXDLNNLAHRQGG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119458
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cc(C)c(cc1C)Cl	EMOLS-id_318791809	306.787	PRUJIJDXUCTONX-BZNIZROVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119459
O=C([C@@H]1[C@@H]2[C@H]1CNC2)N1CCC(C1)Oc1ccccc1Cl	EMOLS-id_320130802,MCULE-8533305189	306.787	WUOHDFODGKWLHR-PVPAGCOESA-N	00100010000000110000010000000000000000000000000000000000	22-01-119460
O=C(N1CCC(C1)Oc1ccccc1Cl)[C@@H]1C[C@@H]2[C@H](N1)C2	MCULE-4185847556,EMOLS-id_317989540	306.787	SWRWYXAMXONOHW-WDFAYWTNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119461
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1cccc(c1Cl)C	EMOLS-id_319266688	306.787	UVJLEFMTKMPZFF-WBMJQRKESA-N	00100000000010110000010000000000000000000000000000000000	22-01-119462
Clc1ccc(nn1)c1csc(n1)NC1CCC[C@H]2[C@@H]1C2	MCULE-7614633440,EMOLS-id_318431469	306.814	UCBBOJWOBJIGKY-ZDGBYWQASA-N	00100000100010100001110000000000000000000000000000000000	22-01-119463
C1(C(=O)Oc2cc(C)c(cc2C(C)C)Cl)C2C1CCCC2	PC-id_579217,MCULE-1651602976,EMOLS-id_43355495,CK1918431	306.827	QYKUQWDSORVDFG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119464
Cc1cc(OC(=O)C2[C@H]3CCCC[C@H]23)c(C(C)C)cc1Cl	ZINC22_54587	306.827	QYKUQWDSORVDFG-STQMWFEESA-N	00100000000010110000010000000000000000000000000000000000	22-01-119465
Cc1cc(OC(=O)C2[C@@H]3CCCC[C@@H]23)c(C(C)C)cc1Cl	ZINC22_54590	306.827	QYKUQWDSORVDFG-CHWSQXEVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119466
Cc1cc(OC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c(C(C)C)cc1Cl	ZINC22_253390158	306.827	QYKUQWDSORVDFG-LAQFHYBYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119467
Clc1cc(c(OC(=O)C2[C@H]3[C@@H]2CCCC3)cc1C)C(C)C	PC-id_686914	306.827	QYKUQWDSORVDFG-MPYYAJLASA-N	00100000000010110000010000000000000000000000000000000000	22-01-119468
CC(CC(c1ccc(cc1)Cl)NC(=O)[C@@H]1[C@@H]2[C@H]1CNC2)C	EMOLS-id_319237485	306.83	SOHYYBBIUOHWSL-OFTBEEIDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119469
CCCCNC(=O)C1C2C1CN(C2)Cc1ccc(cc1)Cl	SCHEMBL712405,PC-id_66776172	306.83	CZKMMPXOAZXCRM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119470
[C@H]1(CN2CCC(CC2)Oc2ccccc2Cl)[C@H]2[C@@H]1CNC2	MCULE-3967488074,ZINC22_102546465,EMOLS-id_43130395	306.83	ZYUFHNAZTFWSCO-FICVDOATSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119471
Clc1ccc(cc1)C(C(N(C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)C)C)C	EMOLS-id_319132222,MCULE-3477157870	306.83	GHGYVPZMKDRWQD-WWVPKRDGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119472
Clc1c(OC2CCN(CC3C4C3CNC4)CC2)cccc1	PC-id_76436200	306.83	ZYUFHNAZTFWSCO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119473
Clc1c(OC2CCN(CC3[C@@H]4[C@H]3CNC4)CC2)cccc1	PC-id_56900106	306.83	ZYUFHNAZTFWSCO-YIONKMFJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119474
C1C2C(=I2)C[I-]1	PC-id_149312322	306.849	SSYUCAHLQFQQMB-UHFFFAOYSA-N	00110010000000000000010000000000000000000000000000000000	22-01-119475
C1C2C([I-]2)C=[I]1	PC-id_163626527	306.849	BPMVHNCSMMCNKM-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-119476
CCCCCNCC1C2C1CN(C2)Cc1ccc(cc1)Cl	PC-id_68781240,SCHEMBL3774934	306.873	KQSVOWUAKVMXMP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119477
CCC(CNCC1C2C1CN(C2)Cc1ccc(cc1)Cl)C	SCHEMBL5509521,PC-id_69469623	306.873	WCLHXUAOKFWRKR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119478
CCCCCCCCCCCCCC1c2c1c(Cl)ccc2	SCHEMBL19103591	306.913	XABWTXCKLSOKRD-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-119479
O=C1OC(C2C1C2)C(I)(Cl)Cl	PC-id_141542272	306.913	REASIIAFWCKDCN-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-119480
C#CC(=O)N1CCC2C(C1)C2(Br)Br	EMOLS-id_262391597	306.982	LHDKKFKZWHUHEC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119481
C#CC(=O)N1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262391600	306.982	LHDKKFKZWHUHEC-NKWVEPMBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119482
C#CCCN1CCC2C(C1)C2(Br)Br	EMOLS-id_262391703	307.025	IAWUYQQFPMQMTB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119483
CC#CCN1CCC2C(C1)C2(Br)Br	EMOLS-id_262391709	307.025	MURBNTOUCHBRGX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119484
C#CCCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262391706	307.025	IAWUYQQFPMQMTB-DTWKUNHWSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119485
CC#CCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262391712	307.025	MURBNTOUCHBRGX-DTWKUNHWSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119486
C#CCN1CC[C@@]2([C@H](C1)C2(Br)Br)C	EMOLS-id_262391777	307.025	LFYBSLSLGNFQKV-DTWKUNHWSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119487
CC(CN)C1=CC=C(C=C1)OC(=O)C2CC3C(S3)C(=O)O2	PC-id_148539601	307.088	MRXBSWQGUYZZEF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119488
O=C1OCC2[C@@]1([At])C2	PC-id_143670557	307.092	HXNKBNMHEPAJAP-PVPKANODSA-N	00100010000000000000010000000000000000000000000000000000	22-01-119489
C1C[C@@H]2[C@@H](C2COOC(=O)ON3C(=O)CCC3=O)CCC#C1	PC-id_155235193	307.106	QIJXPAIHRPVLAE-FOSCPWQOSA-N	00100010000000000110010000000000000000000000000000000000	22-01-119490
CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@]3(C[C@@]3(C2)C)C=O	PC-id_162367450	307.124	LDZXBTDCEYNWAA-HZPDHXFCSA-N	00100000000000110100010000000000000000000000000000000000	22-01-119491
Clc1c(C(=O)N2c3c2cccc3)c(Cl)cc(c1)C(=O)N	PC-id_69007806	307.132	SYMCEHBTMRMWOX-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-119492
C1C[C@@H]2[C@@H](C2COC(=O)NCC(=O)CCC(=O)O)CCC#C1	PC-id_160216979	307.142	IGWMSCVLVXLQGR-PBWFPOADSA-N	00100000000000000110010000000000000000000000000000000000	22-01-119493
CC1=CCC[C@H]2[C@H]([C@H]2COC(=O)ON3C(=O)CCC3=O)CC1	PC-id_148588466	307.142	NAEBPYUDNARHKE-XQQFMLRXSA-N	00100010000000000110010000000000000000000000000000000000	22-01-119494
C1CCC2(C(C1)C2(F)F)CC(=O)NC3=NC=CN=C3C4CC4	MCULE-1689254989,PC-id_154787650,EMOLS-id_317720274	307.15	KSCYZGQIUFFQPY-UHFFFAOYSA-N	00100000000010100001110000000000000000000000000000000000	22-01-119495
CC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)N3C[C@@H]4C[C@@H]4[C@H]3C[NH-]	PC-id_162175710	307.156	ZOJGDRYCMNLTQI-OFQRWUPVSA-N	00100010000000110001110000000000000000000000000000000000	22-01-119496
CC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)N3[C@@H](C[C@H]4[C@@H]3C4)C[NH-]	PC-id_161882697	307.156	YDCDTDHJNAVNCS-YCPHGPKFSA-N	00100010000000110001110000000000000000000000000000000000	22-01-119497
ICCCCNC(=O)C1C2C1CCC2	PC-id_106846119	307.171	BSGSRSAJIYWSDG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-119498
ICCCCNC(=O)C1CC2C(C1)C2	PC-id_106846382	307.171	ANQRHVZWMHFGPM-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-119499
ICCCNC(=O)C1C2C1CCCC2	PC-id_114504300	307.171	LEBDATPLXNQUAK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119500
Brc1ccc(C(O)C#CC23OC2CCCC3)cc1	PC-id_16071089	307.182	ZTWLAJSADOVYMK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119501
CC1([C@@H]2C1[C@H](NC2)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C	PC-id_149342996	307.19	YENPJONRTDXTMD-XKGSQUFQSA-N	00101010000000000000010000000000000000000000000000000000	22-01-119502
CC12CCC(CC1O2)CCCCC3(CCC4C(C3)O4)C(=O)[O-]	PC-id_152770376	307.191	AZIWRQLRYAFODR-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-119503
CC1CCC(CC1)c1ccc(cc1)C(=O)NC12CC1C=CC=C2	PC-id_164071231	307.194	WPIRKEWOOCBADU-UHFFFAOYSA-N	00100000000011110000110000000000000000000000000000000000	22-01-119504
Clc1cc(S(=O)(=O)NC2C3C2CNC3)ccc1Cl	PC-id_43597448	307.196	XUMGYLNSHTWRET-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119505
Clc1cc(S(=O)(=O)NC2C3C2CNC3)cc(Cl)c1	PC-id_43597313	307.196	DFXVELGPVKIDNR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119506
Clc1c(S(=O)(=O)NC2C3C2CNC3)cccc1Cl	PC-id_43597427	307.196	QIMONKZRVNKXIM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119507
Clc1c(S(=O)(=O)NC2C3C2CNC3)cc(Cl)cc1	PC-id_43597452	307.196	COSAIHCKCWDIRJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119508
Clc1c(S(=O)(=O)NC2C3C2CNC3)c(Cl)ccc1	PC-id_43597432	307.196	LCGZYOHMKHGDFV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119509
CC(=C)C(=O)[C@H](C[C@H]1CC2CC2(C1)C)NC(=O)OC(C)(C)C	PC-id_154974352	307.215	INRDUDRPQMNMKG-VUULHSHRSA-N	00100010000010000000010000000000000000000000000000000000	22-01-119510
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)CC3CCCCC3	PC-id_162271177	307.215	CXZASAQYMYBCOK-KFWWJZLASA-N	00100010000010000000010000000000000000000000000000000000	22-01-119511
CCCCCCCC1(O)OC2(C)OC2CC1Br	PC-id_141543795	307.224	FHHHZAFUFASAGA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119512
Brc1c(cc(C(=O)C2C3C2CCCC3)c(c1)C)C	PC-id_81624762	307.225	MEHWGWXVZGDYJP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119513
Cc1cc(C)c(c(c1C(=O)C1C2C1CCC2)C)Br	PC-id_114249196	307.225	JLAHLQKUJQYBOP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119514
Cc1cc(C)c(c(c1C(=O)C1CC2C(C1)C2)C)Br	PC-id_114249199	307.225	BLUFQIHEBHUFES-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119515
CC(C1CC2CC2N1C)Oc1cnc(cc1)[As]C	PC-id_87289630	307.243	VVCJYTJLWMWABX-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-119516
CN1C(CC2C1C2)CCOc1cnc(cc1)[As]C	PC-id_87289631	307.243	MJBGUKXVNQKFLU-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-119517
CC(=O)NC(C(C([C@]12OC2O1)O)O)C(CC(C(=O)O)O)O	SCHEMBL12708223	307.254	NDSCYJRWCNMLFG-DCBZGMGLSA-N	00100000000000000000010000000000000000000000000000000000	22-01-119518
CC(=O)NC(C(C([C@]12O[C@@H]2O1)O)O)C(CC(C(=O)O)O)O	SCHEMBL13104032	307.254	NDSCYJRWCNMLFG-HNFUUOAWSA-N	00100000000000000000010000000000000000000000000000000000	22-01-119519
O1C2(OC12)C(O)C(O)C(NC(=O)C)C(O)CC(O)C(=O)O	PC-id_58214490	307.254	NDSCYJRWCNMLFG-UHFFFAOYSA-N	00100000000000000000010000000000000000000000000000000000	22-01-119520
BrC(C1C2C1CCC2)c1ccc(cc1)C(CC)C	PC-id_81636174	307.269	MNYDVOQTJUBJHN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119521
BrC(C1C2C1CCC2)c1c(c(cc(c1C)C)C)C	PC-id_81636175	307.269	VWCHKCRQDSPHHR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119522
BrC(C1C2C1CCC2)c1ccc(cc1)CCCC	PC-id_81637132	307.269	VIANLWJYHJWPBT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119523
BrC(C1C2C1CCCC2)Cc1cc(c(cc1)C)C	PC-id_81636571	307.269	OLMQTOIIPHHPSO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119530
BrC(C1C2C1CCCC2)Cc1c(ccc(c1)C)C	PC-id_81636874	307.269	YLPSNAWALCPHAW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119531
BrC(C1CC2C(C2)C1)c1c(c(cc(c1C)C)C)C	PC-id_80469449	307.269	AWTNDLSCFHGHOY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119532
BrC(C1CC2C(C2)C1)c1ccc(cc1)CCCC	PC-id_80469476	307.269	NOJTYFGEQWPIIY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119533
BrC(C1CC2C(C2)C1)c1ccc(cc1)C(C)(C)C	PC-id_80469498	307.269	UKYWQKHKCBOGDM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119534
BrC(C1CC2C(C2)C1)c1ccc(cc1)CC(C)C	PC-id_80470420	307.269	KRNODZGCOHESQC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119535
BrC(C1CC2C(C2)C1)c1ccc(cc1)C(CC)C	PC-id_80470875	307.269	BJSDDGSBXLKMJD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119536
BrC(C1CC2C(C2)C1)c1c(CC)ccc(c1)CC	PC-id_80469398	307.269	BGOMQINPIPHGEG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119537
BrCC1(CC2C(C2)C1)Cc1c(cc(cc1C)C)C	PC-id_80473090	307.269	WLTYIRCRWKJCFC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119538
BrCC1(CC2C(C2)C1)Cc1ccc(cc1)C(C)C	PC-id_80473263	307.269	PBPRGCXZQSXLRK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119539
CCc1cc(ccc1CC)C(C1C2C1CCC2)Br	PC-id_113319227	307.269	JBSLIIBPYWXTNW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119540
CCc1cc(ccc1CC)C(C1CC2C(C1)C2)Br	PC-id_113319233	307.269	VJWUMPTVKBCNIN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119541
Fc1cccc(c1)n1ncc(c1)C(=O)N1CC2C(C1)C2(F)F	EMOLS-id_319250799	307.27	DFNUYSPKMOQDMQ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-119542
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1C)F	PC-id_135103850,EMOLS-id_317385068,MCULE-9994711901,ZINC22_1704309578	307.274	XLNTYTCVAYJHFM-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119543
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(c(C)c1)F	EMOLS-id_317370466,ZINC22_1704309249,PC-id_135091069,MCULE-9519727758	307.274	LVDULDBNIWTMBR-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119544
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1c(C)cccc1F	PC-id_135118462,ZINC22_1704337490,MCULE-6579925153,EMOLS-id_317336004	307.274	SYBCVVTVBHPBII-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119545
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cccc(F)c1C	PC-id_135109232,EMOLS-id_317361077,ZINC22_1704336226,MCULE-3466453728	307.274	WHQWQFKOWPPPAH-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119546
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(F)ccc1C	ZINC22_1704329622,MCULE-7260522517,EMOLS-id_317337279,PC-id_135112934	307.274	XBAVBDAZZAUUDA-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119547
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1ccc(cc1)F	MCULE-6076374706,EMOLS-id_317348797,PC-id_135117493,ZINC22_1704336060	307.274	TVXOVCMFWLMWGY-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119548
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1cccc(F)c1	MCULE-9062747262,ZINC22_1704337370,EMOLS-id_317343426,PC-id_135118705	307.274	RNELUQUWQMZFJW-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119549
CC(C)(C)OC(=O)N1[C@@H](C[C@@]2([C@H]1C2)COC(F)F)C(=O)O	SCHEMBL20488881,PC-id_135318996	307.29	CWJXUFYSQPMGKV-DAROEXNTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-119550
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1ccc(c(O)c1)OC)C(=O)O	ZINC22_1704312435,PC-id_135103144,EMOLS-id_317363830,MCULE-6327883484	307.299	RVETWJJHDAGEQG-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119551
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cc(O)ccc1OC)C(=O)O	PC-id_135116286,EMOLS-id_317362095,MCULE-1404631692,ZINC22_1704326254	307.299	ZJCRQYVDDGVLLC-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119552
c1ccc(cc1)CO[C@@H]1[C@@H]([C@H]2[C@@H]([C@H]2[C@@]1(C(=O)O)N)C(=O)O)O	PC-id_134144056,BindingDB_PC-id_134144056	307.299	KPKSEPNXKJWVTO-AFJGUQMISA-N	00100010000010110000010000000000000000000000000000000000	22-01-119553
CC(C1OC(C)(C)C2C(C1C(C)(C)C)C2(Cl)Cl)(C)C	SCHEMBL13422459,PC-id_59205491	307.299	QZKLCLDKFUSVET-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119554
CC(C)CN1CCN(C2C1C2)CCC3CCN(CC3)C(C)C	PC-id_164715707	307.299	CPSUKEIGFAIMON-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-119555
C=CCOC(=O)[C@H]1[C@@H]2[C@@]1(N)[C@](C(=C=O)C2)(OCC=C)C(=O)O	PC-id_140482672	307.299	DIERVSMJMYKEFN-HKCMKHECSA-N	00100010000000000000010000000000000000000000000000000000	22-01-119556
CCn1ncc(c1)c1n[nH]cc1C(=O)N1CC2C(C1)C2(F)F	EMOLS-id_318657823	307.299	XEFMGLQVKADIRD-UHFFFAOYSA-N	00100010100000000001110000000000000000000000000000000000	22-01-119557
COC1(OC)C(=CC(C2C1O2)O)NC(=O)c1ccccc1O	PC-id_12043283,SCHEMBL5706505	307.299	WPYHMVOHDYLEJZ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-119558
COC1(OC)C=C(NC(=O)c2ccccc2O)[C@@H]([C@H]2[C@@H]1O2)O	PC-id_102524052	307.299	GGJJCPUIMHTFDC-AVGNSLFASA-N	00100000000011110000010000000000000000000000000000000000	22-01-119559
O1[C@H]2[C@@H]1[C@@H](O)C=C(NC(=O)c1c(O)cccc1)C2(OC)OC	PC-id_53310070	307.299	WPYHMVOHDYLEJZ-DRZSPHRISA-N	00100000000011110000010000000000000000000000000000000000	22-01-119560
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccn(C(C)C)n1	PC-id_135116117,ZINC22_1704330932,MCULE-6466671209,EMOLS-id_317372345	307.302	LXHGDSIWOZUFJC-OKILXGFUSA-N	00100010100000000001010000000000000000000000000000000000	22-01-119561
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CCn1cc(cn1)C	MCULE-4531824705,ZINC22_1704316136,PC-id_135101714,EMOLS-id_317340040	307.302	WSTYTMHESZRVNT-OKILXGFUSA-N	00100010100000000001010000000000000000000000000000000000	22-01-119562
COc1cc(C(=O)NC2C3C2CNC3)c(cc1OC)[N+](=O)[O-]	PC-id_121635169	307.302	OLEITAWERCAFEP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119563
O1C2C1C(O)C(N=[N+]=[N-])C(O)C2OCc1ccc(OC)cc1	PC-id_85304813	307.302	VOBSHQFDIGZWNS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119564
O1[C@H]2[C@@H]1[C@@H](O)[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]2OCc1ccc(OC)cc1	PC-id_10892164	307.302	VOBSHQFDIGZWNS-NKTODWNOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119565
FC(F)(F)C(=O)CCC1N(C2C(C2)C1)C(=O)OC(C)(C)C	PC-id_76739430	307.309	FWEHYYOPODWVAF-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-119566
FC(F)(F)C(=O)CC[C@H]1N([C@@H]2[C@@H](C2)C1)C(=O)OC(C)(C)C	PC-id_58278676	307.309	FWEHYYOPODWVAF-BBBLOLIVSA-N	00100010000000000000010000000000000000000000000000000000	22-01-119567
CC1(CO)CN(C(=O)NC[C@@]23CNC[C@@]2(C(F)(F)F)C3)C1	ZINC22_1615589680	307.312	GEVSEEZEHMQBJO-NEPJUHHUSA-N	00101010000000000000010000000000000000000000000000000000	22-01-119568
CC1(CO)CN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)C1	ZINC22_1615589686,EMOLS-id_316756922,MCULE-5654799172	307.312	GEVSEEZEHMQBJO-VXGBXAGGSA-N	00101010000000000000010000000000000000000000000000000000	22-01-119569
CCOC1CN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)C1	EMOLS-id_316757434,MCULE-6386279893,ZINC22_1551539469	307.312	BSIKWTLHTMWYDB-VXGBXAGGSA-N	00101010000000000000010000000000000000000000000000000000	22-01-119570
CCOC1CN(C(=O)NC[C@@]23CNC[C@@]2(C(F)(F)F)C3)C1	ZINC22_1551539444	307.312	BSIKWTLHTMWYDB-NEPJUHHUSA-N	00101010000000000000010000000000000000000000000000000000	22-01-119571
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cc(C)c(c(C)c1)F)C(=O)O	MCULE-2181620369,EMOLS-id_317365119,ZINC22_1704312743,PC-id_135101621	307.317	YELKGLVGSZZSNT-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119572
COc1ccc(cc1F)C(C(=O)O)NC(=O)C1C2C1CCC2	MCULE-7468001217,PC-id_121964208,EMOLS-id_72637323	307.317	BXHWHIRECKNEKM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119573
Fc1c(c(CC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)ccc1)C	PC-id_67684855,SCHEMBL8762559	307.317	DZOIXBLWHSPXTG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119574
Fc1c(cc(CC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)cc1)C	PC-id_67685330,SCHEMBL8764566	307.317	FURDUFOUZWHWMH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119575
Fc1c(cc(CC2C(N)(C3C([C@@H]3C(=O)O)C2)C(=O)O)cc1)C	SCHEMBL8891537,PC-id_67718268	307.317	FURDUFOUZWHWMH-VWBQTCJJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119576
Fc1c(cc(CC2[C@](N)([C@H]3[C@H]([C@@H]3C(=O)O)C2)C(=O)O)cc1)C	PC-id_11722733	307.317	FURDUFOUZWHWMH-FKKUAZMSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119577
Fc1c(cc(C[C@H]2[C@](N)([C@H]3[C@H]([C@@H]3C(=O)O)C2)C(=O)O)cc1)C	SCHEMBL8763970,PC-id_21309797	307.317	FURDUFOUZWHWMH-SSHPZETRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119578
FC(c1noc(n1)CNS(=O)(=O)C1C2C1CCCC2)F	EMOLS-id_319943435,MCULE-5188954032	307.317	CPBRDDDTQKDTNG-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-119579
OC1C(O)C(O)C([C@@H]2[C@H]1N2CCC#Cc1ccc(cc1)F)O	PC-id_138571273,SCHEMBL20929289	307.317	DXPJBMOTNJDUGA-ZKGCZCMBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119580
OC(=O)C(Oc1ccc(cc1)F)CNC(=O)C1C2C1CCC2	MCULE-2621082157,EMOLS-id_72036569,PC-id_120222018	307.317	CFKUOWFKWQXNNE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119581
CNC(=O)Nc1cc(ccc1F)NC(=O)C1C2C1CCCO2	MCULE-7983326840,EMOLS-id_316161547	307.32	MTGYKFKWFFRNIB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119582
CNC(=O)Nc1cc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)ccc1F	ZINC22_376211834	307.32	MTGYKFKWFFRNIB-BIMULSAOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119583
CNC(=O)Nc1cc(NC(=O)[C@@H]2[C@H]3CCCO[C@@H]23)ccc1F	ZINC22_376211836	307.32	MTGYKFKWFFRNIB-OASPWFOLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119584
CNC(=O)Nc1cc(NC(=O)[C@@H]2[C@@H]3CCCO[C@@H]23)ccc1F	ZINC22_376211838	307.32	MTGYKFKWFFRNIB-ZWKOPEQDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119585
CNC(=O)Nc1cc(NC(=O)[C@H]2[C@H]3OCCC[C@H]23)ccc1F	ZINC22_376211837	307.32	MTGYKFKWFFRNIB-WQAKAFBOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119586
COCCNC(=O)C12CC1CCN2C(=O)c1ccnc(F)c1	EMOLS-id_324103994	307.32	DMKZEBZMFJKFNL-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-119587
COCCNC(=O)[C@]12C[C@H]1CCN2C(=O)c1ccnc(F)c1	ZINC22_2056224892	307.32	DMKZEBZMFJKFNL-ABAIWWIYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-119588
COCCNC(=O)[C@@]12C[C@H]1CCN2C(=O)c1ccnc(F)c1	ZINC22_2056224893	307.32	DMKZEBZMFJKFNL-IAQYHMDHSA-N	00100010000000101000010000000000000000000000000000000000	22-01-119589
COCCNC(=O)[C@]12C[C@@H]1CCN2C(=O)c1ccnc(F)c1	ZINC22_2056224894	307.32	DMKZEBZMFJKFNL-NHYWBVRUSA-N	00100010000000101000010000000000000000000000000000000000	22-01-119590
COCCNC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1ccnc(F)c1	ZINC22_2056224895	307.32	DMKZEBZMFJKFNL-XHDPSFHLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-119591
OC1CN(C(C1)c1ccc(c(c1)F)F)C(=O)C1C2C1CCC2	EMOLS-id_318016358	307.335	RKMVXKVOPTXIQE-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-119592
OC1CN(C(C1)c1cc(F)ccc1F)C(=O)C1C2C1CCC2	EMOLS-id_318167074	307.335	DLVSQUDLSYYXQK-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-119593
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OC[C@]12C[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1ccc(cc1F)F	EMOLS-id_319829619,MCULE-4616929788	307.335	VEXDRNVOANCISZ-KEAXFYSCSA-N	00100000000010110000110000000000000000000000000000000000	22-01-119595
C1(CO)(CO)C2C1CN(C(=O)c1c(cccc1OC)OC)C2	PC-id_137342960,EMOLS-id_317472628,MCULE-4744527695	307.342	ZMDGATYNTPIGHQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119596
CC1=CCCC2[C@@H](CC1)[C@H]2COC(=O)ON1C(=O)CCC1=O	PC-id_139437276,SCHEMBL21299329	307.342	NAEBPYUDNARHKE-HDYSRYHKSA-N	00100010000000000110010000000000000000000000000000000000	22-01-119597
CCOC(=O)[C@@]1(NC(=O)C2CC3C(C2C(=O)O)C3)C[C@H]1C=C	SCHEMBL16638875,PC-id_118011944	307.342	GAXBXIUBVHAYST-NNDSSOMWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-119598
COc1cccc(OC)c1C(=O)N1C[C@@H]2[C@@H](C1)C2(CO)CO	ZINC22_1772703159	307.342	ZMDGATYNTPIGHQ-GHMZBOCLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119599
COc1cccc(OC)c1C(=O)N1C[C@H]2[C@@H](C1)C2(CO)CO	ZINC22_1772703165	307.342	ZMDGATYNTPIGHQ-PHIMTYICSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119600
COc1cccc(OC)c1C(=O)N1C[C@H]2[C@H](C1)C2(CO)CO	ZINC22_1772703170	307.342	ZMDGATYNTPIGHQ-QWRGUYRKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119601
COC(=O)CN(C(=O)CCC12C=CC=CC1C2)CC(=O)OC	PC-id_144243941	307.342	AIPNJRPHVPWCAR-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-119602
O1C2C1C(O)(C=C(NC(=O)C=CC=CC)C2(OC)OC)C=C	PC-id_85232369	307.342	QTJOLXZTFHEWTR-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-119603
O1[C@@H]2[C@H]1[C@](O)(C=C(NC(=O)/C=C/C=C/C)C2(OC)OC)C=C	PC-id_10686153	307.342	QTJOLXZTFHEWTR-FZPDKKTRSA-N	00100000000011000000010000000000000000000000000000000000	22-01-119604
O=C(c1ccccc1c1ccccc1C(=O)O)N1CC2C(C1)C2	EMOLS-id_318551564	307.343	LNMHNWYWJSOPHB-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-119605
O=C(c1ccc(cc1)c1ccccc1)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)O	EMOLS-id_318622674	307.343	ZRMAUGGJBOBPPR-FVQHAEBGSA-N	00100010000000110000110000000000000000000000000000000000	22-01-119606
OC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1ccccc1c1ccccc1	EMOLS-id_318812185	307.343	LUTHHYBJLANEEA-FVQHAEBGSA-N	00100010000000110000110000000000000000000000000000000000	22-01-119607
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[S@@](=O)([C@@]12N([C@@H]1CCCC2=O)C(=O)OCC)c1ccccc1	PC-id_10979731	307.365	BUIPJHQHRSUNFN-CUXPVSOMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119657
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CC(Cn1[nH]c(cc1=O)CC(=O)NC12CC1COC2(C)C)C	EMOLS-id_279124059	307.388	BYPYSIFOEOXVEX-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-119698
CCC(=O)N1CCCC(C1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319130825	307.388	KYESHPMGPGQSML-KMQIDDJNSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119699
CC(NC(=O)C(=O)N1CCN(CC1)C(=O)C1C2C1CCC2)C	EMOLS-id_111568524	307.388	PYMSNMRTYQWLSY-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-119700
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OC[C@]12C[C@H]1CCCN2C(=O)C1=NN(C(=O)CC1)CC(C)C	EMOLS-id_319658428	307.388	ZNBMODUACYVKAH-MLGOLLRUSA-N	00100000000011000001010000000000000000000000000000000000	22-01-119702
OC[C@]12C[C@H]1CCCN2C(=O)Cc1[nH]n(c(=O)c1)CC(C)C	EMOLS-id_319903961,MCULE-1490735305	307.388	HQNVAIVVUCUTGA-MLGOLLRUSA-N	00100000100010000001010000000000000000000000000000000000	22-01-119703
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O=C(N1CCN(CC1)C(=O)C)CCNC(=O)C1C2C1CCC2	EMOLS-id_111569065	307.388	NZYJYLHVQILPRC-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-119709
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S(=O)(=O)(N/C(=N/C1[C@@H]2[C@H]1CCCC2)/[O-])c1ccc(cc1)C	PC-id_51577150	307.388	JIRRNKIYARHKRO-PBWFPOADSA-M	00100000000010110000010000000000000000000000000000000000	22-01-119711
Cc1ccc(cc1)C(c1ccccn1)NC(=O)N1CC2C(C1)C2	EMOLS-id_318507270	307.39	IKIWPICEFXHAMC-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-119712
Cc1cccc(c1)C(c1ccccn1)NC(=O)N1CC2C(C1)C2	EMOLS-id_318611903	307.39	BCSOXGCCJTXFFD-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-119713
C/C=C(C1=CC2=C[C@@]2(N=C1)NC1(CC1)c1ccc(cc1)C)/NO	PC-id_117976120	307.39	PVTNQHIOJGKFGE-XTAKQWGHSA-N	00110000000011110000110000000000000000000000000000000000	22-01-119714
C/C=C(C1=CC2=C[C@@]2(N=C1)NC1(CC1)c1ccccc1C)/NO	PC-id_117976123	307.39	BQDAYXYKGWWTTQ-XTAKQWGHSA-N	00110000000011110000110000000000000000000000000000000000	22-01-119715
C/C=C(C1=CC2=C[C@@]2(N=C1)NC1(CC1)c1cccc(c1)C)/NO	PC-id_117976186	307.39	OARGLEGGZOONPQ-XTAKQWGHSA-N	00110000000011110000110000000000000000000000000000000000	22-01-119716
CC=C(C1=CC2=C[C@@]2(N=C1)NC1(CC1)c1ccc(cc1)C)NO	SCHEMBL16596293	307.39	PVTNQHIOJGKFGE-LJQANCHMSA-N	00110000000011110000110000000000000000000000000000000000	22-01-119717
CC=C(C1=CC2=C[C@@]2(N=C1)NC1(CC1)c1ccccc1C)NO	SCHEMBL16596296	307.39	BQDAYXYKGWWTTQ-LJQANCHMSA-N	00110000000011110000110000000000000000000000000000000000	22-01-119718
CC=C(C1=CC2=C[C@@]2(N=C1)NC1(CC1)c1cccc(c1)C)NO	SCHEMBL16596369	307.39	OARGLEGGZOONPQ-LJQANCHMSA-N	00110000000011110000110000000000000000000000000000000000	22-01-119719
CN(c1ccc(nn1)c1ccccc1)C(=O)C1C2C1CCCC2	PC-id_71851138,EMOLS-id_45768032,MCULE-1434272987	307.39	GPGOYNOZMDTPCO-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-119720
CN(c1ccc(nn1)c1ccccc1)C(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_97061509	307.39	GPGOYNOZMDTPCO-MVVMVCHASA-N	00100000000010110001110000000000000000000000000000000000	22-01-119721
CN(C(=O)C1[C@H]2CCCC[C@H]12)c1ccc(c2ccccc2)nn1	PC-id_98228791,ZINC22_101647851	307.39	GPGOYNOZMDTPCO-GJZGRUSLSA-N	00100000000010110001110000000000000000000000000000000000	22-01-119722
CN(C(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(c2ccccc2)nn1	ZINC22_101647861,PC-id_98228794	307.39	GPGOYNOZMDTPCO-HUUCEWRRSA-N	00100000000010110001110000000000000000000000000000000000	22-01-119723
CN(C(=O)[C@@H]1[C@H]2CCCC[C@@H]12)c1ccc(c2ccccc2)nn1	ZINC22_245992330	307.39	GPGOYNOZMDTPCO-HWWDLCQESA-N	00100000000010110001110000000000000000000000000000000000	22-01-119724
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cccc(c1c1cccnc1)C	SCHEMBL2932494,PC-id_68446102	307.39	OBPAFZDEKGCTNB-DJIMGWMZSA-N	00100010000000111000110000000000000000000000000000000000	22-01-119725
N[C@@H]1C[C@H](C(=O)NCc2ccnc(c3ccccc3)c2)[C@H]2C[C@@H]12	ZINC22_1615545700,EMOLS-id_316772796,MCULE-4570122894	307.39	HTWMLGIVLLWSPS-VVLHAWIVSA-N	00100010000010111000110000000000000000000000000000000000	22-01-119726
O=C(C1C2C1CCC2)NCc1ccc(cc1)Nc1ccncc1	EMOLS-id_258024917,MCULE-9683507320	307.39	HCIRWYPGFWNAIK-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-119727
O=C(C1CCC2C(C1)C2)NCc1cccc(n1)c1ccccn1	EMOLS-id_319049159	307.39	MYRGXMSMJYLJAN-UHFFFAOYSA-N	00100000000010101000110000000000000000000000000000000000	22-01-119728
O=C(c1ccc(cc1)Nc1ccncc1)N1CC2C(C1)C2(C)C	MCULE-8627594485,EMOLS-id_318711917	307.39	YGXCQMXGIXJLNK-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-119729
O=C(c1ccccc1NCc1cccnc1)N1CCCC2C1C2	MCULE-4746654192,EMOLS-id_318156083	307.39	RWHSWVDINWOTOR-UHFFFAOYSA-N	00100000000010111000010000000000000000000000000000000000	22-01-119730
O=C(c1cnc(nc1C)c1ccccc1)NC1CCCC2C1C2	EMOLS-id_318754061	307.39	LQDJYXLRNVKCID-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-119731
O=C(c1cnc(nc1C)c1ccccc1)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318753805	307.39	LQDJYXLRNVKCID-CKDQBVIESA-N	00100000000010110001110000000000000000000000000000000000	22-01-119732
O=C([C@@H]1C[C@H]2[C@@H](C1)C2)NCc1ccc(cc1)Nc1ccncc1	EMOLS-id_316724527	307.39	BVZCKVVEFGIBTD-ZSHCYNCHSA-N	00100010000010111000010000000000000000000000000000000000	22-01-119733
O=C(N1C(C2C(C2)C1)CN)c1c(c(ccc1)C)c1cccnc1	PC-id_77501415	307.39	OBPAFZDEKGCTNB-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-119734
O=C(N1CCCC2C1C2)c1nccc(c1)NCc1ccccc1	EMOLS-id_318658870,MCULE-3825408296	307.39	COEAHGDJZVCNAL-UHFFFAOYSA-N	00100000000010111000010000000000000000000000000000000000	22-01-119735
O=C(N1CCCC2C1C2)NC(c1ccccn1)c1ccccc1	EMOLS-id_318666181	307.39	RPMQCLXTXARPGT-UHFFFAOYSA-N	00100000000010111000010000000000000000000000000000000000	22-01-119736
[C@@H]12CN(C[C@@H]1[C@H]2CN(C)Cc1nncn1C(C)C)C(=O)OC	EMOLS-id_43124021,ZINC22_102471814,MCULE-7527439977	307.391	BMTNFOXXEVEJRW-XYYAHUGASA-N	00100010100000000001010000000000000000000000000000000000	22-01-119737
OC[C@]12C[C@H]1CCCN2C(=O)C(n1nnnc1C(C)(C)C)C	EMOLS-id_318953699	307.391	YJAPCHCXWHLLNS-HUFXEGEASA-N	00100000100010000001010000000000000000000000000000000000	22-01-119738
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1nnc(s1)c1cscc1	EMOLS-id_318409437	307.391	FXOPZHVWMXULFR-OPRDCNLKSA-N	00100000100110000001110000000000000000000000000000000000	22-01-119739
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1snc(n1)c1cccs1	EMOLS-id_318462502	307.391	RWNBEQNQQNBKNW-SZEHBUNVSA-N	00100000100110000001110000000000000000000000000000000000	22-01-119740
O(C(=O)N1CC2C(C2CN(Cc2n(C(C)C)cnn2)C)C1)C	PC-id_76426890	307.391	BMTNFOXXEVEJRW-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-119741
Brc1sc(C(O)C2CC3C(C3)C2)cc1Cl	PC-id_80531984	307.634	QSWIBWMYGGKCNS-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-119920
O(C(=O)N1C[C@H]2[C@H](C2CN(Cc2n(C(C)C)cnn2)C)C1)C	PC-id_56898391	307.391	BMTNFOXXEVEJRW-YHWZYXNKSA-N	00100010100000000001010000000000000000000000000000000000	22-01-119742
FC(F)(F)COCCCC1(CC2C(C2)C1)CNC(C)(C)C	PC-id_80470602	307.395	GXVNBFOYQBFVLL-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-119743
FC(F)(F)COCCCC1(CC2C(C2)C1)CNCC(C)C	PC-id_80472202	307.395	WQOQDUYWIGDTDI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-119744
CSC[C@H](CCO)NC(=O)C1CC[C@@H]2[C@@H](CC1)C2(F)F	ZINC22_2325769926	307.4	SPTHOMAEBMJASI-QJPTWQEYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119745
CSC[C@H](CCO)NC(=O)C1CC[C@H]2[C@H](CC1)C2(F)F	ZINC22_2325769927	307.4	SPTHOMAEBMJASI-SRVKXCTJSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119746
CSC[C@@H](CCO)NC(=O)[C@@H]1CC[C@H]2[C@@H](CC1)C2(F)F	ZINC22_2325769928	307.4	SPTHOMAEBMJASI-WISYIIOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119747
CSC[C@H](CCO)NC(=O)[C@@H]1CC[C@H]2[C@@H](CC1)C2(F)F	ZINC22_2325769929	307.4	SPTHOMAEBMJASI-YFKTTZPYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-119748
FC1(F)CCC(CC1)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318874399	307.4	GVLGWUAFSYMGNR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119749
CC(OC(N1CC2C(C1)C2COS(=O)(=O)C)(O)C)(C)C	SCHEMBL16858314,PC-id_118193807	307.406	HCUSFJGROHZXRA-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-119750
Cc1ccc(cc1C(=O)N1CC2C(C1)C2(C)C)S(=O)(=O)C	EMOLS-id_111161572	307.408	SUJJGEASXLELTC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119751
Cc1ccc(cc1)S(=O)(=O)N1C/C=CCCC2(C(C1)O2)C	PC-id_102265939	307.408	AKBONJOOVUUVPO-HYXAFXHYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-119752
Cc1cc(c(cc1)S(=O)(=O)NC(=O)CC1CCC2C1C2)C	MCULE-3853596839,EMOLS-id_112076474,PC-id_136546675	307.408	SLKHXTYFHURNDD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119753
Cc1ccc(S(=O)(=O)NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c(C)c1	ZINC22_408486388	307.408	SLKHXTYFHURNDD-HZSPNIEDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119754
Cc1ccc(S(=O)(=O)NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c(C)c1	ZINC22_408486391	307.408	SLKHXTYFHURNDD-IHRRRGAJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119755
Cc1ccc(S(=O)(=O)NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c(C)c1	ZINC22_408486393	307.408	SLKHXTYFHURNDD-MELADBBJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119756
Cc1ccc(S(=O)(=O)NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c(C)c1	ZINC22_408486394	307.408	SLKHXTYFHURNDD-RDBSUJKOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119757
CC1(C)OCC2C1(C2)NS(=O)(=O)c1cccc(c1)C1CC1	EMOLS-id_319091979	307.408	KGDZNKHMDFKHAJ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-119758
CCc1ccccc1S(=O)(=O)NC(=O)C1CCC2C(C1)C2	EMOLS-id_112095704,PC-id_136548522,MCULE-5917919735	307.408	CHEBKORZRZOVPL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119759
CCc1ccccc1S(=O)(=O)NC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1	ZINC22_408493724	307.408	CHEBKORZRZOVPL-BFHYXJOUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119760
CCc1ccccc1S(=O)(=O)NC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1	ZINC22_408493726	307.408	CHEBKORZRZOVPL-MCIONIFRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119761
CCc1ccccc1S(=O)(=O)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC22_408493729	307.408	CHEBKORZRZOVPL-MGPQQGTHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119762
CCc1ccccc1S(=O)(=O)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1	ZINC22_408493733	307.408	CHEBKORZRZOVPL-MJBXVCDLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119763
C=CC[C@]1(O)CCC[C@H]2[C@@H]1N2S(=O)(=O)c1ccc(cc1)C	PC-id_102032382	307.408	KLUKXHYHLWNFGU-RXMKTKRKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119764
C=CCC[C@]12CC[C@H]([C@H]1N2S(=O)(=O)c1ccc(cc1)C)O	PC-id_101421687	307.408	IWRVBAHSLZVKHU-VPSFDDGASA-N	00100010000000110000010000000000000000000000000000000000	22-01-119765
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CC(=O)CC12CN(CC1C2C)S(=O)(=O)c1ccc(cc1)C	PC-id_102069559	307.408	ORIMLDKTTHJBGR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-119767
NC(=O)C(S(=O)(=O)CC1CCC2C(C1)C2)c1ccccc1	MCULE-7187396232,EMOLS-id_320151857	307.408	BHGZVLYBNJGSIU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119768
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(cc1)C1CC1	EMOLS-id_319809394	307.408	DTEJYWCYSGWPFP-GDBMZVCRSA-N	00100000000010110000110000000000000000000000000000000000	22-01-119769
OC[C@]12C[C@H]1CCCN2S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1	EMOLS-id_320090605,MCULE-6378902294	307.408	ZBTHSPRFTRFACN-QKPAOTATSA-N	00100000000010110000110000000000000000000000000000000000	22-01-119770
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s1c(NC(=O)C2C3C2CCC3)c(cc1CC)C(=O)OCC	PC-id_81637432	307.408	SUEHIJCNMAOVDH-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-119782
s1c(NC(=O)C2C3C2CCCC3)c(cc1C)C(=O)OCC	PC-id_79883908	307.408	CDTBHZSHXSHOPW-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-119783
s1c(NC(=O)C2C3C2CCCC3)cc(c1C(=O)OCC)C	PC-id_79264855	307.408	HIHBUTBNEXGNHI-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-119784
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Clc1cc(C(NCCC)C2C3C2CCCC3)ccc1OC	PC-id_81625223	307.858	FMZJXJLXIQXUPY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119988
Clc1c(C(NCCC)C2C3C2CCCC3)ccc(OC)c1	PC-id_81629664	307.858	ZCUUZEVKDCQCEA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-119989
COCCNCC1(CC2C(C1)C2)Cc1ccc(cc1Cl)C	PC-id_106869623	307.858	SUVVEGXLACDTPD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-119990
BrB(Br)C1C2C(C2CCC1C)(C)C	PC-id_85390455	307.861	WEOHLCNVQRAYQH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119991
BrB(Br)[C@H]1[C@@H]2C([C@@H]2CC[C@@H]1C)(C)C	PC-id_11077693	307.861	WEOHLCNVQRAYQH-JQCXWYLXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119992
Clc1c(n(nc1C)CC)CC1(CC2C(C2)C1)CNC1CC1	PC-id_80470531	307.861	WSELQMYMXOIEQG-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-119993
Clc1c(n(nc1CC)C)CC1(CC2C(C2)C1)CNC1CC1	PC-id_80470748	307.861	SQSAZOHFSSDDCI-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-119994
COc1ccc(cc1)C(b1c2c1cccc2)Cb1c2c1cccc2	PC-id_101187276	307.989	MABLJBILWORGFN-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-119995
COc1ccc(cc1)CC(b1c2c1cccc2)b1c2c1cccc2	PC-id_101187279	307.989	UZMOYMVUFOEVCX-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-119996
C1=CC2(C(N2C(=O)C3=CC=C(C=C3)C(=O)N)C(=C1)Cl)Cl	PC-id_154364032	308.012	CSHHEUJGNDBEPZ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-119997
N#CCCN1CCC2C(C1)C2(Br)Br	EMOLS-id_262395537	308.013	MOQOTZRHZCLKSX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119998
N#CCCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262395540	308.013	MOQOTZRHZCLKSX-JGVFFNPUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-119999
N#CCN1CC[C@@]2([C@H](C1)C2(Br)Br)C	EMOLS-id_262395657	308.013	HHFMIOJKCRAKOG-JGVFFNPUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120000
C1CC(C2(C1C2C(=O)[O-])S(=O)(=O)C3=CC=CC=C3)C(=O)[O-]	PC-id_154448203	308.037	PHKXDYMMIGXPKN-UHFFFAOYSA-L	00100010000010110000010000000000000000000000000000000000	22-01-120001
C1CC2C(O2)CC1CC[SiH]3O[SiH2]O[SiH2]O[SiH2]O3	SCHEMBL9095878,PC-id_154151286	308.039	OXLZEVOXDUCAOW-UHFFFAOYSA-N	00100000000010000101010000000000000000000000000000000000	22-01-120002
BrC1(Br)C2C1CCCC/C=C/CC2	NSC155642,PC-id_5382918	308.053	FMLIDPAVUZBTIQ-HNQUOIGGSA-N	00100000000000000110010000000000000000000000000000000000	22-01-120003
BrC1(Br)C2C1CCC=CCCCC2	PC-id_291106	308.053	FMLIDPAVUZBTIQ-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-120004
BrC1(Br)[C@H]2CCCC/C=C/CC[C@@H]12	LI_151040	308.053	FMLIDPAVUZBTIQ-AOXPZSFVSA-N	00100000000000000110010000000000000000000000000000000000	22-01-120005
BrC1(Br)[C@@H]2[C@H]1CCCC/C=CCC2	PC-id_98522132	308.053	FMLIDPAVUZBTIQ-PSMNYDHOSA-N	00100000000000000110010000000000000000000000000000000000	22-01-120006
BrC1(Br)[C@@H]2[C@H]1CCCC/C=C/CC2	PC-id_98522134	308.053	FMLIDPAVUZBTIQ-ZNRHVGLYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-120007
BrC1(Br)[C@@H]2[C@@H]1CCCC/C=CCC2	PC-id_98522136	308.053	FMLIDPAVUZBTIQ-CVLTWBRKSA-N	00100000000000000110010000000000000000000000000000000000	22-01-120008
BrC1(Br)[C@@H]2[C@@H]1CCCC/C=C/CC2	PC-id_98522137	308.053	FMLIDPAVUZBTIQ-MRSNMJRISA-N	00100000000000000110010000000000000000000000000000000000	22-01-120009
C[C@H](C(=O)N[C@]1(CC[C@@H]2[C@H]1[C@]2(C(=O)O)F)C(=O)O)NCl	PC-id_153092818	308.058	VPMRGGQYBOISBM-YNYXXYDSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120010
C[C@H](C(=O)N[C@@]1(CC[C@H]2[C@@H]1[C@@]2(C(=O)O)F)C(=O)O)NCl	PC-id_164040196	308.058	VPMRGGQYBOISBM-AEUDOYEASA-N	00100010000010000000010000000000000000000000000000000000	22-01-120011
CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2C3CC3CC2C(=O)N	PC-id_153637376	308.083	AMGXQEXGBREQGM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120012
C1CC(=O)N(C2C1O2)OCc1c(ccc(c1)NN=[N-])[NH+](O)[O-]	PC-id_164055130	308.1	NNMQZRFIESKNMT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120013
C1CC(=O)N(C2C1O2)OCc1c(ccc(c1)N=NN)N(O)[O-]	PC-id_164055131	308.1	FPUGVGAWNUKICC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120014
CN1C(=C(C=N1)Cl)CNC[C@]23C[C@]2(CNC3)C(F)(F)F	PC-id_154807387,MCULE-5291731704,EMOLS-id_317762487	308.102	YOJNHZOXNOVIHQ-WDEREUQCSA-N	00100010100000000001010000000000000000000000000000000000	22-01-120015
C1C2C1OC(C=C2F)OCC(=O)C(CO)Oc1ccccc1	PC-id_163653019	308.106	INVGBBXWMGSJAO-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-120016
CC(=O)N1CC2CC2(C1)NS(=O)(=O)C3=CC=C(C=C3)C[NH-]	PC-id_154464859	308.107	JGQWJYKDTPYKJC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120017
Brc1ccc(C(=O)CN2C(=O)C3C(C3)C2=O)cc1	PC-id_64836614	308.127	DGJUHJPOOMQDGF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120018
Brc1cc(C(=O)CN2C(=O)C3C(C3)C2=O)ccc1	PC-id_64834752	308.127	KYJJEKZTJLIUOX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120019
Brc1c(C(=O)CN2C(=O)C3C(C3)C2=O)cccc1	PC-id_64835872	308.127	NDNRJFDCQSPYPB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120020
CC(C)(COc1ccccc1Cl)NC(=O)C1[C@H]2C1CNC2	PC-id_164128330	308.129	YLMFUMLLCOCRMH-CDWSIMAYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120021
CC(=O)C1C(=O)C(=C2C(C1=O)C2)B(OC(C(O)(C)C)(C)C)O	PC-id_121004987	308.135	YYUIMJHROOAXBZ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-120022
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I/C=[N+]
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C1CC2C(C2COC(=O)N(CC(=O)O)C(=O)CN)CCC#C1	PC-id_154625349	308.137	FLODZZTWYMQHLU-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-120025
C1C[C@@H]2[C@@H](C2COC(=O)NCC(=O)NCC(=O)O)CCC#C1	PC-id_152186760	308.137	VSKDCZAMMQMQQT-FOSCPWQOSA-N	00100000000000000110010000000000000000000000000000000000	22-01-120026
C1COCCC1CN2CC3C(C2)C3NC4=NN=C(C=C4)Cl	PC-id_153333531	308.14	NIBFTADWHHHLRQ-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-120027
CC12CC(NC1C2)C(=O)NC3=C(C=CC(=N3)Cl)CN(C)C	PC-id_153456765	308.14	OXRLAMZJZFDTDQ-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-120028
CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@]3(C[C@@]3(C2)C)CN	PC-id_162367525	308.156	JVLGYKJYKKPPOM-HZPDHXFCSA-N	00100000000000110100010000000000000000000000000000000000	22-01-120029
ICC1(C(=O)OCC)C2C1CCCC2	PC-id_121220158	308.156	WRTZHMIEWYDIHR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120030
I/C=C/[C@@]12O[C@@]1(C[C@@H](O)CC2(C)C)C	PC-id_44521828	308.156	KHCZIWDDSWRCJO-NYIKTPFZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120031
OC[C@H]1N(C(=O)OC(C)(C)C)C(=O)[C@H]2[C@@H]1C2=C(Cl)Cl	SCHEMBL21338646,PC-id_139472550	308.158	UEVHXRBGNMRPGU-CHKWXVPMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120033
C1CC2C(O2)CC1CC[SiH](C3=CC=CC=C3)C4=CC=CC=C4	PC-id_153698960	308.16	UGMIXGGMPXHWAO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120034
CC1(C2C1CN(C2)C(=O)NC3=CN=C(N=C3)C4=CC=CC=C4)C	MCULE-2299772259,PC-id_154736181,EMOLS-id_317279932	308.164	IAYPDNVPCJGKSG-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-120035
CC1(C2C1(CN[C@@H]2C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)F)C	PC-id_165179485	308.165	SHZYMQHUNUDTPB-KVLKQTODSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120036
Brc1ccc(CN2C(=O)C3C(C3C2=O)(C)C)cc1	PC-id_64687947	308.17	DMFIQVHJRVAWOH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120037
Brc1cc(CN2C(=O)C3C(C3C2=O)(C)C)ccc1	PC-id_64688347	308.17	QPTKXUWDKBJLKM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120038
Brc1c(CN2C(=O)C3C(C3C2=O)(C)C)cccc1	PC-id_64688550	308.17	FBPSKQVROWKHQB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120039
BrCC(CN1C(=O)C2C(C2)C1=O)c1ccccc1	PC-id_65014705	308.17	WQVXJPQRBMYMSC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120040
CC(C)(C)OC(=O)N1CC2CC2(C1)C(=O)NCC(=O)C3CC3	PC-id_161428424	308.174	VXRKFVRJJWIOQL-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120041
CC(C)CCC1=C(C=CC2(C1(S2)CCC(C)C)O)C(=O)C	PC-id_163954186	308.181	SBXFTQLDIIZKEG-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-120042
CC1(C2C1C(NC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)N)C	PC-id_164701784	308.185	WSVFAHSDFFKVAT-DPFQSYNXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120043
CC(C)(C)OC(=O)N1CCC(F)(CBr)C2CC12	EMOLS-id_317894652	308.187	PLCCODQQXHECFF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120044
C1CCCC2C(O2)CC(CC1)C(=O)OCC3CCC4C(C3)O4	PC-id_150770006	308.199	JZQUPYBQIYKLCC-UHFFFAOYSA-N	00100000000010000100010000000000000000000000000000000000	22-01-120045
CC1CC(CC2C1O2)C(=O)OCCCC3CCCC4C(C3)O4	PC-id_153748971	308.199	OHHKTBJDKNSWLN-UHFFFAOYSA-N	00100000000010000100010000000000000000000000000000000000	22-01-120046
CCC1C(CCC2C1O2)C(=O)OC(CC)C3CCC4C(C3)O4	PC-id_154219903	308.199	ZWJFHUYMILMWRM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120047
CC(C)CCC12CCCCC(C1O2)I	PC-id_134934857	308.199	QWEQVRLIVLLYDX-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-120048
CC(C)(C)C(CC(=O)O[C@@H]1C[C@@H]2C[C@@H]2[C@H]1CCC=C)C(=O)O	PC-id_160590689	308.199	WUJFFXQYMCIEAW-KDLCZHGXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120049
COC1CC(C)C(=O)C2(C1C2(C)C)OB(c1cccs1)O	PC-id_145861608	308.201	DHQPWYQKCYEPIA-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-120050
Clc1cc(C(C(=O)C2C3C2CCCC3)C#N)ccc1Cl	PC-id_81631793	308.202	JCACRNYRLSPBJV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120051
Clc1c(C(C(=O)C2C3C2CCCC3)C#N)ccc(Cl)c1	PC-id_81630403	308.202	CDIJFUYYSZMZDJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120052
Clc1c(C(C(=O)C2C3C2CCCC3)C#N)c(Cl)ccc1	PC-id_81630292	308.202	KQNKHHCHXPLDJO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120053
Brc1ccc([C@@H](NC(=O)C2CC3C(C3)C2)C)cc1	PC-id_81359288	308.214	JQDCAHYFWKQIDO-KODGCSJUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120054
Brc1ccc([C@H](NC(=O)C2CC3C(C3)C2)C)cc1	PC-id_81359771	308.214	JQDCAHYFWKQIDO-HNLWRCSVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120055
Brc1ccc(CN(C(=O)C2C3C2CCC3)C)cc1	PC-id_79600988	308.214	BQASYPFLHIFQQV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120056
Brc1ccc(C(NC(=O)C2C3C2CCC3)C)cc1	PC-id_79673733	308.214	CVNOLMGICRNUCL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120057
Brc1ccc(CNC(=O)C2C3C2CCCC3)cc1	PC-id_79140199	308.214	UIELWFGMBUHZHG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120058
Brc1ccc(CN(C(=O)C2CC3C(C3)C2)C)cc1	PC-id_80467686	308.214	GCQMOKJHGMVQFB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120059
Brc1ccc(C(NC(=O)C2CC3C(C3)C2)C)cc1	PC-id_80467770	308.214	JQDCAHYFWKQIDO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120060
Brc1cc([C@@H](NC(=O)C2CC3C(C3)C2)C)ccc1	PC-id_81376348	308.214	LQQAIMKRGWJTSS-KODGCSJUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120061
Brc1cc([C@H](NC(=O)C2CC3C(C3)C2)C)ccc1	PC-id_81376710	308.214	LQQAIMKRGWJTSS-HNLWRCSVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120062
Brc1cc(c(NC(=O)C2C3C2CCC3)cc1)CC	PC-id_81004246	308.214	DTDHXSFGCLMUCC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120063
Brc1cc(c(NC(=O)C2C3C2CCC3)c(c1)C)C	PC-id_81630289	308.214	PLGCKGGGYXHLOT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120064
Brc1cc(C(NC(=O)C2C3C2CCC3)C)ccc1	PC-id_79601169	308.214	VTQKEVFLPWDZCM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120065
Brc1cc(CN(C(=O)C2C3C2CCC3)C)ccc1	PC-id_79672548	308.214	YXZLCRSYDPDQJL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120066
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Brc1cc(c(NC(=O)C2CC3C(C3)C2)c(c1)C)C	PC-id_80467475	308.214	AXDHWQGBIYVXKL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120070
Brc1cc(c(NC(=O)C2CC3C(C3)C2)cc1)CC	PC-id_81289352	308.214	VTNDBXSVOCIEGY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120071
Brc1cc(C(NC(=O)C2CC3C(C3)C2)C)ccc1	PC-id_80467340	308.214	LQQAIMKRGWJTSS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120072
Brc1cc(CN(C(=O)C2CC3C(C3)C2)C)ccc1	PC-id_80467713	308.214	UDKLUIWFPDVJME-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120073
Brc1c([C@@H](NC(=O)C2CC3C(C3)C2)C)cccc1	PC-id_81397184	308.214	KQXRKNZTWNKYOT-ZLMIFYAYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120074
Brc1c([C@H](NC(=O)C2CC3C(C3)C2)C)cccc1	PC-id_81397615	308.214	KQXRKNZTWNKYOT-QBWABLMJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120075
Brc1c(CN(C(=O)C2C3C2CCC3)C)cccc1	PC-id_79672741	308.214	RWYFYTPERFCROJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120076
Brc1cc(NC(=O)C2C3C2CCCC3)c(cc1)C	PC-id_79139624	308.214	XKFPRWQFEYDVTP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120077
Brc1cc(NC(=O)C2C3C2CCCC3)ccc1C	PC-id_79172698	308.214	VPEYQSMYJRRVGI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120078
Brc1c(CNC(=O)C2C3C2CCCC3)cccc1	PC-id_79174114	308.214	ZSVRIOZZBWDTIG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120079
Brc1c(CN(C(=O)C2CC3C(C3)C2)C)cccc1	PC-id_80467740	308.214	MAWUIDGDWCZRHK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120080
Brc1c(C(NC(=O)C2CC3C(C3)C2)C)cccc1	PC-id_80472398	308.214	KQXRKNZTWNKYOT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120081
Brc1c(NC(=O)C2C3C2CCC3)c(cc(c1)C)C	PC-id_81630979	308.214	LMXRHKQMVCCMCV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120082
Brc1c(NC(=O)C2C3C2CCCC3)ccc(c1)C	PC-id_79260938	308.214	VNBVFDWNSMKSOI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120083
Brc1c(NC(=O)C2C3C2CCCC3)cccc1C	PC-id_81706059	308.214	GLTGQXQRASROBH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120084
Brc1c(NC(=O)C2C3C2CCCC3)cc(cc1)C	PC-id_82706253	308.214	WXLCNUDXBMOFBJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120085
Brc1c(NC(=O)C2CC3C(C3)C2)c(cc(c1)C)C	PC-id_81523975	308.214	KVZSPQNGIYQEQE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120086
BrCc1ccc(cc1)CNC(=O)C1C2C1CCC2	PC-id_107233778	308.214	UIZISWLNWIMRMY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120087
BrC(c1ccccc1)CNC(=O)C1C2C1CCC2	PC-id_114308417	308.214	JXFODNUKHMIFKR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120088
BrCc1cccc(c1)CNC(=O)C1C2C1CCC2	PC-id_114313140	308.214	YAQGBKKIOHHIBA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120089
BrCc1ccc(cc1)CNC(=O)C1CC2C(C1)C2	PC-id_107233692	308.214	YITNZDLUGNFGMI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120090
BrCc1cccc(c1)CNC(=O)C1CC2C(C1)C2	PC-id_113275293	308.214	NLVPEUYMZMQLDG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120091
BrC(c1ccccc1)CNC(=O)C1CC2C(C1)C2	PC-id_114308460	308.214	BMPMMCODUVWVTP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120092
BrCc1ccc(cc1)NC(=O)C1C2C1CCCC2	PC-id_113274647	308.214	DAMLKKMZQNCOMU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120093
BrCc1cccc(c1)NC(=O)C1C2C1CCCC2	PC-id_114307222	308.214	YGWXXNAOSSRICO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120094
BrCc1ccccc1NC(=O)C1C2C1CCCC2	PC-id_114309604	308.214	QXIGRJPMJFOBQU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120095
BrCCc1ccc(cc1)NC(=O)C1C2C1CCC2	PC-id_113274606	308.214	QCZNCRIXCSUXFA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120096
BrCC(c1ccccc1)NC(=O)C1C2C1CCC2	PC-id_113274763	308.214	XQLIBMHUXTVSGN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120097
BrCCc1ccc(cc1)NC(=O)C1CC2C(C1)C2	PC-id_113274613	308.214	KVRBHDPNJVGFJS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120098
BrCC(c1ccccc1)NC(=O)C1CC2C(C1)C2	PC-id_114311161	308.214	PAIBZYFYSKLFCO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120099
Cc1cc(cc(c1)Br)NC(=O)C1C2C1CCCC2	PC-id_107583796	308.214	HKXXGANBBVNTNQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120100
O=C(C1C2C1CCC2)Nc1ccccc1C(Br)C	PC-id_113275895	308.214	YXQXTIZGHPSTOW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120101
O=C(C1C2C1CCC2)Nc1cc(C)c(c(c1)C)Br	PC-id_107574985	308.214	DRJKNOKEFKCXSB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120102
O=C(C1C2C1CCCC2)Nc1cccc(c1C)Br	PC-id_103717909	308.214	OXTJSXXNAXABSD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120103
O=C(C1CC2C(C1)C2)Nc1ccccc1C(Br)C	PC-id_114315626	308.214	LSEDILWAGNNOKC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120104
O=C(C1CC2C(C1)C2)Nc1cc(C)c(c(c1)C)Br	PC-id_107575094	308.214	OTWIMGKQTCVPRI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120105
CC1CC=CC(=C1F)COC1CC(CC2C1(O2)C)C(C)(C)C	PC-id_163833424	308.215	OFQQZXGNNOIQQZ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-120106
CC(C12SS2(=O)(S1)I)(C)C	SCHEMBL16015574,PC-id_90392162	308.224	GVYJBENGWNYYMI-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-120107
CCCCOC(=O)C1(CC1)C(CC2CC3C[C@@]3(C2(C)C)C)O	PC-id_164818442	308.235	FQKBRJXBUKWMTO-VLVBFLKRSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120108
C[AsH]c1ccc(cn1)OC(C1CC2C(N1C)C2)C	SCHEMBL1769469	308.251	UHHNIHZZBMTDKN-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-120109
C[AsH]c1ccc(cn1)OCCC1CC2C(N1C)C2	SCHEMBL1769472	308.251	OOICYUHUXKRENL-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-120110
O=CNC12CC1(C2)NC(=O)COC1CC(C1)OC(F)(F)F	SCHEMBL21390056,PC-id_139517556	308.254	GPCMUHOTNLOUJH-UHFFFAOYSA-N	00101000000000000000010000000000000000000000000000000000	22-01-120111
Brc1c(CC2(CC3C(C3)C2)CNCC)cccc1	PC-id_80469707	308.257	UGWNBYPWWXPXMT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120112
Brc1cc(CC2(CC3C(C3)C2)CNCC)ccc1	PC-id_80469905	308.257	HWXMNPCGZNXFRN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120113
Brc1ccc(CC2(CC3C(C3)C2)CNCC)cc1	PC-id_80469829	308.257	IWCXFWLLOWVHTN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120114
Brc1ccc(CC(NC)C2C3C2CCCC3)cc1	PC-id_81631112	308.257	QPIQQTONDDHTKV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120115
Brc1ccc(CC(NCC)C2C3C2CCC3)cc1	PC-id_81631202	308.257	YOJVDFRCZUAHTO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120116
Brc1ccc(CC(NCC)C2CC3C(C3)C2)cc1	PC-id_80467728	308.257	PKNQAYGUEYMKAK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120117
Brc1c(cc(C(N)C2C3C2CCCC3)c(c1)C)C	PC-id_81630467	308.257	BMCRHFWYOCNFIS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120118
Brc1c(cc(C(NC)C2C3C2CCC3)c(c1)C)C	PC-id_81630691	308.257	WZYNFJZQNTZVLU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120119
Brc1cc(CC(NC)C2C3C2CCCC3)ccc1	PC-id_81631120	308.257	UWYJSBDAQHERRB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120120
Brc1c(cc(C(NC)C2CC3C(C3)C2)c(c1)C)C	PC-id_80468620	308.257	FTKJSQXZSAJSOU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120121
Brc1cc(CC(NCC)C2C3C2CCC3)ccc1	PC-id_81631208	308.257	AVVAOXMLNPWDPU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120122
Brc1ccc(C(NCC)C2C3C2CCCC3)cc1	PC-id_81624806	308.257	ABWWXTBGFQAUAX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120123
Brc1cc(CC(NCC)C2CC3C(C3)C2)ccc1	PC-id_80467590	308.257	PWHZQJLWIPJJBQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120124
Brc1ccc(C(NCCC)C2C3C2CCC3)cc1	PC-id_81625301	308.257	GSWOJPLAQYELEJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120125
Brc1ccc(C(NCCC)C2CC3C(C3)C2)cc1	PC-id_80468504	308.257	MVZYJHZHLOGRSN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120126
Cc1cc(C)c(c(c1C(C1C2C1CCC2)N)C)Br	PC-id_114249232	308.257	JQFTWOCEIMYTFK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120127
Cc1cc(C)c(c(c1C(C1CC2C(C1)C2)N)C)Br	PC-id_114249245	308.257	SEFPSAVBQPSYRJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120128
CCC(c1ccc(cc1)Br)NC1CCC[C@@H]2[C@H]1C2	PC-id_112740013	308.257	SWRCAKAREHQOTF-UUNGTBAKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120129
CCNC(C1C2C1CCC2)Cc1ccccc1Br	PC-id_115787350	308.257	FVPFPSSDQXKRKL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120130
CCNC(C1CC2C(C1)C2)Cc1ccccc1Br	PC-id_115787012	308.257	IFKPHXZFPGPZCI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120131
CNC(C1C2C1CCCC2)Cc1ccccc1Br	PC-id_115786993	308.257	XZJWQPWUZCHKON-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120132
[O+]12O[C@@]1(C[C@H](O)[C@@H](NC(=O)C)[C@@H]2[C@H](O)[C@H](O)CO)C(=O)O	PC-id_49786951	308.262	XTDTXHPCMMKAJU-YRMXFSIDSA-O	00100000000010000001010000000000000000000000000000000000	22-01-120133
[O+]12OC1(CC(O)C(NC(=O)C)C2C(O)C(O)CO)C(=O)O	PC-id_75293679	308.262	XTDTXHPCMMKAJU-UHFFFAOYSA-O	00100000000010000001010000000000000000000000000000000000	22-01-120134
C=CCO[P+]1([O-])OC[C@@H]2[C@]1(C2)C(=O)OCc1ccccc1	PC-id_100932582	308.266	BPIOREIDPRGCAF-ZRNDULBVSA-N	00100010000000110001010000000000000000000000000000000000	22-01-120135
C=CCO[P+]1([O-])OC[C@H]2[C@@]1(C2)C(=O)OCc1ccccc1	PC-id_100932583	308.266	BPIOREIDPRGCAF-FTLYCJPKSA-N	00100010000000110001010000000000000000000000000000000000	22-01-120136
P1(=O)(OCC2C1(C2)C(=O)OCc1ccccc1)OCC=C	PC-id_85386474	308.266	BPIOREIDPRGCAF-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-120137
[P@@]1(=O)(OC[C@@H]2[C@]1(C2)C(=O)OCc1ccccc1)OCC=C	PC-id_11066788	308.266	BPIOREIDPRGCAF-VWLHBSKXSA-N	00100010000000110001010000000000000000000000000000000000	22-01-120138
COC(=O)C1=CC2C(O2)(C=C1C(=O)OC)CCOC(=O)C=C	PC-id_134915339	308.283	FUTXTSNMAGQNKV-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-120139
O=C(N1CC2C(C1)C2(F)F)Nc1ccnn1Cc1ccco1	EMOLS-id_318706066	308.283	PQPSLHUPPQTHEJ-UHFFFAOYSA-N	00100010101000000001010000000000000000000000000000000000	22-01-120140
COC(=O)c1cc(=NC(=O)C(=O)N2CCO[C@H]3C[C@@H]23)[nH]n1C	ZINC22_2325819068	308.29	QDANDYFWAYUYHP-APPZFPTMSA-N	00100000100010000001010000000000000000000000000000000000	22-01-120141
COC(=O)c1cc(=NC(=O)C(=O)N2CCO[C@H]3C[C@H]23)[nH]n1C	ZINC22_2325819069	308.29	QDANDYFWAYUYHP-CBAPKCEASA-N	00100000100010000001010000000000000000000000000000000000	22-01-120142
COC(=O)c1cc(=NC(=O)C(=O)N2CCO[C@@H]3C[C@H]23)[nH]n1C	ZINC22_2325819070	308.29	QDANDYFWAYUYHP-IONNQARKSA-N	00100000100010000001010000000000000000000000000000000000	22-01-120143
COC(=O)c1cc(=NC(=O)C(=O)N2CCO[C@@H]3C[C@@H]23)[nH]n1C	ZINC22_2325819071	308.29	QDANDYFWAYUYHP-VXNVDRBHSA-N	00100000100010000001010000000000000000000000000000000000	22-01-120144
CC(C)(C)OC(=O)N1C(CC2C1C2)CNC(=O)C(F)(F)F	PC-id_86653638	308.297	HDTHXZJMVIRTHT-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120145
FC(F)(F)C(=O)NCC1N(CC2C1C2)C(=O)OC(C)(C)C	PC-id_76542723,SCHEMBL2931033	308.297	NKNVYKJIHRBWGE-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120146
FC(F)(F)C(=O)NC[C@@H]1N(C[C@H]2[C@@H]1C2)C(=O)OC(C)(C)C	PC-id_57489340	308.297	NKNVYKJIHRBWGE-CIUDSAMLSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120147
FC(F)(F)C(=O)NC[C@H]1N(C[C@H]2[C@@H]1C2)C(=O)OC(C)(C)C	PC-id_59444338,SCHEMBL1338830	308.297	NKNVYKJIHRBWGE-XHNCKOQMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120148
FC(F)(F)C(=O)NC[C@H]1N(C[C@@H]2[C@H]1C2)C(=O)OC(C)(C)C	SCHEMBL2931034,PC-id_59153368	308.297	NKNVYKJIHRBWGE-IWSPIJDZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120149
O=C(N1CCCC(CC1)(O)C(F)(F)F)N[C@@H]1[C@@H]2[C@H]1COC2	EMOLS-id_99125577,MCULE-1659868539	308.297	JTBAHOJHOPVNBM-ZISGXQFKSA-N	00100010000000000100010000000000000000000000000000000000	22-01-120150
O=C(N1[C@H](CNC(=O)C(F)(F)F)C[C@H]2[C@@H]1C2)OC(C)(C)C	SCHEMBL1571996	308.297	HDTHXZJMVIRTHT-VGMNWLOBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120151
O/C(=N/[C@@H]1[C@H]2COC[C@@H]12)/N1CCC[C@](O)(C(F)(F)F)CC1	ZINC22_329373067	308.297	JTBAHOJHOPVNBM-FYLLDIAZSA-N	00100010000000000100010000000000000000000000000000000000	22-01-120152
O/C(=N/[C@@H]1[C@H]2COC[C@@H]12)/N1CCC[C@@](O)(C(F)(F)F)CC1	ZINC22_329373071	308.297	JTBAHOJHOPVNBM-XNDJQWLSSA-N	00100010000000000100010000000000000000000000000000000000	22-01-120153
FC(C1[C@@H]2[C@H]1CN(C2)Cc1[nH]nc(c1)c1ccccn1)(F)F	PC-id_139010307	308.302	QBQRUKMXXCTGHI-BVUQATHDSA-N	00100010100000101001110000000000000000000000000000000000	22-01-120154
FC(F)(F)[C@@H]1[C@H]2CN(Cc3cc(c4ccccn4)n[nH]3)C[C@@H]12	MCULE-6638968741,EMOLS-id_320378699,ZINC22_1776002529	308.302	QBQRUKMXXCTGHI-YABSGUDNSA-N	00100010100000101001110000000000000000000000000000000000	22-01-120155
C1C2C(C2(C(=O)O)F)C(C1NCc1ccccc1)(C(=O)O)N	PC-id_90756242	308.305	LHDUZDGNRABKBJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120156
O(C(=O)C1C2C1CCC2(NC(=O)OCC=C)C(=O)[O-])CC=C	PC-id_22173623	308.307	VJBXXWWQQZCHDG-UHFFFAOYSA-M	00100010000010000000010000000000000000000000000000000000	22-01-120157
CCCCCCCCCCCCCCCC1CCCC2C1O2	PC-id_164801761	308.308	GYZINNTWTIEWTJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120158
CCOC(=O)CCS1(OCC)c2c1c(F)c(c(c2)F)F	PC-id_142728086	308.317	FTEVQPGLWPRXNN-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-120159
O=C1CSC[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2[C@@H]3C(F)(F)F)N1	ZINC22_1875271597	308.32	GAJVNSKDLZRIKF-AKEJEFCPSA-N	00100000000010000001010000000000000000000000000000000000	22-01-120160
O=C1CSC[C@@H](C(=O)N2CCC[C@@H]3[C@H]2[C@@H]3C(F)(F)F)N1	ZINC22_1875271598	308.32	GAJVNSKDLZRIKF-MFDQJXRNSA-N	00100000000010000001010000000000000000000000000000000000	22-01-120161
O=C1CSC[C@@H](C(=O)N2CCC[C@@H]3[C@H]2[C@H]3C(F)(F)F)N1	ZINC22_1875271599	308.32	GAJVNSKDLZRIKF-YIKMNZTOSA-N	00100000000010000001010000000000000000000000000000000000	22-01-120162
O=C1CSC[C@@H](C(=O)N2CCC[C@H]3[C@H](C(F)(F)F)[C@H]23)N1	ZINC22_1875271600	308.32	GAJVNSKDLZRIKF-ZRUAGYDASA-N	00100000000010000001010000000000000000000000000000000000	22-01-120163
C[C@@]1(N)C[C@H]2[C@@H](C[C@H]1[Se]c1ccccc1)C2(C)C	PC-id_101443438	308.321	IXPVQBHSLNIVGI-HLPPOEQASA-N	00100000000010110000010000000000000000000000000000000000	22-01-120164
FC1(F)c2c1cccc2C(O)(c1ccccc1)c1ccccc1	PC-id_14709175	308.321	GKJVCEHBDMAROE-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-120165
CC(=O)N[C@H](C(=O)N1CC[C@H]2[C@H](C1)C2(F)F)c1ccccc1	ZINC22_1875300718	308.323	OJNUCZHCIOOPLH-IHRRRGAJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120166
CC(=O)N[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)C2(F)F)c1ccccc1	ZINC22_1875300719	308.323	OJNUCZHCIOOPLH-MCIONIFRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120167
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Brc1cncc(c1)CN1C(=O)C2C(C1=O)C2(C)C	PC-id_113455688	309.159	CEHVBEORPMARIC-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-120716
C1[C@H]2[C@@H]1[C@@H](C[C@@H]2C(=O)NCC3=NC(=NC=C3)C4=CC=CC=N4)N	MCULE-9639649148,PC-id_154806019,EMOLS-id_317733851	309.159	OBPDBJZYTBQKKO-RFQIPJPRSA-N	00100010000010101001110000000000000000000000000000000000	22-01-120717
CC[C@H](C1[C@H]2[C@@H]1CC(C2)N=[N+]=[N-])NC(=O)C3=CC=C(C=C3)C#N	PC-id_153289053	309.159	VEBMEIHLMUDIKT-JJCQNKCGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120718
NCC1C2C1C(=O)N(C2=O)Cc1cccc(c1)Br	PC-id_115009882	309.159	HNMBWEDZOVUZJG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120719
NCC1C2C1C(=O)N(C2=O)Cc1ccccc1Br	PC-id_115009908	309.159	FEWTXQLTJXJRDX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120720
NCC1C2C1C(=O)N(C2=O)Cc1ccc(cc1)Br	PC-id_115009934	309.159	ZYYGJBGJJIXDEC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120721
CC1C(CCC2(C([I+]2)C/C=C/1O)C)O	PC-id_135014089	309.164	CWSKMXOFWABRFJ-BAQGIRSFSA-O	00100000000000000110010000000000000000000000000000000000	22-01-120722
CCOC(=O)C(C/C(=C/N=C)/NC)N1C2C(O2)CCCC1=O	PC-id_155198926	309.169	ZHQDPZHFARQXBC-KTKRTIGZSA-N	00100000000000000100010000000000000000000000000000000000	22-01-120723
OC(c1sccc1Br)C1CC2C(C1)C2(F)F	PC-id_141638115	309.17	IYUSGRYODXWATF-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-120724
CC1=CC=C(C=C1)N2C(=CC(=N2)C)C(=O)N3C[C@@H]4C[C@@H]4[C@H]3C[NH-]	PC-id_162239878	309.172	ZWOBHFXMGFTRIW-JLJPHGGASA-N	00100010100000110001110000000000000000000000000000000000	22-01-120725
CCC[C@@](CS[C@H]1CC2C(O2)N(C1=O)C)(C=C=C)C(C)C	PC-id_163893638	309.176	QDSDAAHBWQVQFZ-UMAGBFNSSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120726
C1CCC(C1)(C2=CC=CC=C2)C(C(=O)N3C(C[C@H]4C3C4)C#N)N	PC-id_149453314	309.184	YYBDDABMXURRRU-OHVXSQEESA-N	00100010000000110000110000000000000000000000000000000000	22-01-120727
ClC1(Cl)C2C1CC(C(C2)C(=O)OCC)C(=O)OCC	PC-id_11120418	309.186	FXGHCPITGICPJZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120728
CC1=CN=C(C=C1)CCC23CC2(C3)CCC4=CC(=C(C=C4)C)F	PC-id_153392124	309.189	JKNHXAZQEWBAIP-UHFFFAOYSA-N	00101000000000111000010000000000000000000000000000000000	22-01-120729
CCN(C1CC(C2C1C2)F)C3=CC=CC(=C3)C4=CC=CC(=C4)C	PC-id_154683262	309.189	QUMPAUZAFCTEPY-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-120730
Fc1c(OC(=O)C2N3OC3CCC2)c(F)c(F)c(F)c1F	PC-id_57215233	309.189	BBSQGKJUFAKOQX-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-120731
OC(=O)C1N(CC2C1C2(C)C)C(=O)C(N[B]OC)C(C)(C)C	PC-id_77826695	309.189	UAAOJEONQWFFPQ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120732
OC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@@H](N[B]OC)C(C)(C)C	PC-id_70333038	309.189	UAAOJEONQWFFPQ-XWLWVQCSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120733
CCC1C[C@@]1(C(=O)OCC)NC(=O)OC1(C2C1CCCC2)C	PC-id_163997325	309.194	UFVZTZSABRBSGL-COCYGOQVSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120734
CC(C)(C)OC(=O)N(C[C@H]1[C@@H]2C1C=CC2)C(=O)OC(C)(C)C	PC-id_155231291	309.194	SHYWUIAUVFJHRU-LWNNLKQOSA-N	00100011000000000000010000000000000000000000000000000000	22-01-120735
CC(C)(C)OC(=O)N(C[C@H]1[C@@H]2[C@H]1C=CC2)C(=O)OC(C)(C)C	PC-id_151847511	309.194	SHYWUIAUVFJHRU-FRRDWIJNSA-N	00100011000000000000010000000000000000000000000000000000	22-01-120736
CC[C@@H]([C@@]12CC1CCN2C(=O)OC(C)(C)C)C1(CC1)C(=O)O	PC-id_163958160	309.194	SFFBCTYLIYAFNS-MYGFZHQOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-120737
CCOCCOCCNC(=O)OCC1[C@H]2[C@@H]1CCC#CCC2	PC-id_148332491	309.194	LFBKRMHMWOKPHM-XYPWUTKMSA-N	00100000000000000110010000000000000000000000000000000000	22-01-120738
CCOC(=O)N(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2	PC-id_164090651	309.194	XFTYYJGDFPKMMG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120739
Brc1cc(CCC23OC2(CCCC3=O)C)ccc1	PC-id_56590836	309.198	VFXJMTHLLPEUAJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120740
Brc1ccc(C(C2(CC3C(C3)C2)C(=O)O)C)cc1	PC-id_81711324	309.198	LRNNAMLUICLOCG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120741
Brc1cc(C(=O)C2C3C2CCC3)c(OC)cc1C	PC-id_81624763	309.198	NRHJYDSVTKSTOC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120742
Brc1cc(C(=O)C2C3C2CCC3)c(OCC)cc1	PC-id_81624757	309.198	YFXRQGFEIZMDOM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120743
Brc1cc(C(=O)C2C3C2CCCC3)ccc1OC	PC-id_81625265	309.198	VRMAOXLYZLCXNA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120744
Brc1cc(C(=O)C2C3C2CCCC3)c(OC)cc1	PC-id_81623917	309.198	DLTYWCPZTPJOKL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120745
Brc1cc(C(=O)C2CC3C(C3)C2)c(OC)cc1C	PC-id_80466951	309.198	MRBSMQFKMPTFLI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120746
Brc1cc(C(=O)C2CC3C(C3)C2)c(OCC)cc1	PC-id_80467031	309.198	DEBQOCJKRGWBQW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120747
Brc1c(C(=O)C2C3C2CCC3)ccc(OCC)c1	PC-id_81623929	309.198	AOMAAHFVBINXIK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120748
Brc1c(C(=O)C2C3C2CCCC3)ccc(OC)c1	PC-id_81624565	309.198	ZWDMYHFHSIGPND-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120749
Brc1c(C(=O)C2CC3C(C3)C2)ccc(OCC)c1	PC-id_80467196	309.198	SVJMVPGKQWGASB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120750
CCOc1ccc(cc1Br)C(=O)C1C2C1CCC2	PC-id_104656943	309.198	AEJZRFAUOZYKRO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120751
CCOc1ccc(cc1Br)C(=O)C1CC2C(C1)C2	PC-id_113437997	309.198	IQINNOYSVSREKZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120752
COc1ccc(cc1Br)CC(=O)C1C2C1CCC2	PC-id_113656249	309.198	GBQHPICIYVTLGK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120753
COc1ccc(cc1Br)CC(=O)C1CC2C(C1)C2	PC-id_114964669	309.198	HQHCEKWFGSKEJJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120754
COc1ccc(c(c1)CC(=O)C1C2C1CCC2)Br	PC-id_113657438	309.198	PAESHVHCFKQHKO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120755
COc1ccc(cc1CC(=O)C1C2C1CCC2)Br	PC-id_114964617	309.198	UWICSCGORXEYSS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120756
COc1ccc(cc1CC(=O)C1CC2C(C1)C2)Br	PC-id_114964551	309.198	ZJEPTIMFWYXFFY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120757
COc1ccc(c(c1)CC(=O)C1CC2C(C1)C2)Br	PC-id_114973604	309.198	TXUZJFKHXPHPGK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120758
Brc1ccc(cc1)CN(C(=O)[C@@H]1C[C@@H]2[C@H](N1)C2)C	MCULE-2242295980,EMOLS-id_318367696	309.202	AUGUGFYPNYDHAP-RTXFEEFZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120759
Brc1cccc(c1)CN(C(=O)[C@@H]1C[C@@H]2[C@H](N1)C2)C	MCULE-3942491954,EMOLS-id_318234139	309.202	PHBVAQGKBWOBKC-RTXFEEFZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120760
Brc1cccc(c1)NC1(CCCC2C1C2)C(=O)N	PC-id_112740286	309.202	XAAYPXOMDPNQNW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120761
Brc1ccc(c(c1)N)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_319728074	309.202	WLDBQJSWLTVWGS-HCTSQKMQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120762
Brc1ccc(c(c1)N)N(C(=O)C1C2C1CCC2)C	PC-id_105603689	309.202	WYGGZTLWRNPULH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120763
Brc1ccc(c(c1)N)N(C(=O)C1CC2C(C1)C2)C	PC-id_105603793	309.202	YLMOCMGSQXIAEA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120764
Brc1cc(c(NC(=O)C2C3C2CCC3)c(N)c1)C	PC-id_81623353	309.202	WLYHYXSLQXZOIV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120765
Brc1c(cc(NC(=O)C2C3C2CCCC3)nc1)C	PC-id_79885005	309.202	YLCLDETVQBTCBJ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-120766
Brc1cc(c(NC(=O)C2C3C2CCCC3)nc1)C	PC-id_81489032	309.202	WZFUIFRJBQRLLX-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-120767
Brc1cc(c(NC(=O)C2CC3C(C3)C2)c(N)c1)C	PC-id_80466161	309.202	GOAIIORJJVMWOD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120768
Brc1cc(N)c(NC(=O)C2C3C2CCCC3)cc1	PC-id_81623777	309.202	DOJNLZKRFBUNNH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120769
Brc1cc(NC(=O)C2C3C2CCCC3)ccc1N	PC-id_82862145	309.202	WFNRTIHGSRWWHD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120770
Brc1c(C(=O)N2C(C3C(C3)C2)CN)ccc(c1)C	PC-id_68445497,SCHEMBL2931197	309.202	ZLBALIOGRZVMFR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120771
Brc1c(C(=O)N2C(C3C(C3)C2)CN)cccc1C	PC-id_77501058	309.202	KRFAOOSKEGVIIR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120772
Brc1c(C(=O)N2C(C3C(C3)C2)CN)cc(cc1)C	PC-id_77501346	309.202	VKCKBGSMOVTMBM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120773
Brc1c(C(=O)N2[C@H]([C@@H]3[C@@H](C3)C2)CN)ccc(c1)C	PC-id_57489352	309.202	ZLBALIOGRZVMFR-GAFUQQFSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120774
Brc1c(C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)CN)ccc(c1)C	PC-id_59153403,SCHEMBL2931198	309.202	ZLBALIOGRZVMFR-IRUJWGPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120775
Brc1c(C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)CN)cccc1C	PC-id_68443635,SCHEMBL2926435	309.202	KRFAOOSKEGVIIR-YUSALJHKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120776
Brc1c(C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)CN)cc(cc1)C	PC-id_68445639,SCHEMBL2931509	309.202	VKCKBGSMOVTMBM-GIPNMCIBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120777
Brc1c(N)cc(NC(=O)C2C3C2CCCC3)cc1	PC-id_81622716	309.202	CIVMJLMSPRTDLL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120778
Brc1c(nc(NC(=O)C2C3C2CCCC3)cc1)C	PC-id_79885535	309.202	NKHOILWICHGZGB-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-120779
Brc1c(NC(=O)C2C3C2CCCC3)ccc(N)c1	PC-id_81623001	309.202	GWPCDVNDJBMONW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120780
Brc1c(NC(=O)C2C3C2CCCC3)cc(N)cc1	PC-id_81622718	309.202	AXKZAWXPFXCGHQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120781
Cc1cc(N)c(c(c1)Br)NC(=O)C1C2C1CCC2	PC-id_116813417	309.202	CAFUCVUSJJBPCS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120782
Cc1cc(N)c(c(c1)Br)NC(=O)C1CC2C(C1)C2	PC-id_116813661	309.202	DMMFXNSRXONUQW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120783
CCc1cc(ccc1Br)C(=O)N[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_319702217	309.202	BZLSSRIMXFJQRZ-PJXYFTJBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120784
O=C([C@]12CCC[C@H]1[C@@H]2Br)NCCc1ccccn1	EMOLS-id_177319577,MCULE-7225898875	309.202	XMZKOQAMHSEBDN-SGMGOOAPSA-N	00100010000010101000010000000000000000000000000000000000	22-01-120785
O=C(C1C2C1CCC2)Nc1cc(Br)cc(c1N)C	PC-id_120343538	309.202	GJGGSQKFMABDEC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120786
O=C(C1C2C1CCC2)Nc1cc(N)c(cc1Br)C	PC-id_113456236	309.202	NNKYXZHCIYNBKI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120787
O=C(C1C2C1CCCC2)Nc1ccc(nc1C)Br	PC-id_103909617	309.202	YELXZEKCNYXCAP-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-120788
O=C(C1C2C1CCCC2)Nc1cnc(c(c1)C)Br	PC-id_113384032	309.202	ZQJOJPKCYSNSIH-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-120789
O=C(C1CC2C(C1)C2)Nc1cc(N)c(cc1Br)C	PC-id_113456232	309.202	LXQIIISNOBLXPO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120790
O=C(C1CCC2C(C1)C2)NCc1cncc(c1)Br	EMOLS-id_317921909	309.202	WZHLBUUZPHDPOY-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-120791
O=C(C1CCCC2C1C2)NCc1cncc(c1)Br	MCULE-4618711844,EMOLS-id_317955516	309.202	AFAPFWNWQFWPTK-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-120792
O=C(Cc1cc(Br)cc(n1)C)NC1CC2C(C1)C2	MCULE-9195950870,EMOLS-id_319902045	309.202	VLZGUIDXVVXCRP-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-120793
O=C(Cc1cc(Br)cc(n1)C)NC1CCC2C1C2	EMOLS-id_319033268	309.202	FTXXRTNMDPQHIZ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-120794
O=C(N[C@@]12CCC[C@@H]1C2)Cc1cc(Br)cc(n1)C	EMOLS-id_320084464,MCULE-6816374672	309.202	JFAIZGLEPCBZTM-QMTHXVAHSA-N	00100010000010101000010000000000000000000000000000000000	22-01-120795
O=C(Nc1cc(C)cnc1Br)CC1CCC2C1C2	EMOLS-id_317965899	309.202	JQABCQXMICRFPV-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-120796
O=C(N(Cc1ccccc1Br)C)[C@@H]1C[C@@H]2[C@H](N1)C2	MCULE-2951951864,EMOLS-id_318218210	309.202	ZOJVBXVXFBTWAA-RTXFEEFZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120797
CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)NC(CC3CCC3)C(C(=O)N)O)C	PC-id_161650085	309.205	LFMVLSRXXJDNAK-OBXMVCJZSA-N	00101010000000000000010000000000000000000000000000000000	22-01-120798
ClC(Cl)(C(=O)OCCC(C1CC2OC2(CC1)C)C)C	PC-id_57098826	309.229	PSOAKCYTZKCHBF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120799
Brc1c(cc(C(O)C2C3C2CCCC3)c(c1)C)C	PC-id_81643482	309.241	RGAFGHPXKOMTQF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120800
BrC(C1C2C1CCC2)c1ccc(cc1)CCOC	PC-id_81636655	309.241	ZDIMXOSWABSLPQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120801
BrC(C1C2C1CCC2)c1cc(c(OC)c(c1)C)C	PC-id_83067768	309.241	KVMDONBOYZJYGX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120802
BrC(C1C2C1CCC2)c1ccc(OC(C)C)cc1	PC-id_81637992	309.241	LYIPBUQDZDAFON-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120803
BrC(C1C2C1CCC2)c1c(OCC)ccc(c1)C	PC-id_81636804	309.241	MOKTWUKUCKUMAK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120804
BrC(C1C2C1CCCC2)c1cc(c(OC)cc1)C	PC-id_81637135	309.241	GBQZHAAMQNSHPG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120805
BrC(C1C2C1CCCC2)c1c(cc(OC)cc1)C	PC-id_81637985	309.241	BEFUXGWYFOQSEK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120806
BrC(C1C2C1CCCC2)c1ccc(OCC)cc1	PC-id_81638143	309.241	DCFJAWZZOXDOFX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120807
BrC(C1C2C1CCCC2)c1c(OC)ccc(c1)C	PC-id_81636511	309.241	DQPBGMSBAQPXSP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120808
BrC(C1C2C1CCCC2)Cc1ccc(OC)cc1	PC-id_81638395	309.241	UOOBPRYZVPPTKL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120809
BrC(C1C2C1CCCC2)Cc1cc(OC)ccc1	PC-id_81637049	309.241	UMQMTNCLXFIJKC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120810
BrC(C1C2C1CCCC2)Cc1c(OC)cccc1	PC-id_81637372	309.241	STRPGJBYSDCPRZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120811
BrC(C1CC2C(C2)C1)c1ccc(cc1)CCOC	PC-id_80470708	309.241	RRTIRUMNQCOKEN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120812
BrC(C1CC2C(C2)C1)c1cc(c(OC)c(c1)C)C	PC-id_83068300	309.241	WDDOUIPCXSZUFK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120813
BrC(C1CC2C(C2)C1)c1ccc(OC(C)C)cc1	PC-id_80469292	309.241	WZILGNRLNICCDH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120814
BrC(C1CC2C(C2)C1)c1c(OCC)ccc(c1)C	PC-id_80469528	309.241	KDNKLKUIBOBSME-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120815
BrCC1(CC2C(C2)C1)Cc1c(OC)ccc(c1)C	PC-id_80473362	309.241	QSHOYHCQFKNPIP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120816
BrCC1(CC2C(C2)C1)CCCOc1ccccc1	PC-id_80473530	309.241	WMKWESPTXBFXMW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120817
BrCC1(CCOCc2ccccc2)CC2CC2C1	MCULE-6222811582,EMOLS-id_207582030	309.241	XFPBAPWUXXPKNN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120818
Cc1cc(C)c(c(c1C(C1CC2C(C1)C2)O)C)Br	PC-id_114249290	309.241	QJRPDLZZDOBCLN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120819
CCNC(C1C2C1CCC2)Cc1ccc(cn1)Br	PC-id_113673412	309.245	DXLSDIVTZFWRFN-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-120820
CCNC(C1C2C1CCC2)Cc1cncc(c1)Br	PC-id_105036900	309.245	NMUCHYXEWAPJAW-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-120821
CCNC(C1CC2C(C1)C2)Cc1ccc(cn1)Br	PC-id_105036149	309.245	ZBCVZJBECJRVHK-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-120822
CCNCC1(CC2C(C1)C2)Cc1ccc(cn1)Br	PC-id_113455858	309.245	CNRYBMCFSYIKPZ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-120823
CCNCC1(CC2C(C1)C2)Cc1cncc(c1)Br	PC-id_104810899	309.245	TTYGIQLLLWYWST-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-120824
CCNC(C1CC2C(C1)C2)Cc1cncc(c1)Br	PC-id_113673451	309.245	FHWCMXFFHDLZPZ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-120825
CNC(C1C2C1CCCC2)Cc1ccc(cn1)Br	PC-id_105036138	309.245	GXTATASCMWNBIW-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-120826
CNC(C1C2C1CCCC2)Cc1cncc(c1)Br	PC-id_113673450	309.245	SWVCQBNXLUDYRV-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-120827
NCC1(CCCC2C1C2)Nc1cc(C)ccc1Br	PC-id_112740263	309.245	HVXZZKQPKQHVPE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120828
NNC(C1C2C1CCCC2)Cc1ccccc1Br	PC-id_105283954	309.245	GTVUVFPMDFTEEF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120829
NNC(C1C2C1CCCC2)Cc1ccc(cc1)Br	PC-id_105284440	309.245	YUESOMWDFVINTJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120830
NNC(C1C2C1CCCC2)Cc1cccc(c1)Br	PC-id_105284596	309.245	FHCTWXZTIFERDW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120831
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(O)ccc1F	EMOLS-id_317333901,ZINC22_1704313616,PC-id_135090318,MCULE-4509694727	309.247	JSOHWECUKDXSFU-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120832
OCCC(C12OC(=CCC1C2ON(C)C)P(=O)(O)O)O	PC-id_139397490,SCHEMBL21253903	309.253	KXIZINVEAOPKMQ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-120833
BrCC1(CC2C(C2)C1)CCCS(=O)(=O)CC	PC-id_80473492	309.263	HONUSSRHWHSEBG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120834
BrCC1(CCS(=O)(=O)C(C)C)CC2C(C1)C2	PC-id_106734693	309.263	FNNVMBHHFIHGJV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120835
CCCS(=O)(=O)CCC1(CBr)CC2C(C1)C2	PC-id_106734694	309.263	JBIHXKRXIGKEPP-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120836
O=C(c1noc(c1)c1nnn(c1)C)NC1CC2C(C1)C2(F)F	MCULE-8079514524,EMOLS-id_320147148	309.271	ZGOBZAAFVJBAQB-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-120837
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CCn1c(C)nnn1	MCULE-4543360088,EMOLS-id_317338831,ZINC22_1704337249,PC-id_135118003	309.278	PVDHMLPXOPBQFF-TXEJJXNPSA-N	00100010100000000001010000000000000000000000000000000000	22-01-120838
OC[C@]12C[C@H]1CCCN2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	EMOLS-id_318786020	309.282	PXGJUNQZZVRIQM-MWGHHZFTSA-N	00100000000010000001010000000000000000000000000000000000	22-01-120839
Fc1c(C[C@H](N)C(=O)N2[C@@H]3C(C3)C[C@H]2C#N)cc(F)c(F)c1	PC-id_46870371	309.286	CVBHAKDLOURMHO-LSHDSXHWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120840
Fc1c(CC(N)C(=O)N2C3C(C3)CC2C#N)cc(F)c(F)c1	PC-id_75238315	309.286	CVBHAKDLOURMHO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120841
FC(F)(F)CNC(=O)N1CC2CC2(C1)C#Cc1ccccn1	BindingDB-id_799504,SCHEMBL18810284	309.286	HZRPHMRGXSPNRZ-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-120842
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1c(cccc1F)OC)C(=O)O	PC-id_135112286,MCULE-9928972209,ZINC22_1704325915,EMOLS-id_317375136	309.29	OATHURIXVMFNLM-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120843
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1ccc(cc1OC)F)C(=O)O	MCULE-1671341257,PC-id_135114994,EMOLS-id_317388194,ZINC22_1704324637	309.29	BLYLXXPKEKUQJE-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120844
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cccc(F)c1OC)C(=O)O	EMOLS-id_317381220,MCULE-6544650560,PC-id_135090423,ZINC22_1704306480	309.29	NKRYAPKUGCSSNQ-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120845
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cccc(OC)c1F)C(=O)O	PC-id_135098833,ZINC22_1704306646,MCULE-5772259176,EMOLS-id_317356399	309.29	XHPWNAGUXDIZIG-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120846
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cc(F)ccc1OC)C(=O)O	MCULE-3685283152,ZINC22_1704312880,EMOLS-id_317327490,PC-id_135107786	309.29	ANINHIXQYBHYRS-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120847
FC1(C2C1CC(OCc1ccccc1)C2(N)C(=O)O)C(=O)O	PC-id_72811066	309.29	FHUJXFRDZNFBOI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120848
N[C@@]1(C(=O)O)[C@H](OCc2ccccc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	BindingDB_PC-id_11347391,CHEMBL186214,PC-id_11347391	309.29	FHUJXFRDZNFBOI-ZNLHFFCSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120849
OC(=O)C1C2C1C(C(C2)OCc1ccc(cc1)F)(N)C(=O)O	SCHEMBL19508606	309.29	DVAOHLZTIHXQMR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120850
OC(=O)[C@H]1[C@H]2[C@@H]1[C@]([C@@H](C2)OCc1ccc(cc1)F)(N)C(=O)O	SCHEMBL19508605	309.29	DVAOHLZTIHXQMR-ONQKKCPMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120851
ClC1(Cl)C2([Si](C)(C)C)C1CCCCC2OC(=O)C	PC-id_85094060	309.304	VKUXEPLLECTCNG-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-120852
ClC1(Cl)[C@@]2([Si](C)(C)C)[C@@H]1CCCC[C@@H]2OC(=O)C	PC-id_10018184	309.304	VKUXEPLLECTCNG-SDDRHHMPSA-N	00100000000000000100010000000000000000000000000000000000	22-01-120853
COC1(COC1)c1ccc(cc1)C(=O)N1CC2C(C1)C2(F)F	EMOLS-id_319930344,MCULE-8185940563	309.308	SVQDBMZCMDXHEA-UHFFFAOYSA-N	00101010000000110000110000000000000000000000000000000000	22-01-120854
FC(c1nn(cc1S(=O)(=O)NC1CC2C(C1)C2)C)(F)F	EMOLS-id_102232710	309.308	JOJNPWGSKQRASU-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-120855
FC(Cn1ncc(c1)S(=O)(=O)NC1CC2C(C1)C2)(F)F	EMOLS-id_102230985	309.308	SLZCMZCYIDYLFM-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-120856
C1CCCCCCC2C(C2(C(=O)O)C(=O)O)CCCCCC1	PC-id_155274174	310.214	UWMXJZLMTVEXQN-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-121473
O=C(c1ccc(cc1)C1(O)COC1)NC1CC2C(C1)C2(F)F	EMOLS-id_319198007	309.308	QCOLUEWHMJAKAK-UHFFFAOYSA-N	00101010000010110000110000000000000000000000000000000000	22-01-120857
OC(=O)Cc1cccc(c1)NC(=O)C1CCC2C(C1)C2(F)F	PC-id_146135732	309.308	IJDWXFVMFOWGIT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120858
O=C(O)Cc1cccc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1	ZINC22_1595129934	309.308	IJDWXFVMFOWGIT-KGYLQXTDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120859
O=C(O)Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)c1	ZINC22_1595129935	309.308	IJDWXFVMFOWGIT-RAIGVLPGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120860
O=C(O)Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1	ZINC22_1595129936	309.308	IJDWXFVMFOWGIT-RTXFEEFZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120861
O=C(O)Cc1cccc(NC(=O)[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)c1	ZINC22_1595129937	309.308	IJDWXFVMFOWGIT-WXHSDQCUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-120862
O=C(O)[C@@H]1[C@H]2CN(C(=O)CCCc3c(F)cccc3F)C[C@@H]12	EMOLS-id_316936588,MCULE-8873633163,ZINC22_910801766	309.308	QSFWVEUUIGWUFZ-HBYGRHMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120863
Cc1conc1Cc1noc(n1)CC12CCCCC1C2(F)F	EMOLS-id_319492778	309.311	CNYUOHUAGRZOKU-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-120864
FC1(F)C2C1CC(C2)Cn1cc(n(c1=O)c1noc(c1)C)C	EMOLS-id_318919843	309.311	QTMZCHNBCOXSAF-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-120865
O=C(c1cc(O)nc(C2CC2)n1)N1CC[C@H]2[C@@H](CC1)C2(F)F	ZINC22_1875299064	309.311	XTHVWWWMOQCUDP-AOOOYVTPSA-N	00100000000000100101110000000000000000000000000000000000	22-01-120866
O=C(c1cc(O)nc(C2CC2)n1)N1CC[C@@H]2[C@@H](CC1)C2(F)F	ZINC22_1875299065	309.311	XTHVWWWMOQCUDP-NXEZZACHSA-N	00100000000000100101110000000000000000000000000000000000	22-01-120867
O=C(c1cc(O)nc(C2CC2)n1)N1CC[C@H]2[C@H](CC1)C2(F)F	ZINC22_1875299066	309.311	XTHVWWWMOQCUDP-UWVGGRQHSA-N	00100000000000100101110000000000000000000000000000000000	22-01-120868
C=CCOC(=O)NC1(CCC2C1C2C(=O)OCC=C)C(=O)O	PC-id_22173624,SCHEMBL5841128	309.314	VJBXXWWQQZCHDG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120869
C=CCOC(=O)NC1(CC[C@@H]2C1[C@H]2C(=O)OCC=C)C(=O)O	SCHEMBL6526776	309.314	VJBXXWWQQZCHDG-ZNPWSYNXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120870
C=CCOC(=O)N[C@]1(CC[C@@H]2C1[C@H]2C(=O)OCC=C)C(=O)O	SCHEMBL6527774	309.314	VJBXXWWQQZCHDG-CPXVWFRBSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120871
C=CCOC(=O)N[C@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)OCC=C)C(=O)O	SCHEMBL5840380,PC-id_11426846	309.314	VJBXXWWQQZCHDG-VEABSNGSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120872
C=CC(=O)OC1C2C1N2C(=O)OC1CCCCC1OC(=O)C	SCHEMBL15369048,PC-id_89888422	309.314	KTXMMZZODCZIBY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-120873
Cn1nnc(c1)Cc1noc(n1)CC12CCCCC1C2(F)F	EMOLS-id_319029958	309.314	KBLPNSWVRDVLHM-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-120874
CNCCCN(C)CCCN(C)C1CCCCCC2CC2C1	PC-id_163596125	309.314	GTOPHPCIYWQGAF-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-120875
O(C(=O)C1C2[C@H]1CCC2(NC(=O)OCC=C)C(=O)O)CC=C	PC-id_69813057	309.314	VJBXXWWQQZCHDG-YMPWGHJTSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120876
O(C(=O)C1C2[C@H]1CC[C@@]2(NC(=O)OCC=C)C(=O)O)CC=C	PC-id_69813537	309.314	VJBXXWWQQZCHDG-UDQFVRRFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-120877
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1noc(CC(C)C)n1)C(=O)O	PC-id_135114930,ZINC22_1704325138,EMOLS-id_317352618,MCULE-8769643095	309.318	JCIDTJCRZCEYMK-OKILXGFUSA-N	00100010100000000001010000000000000000000000000000000000	22-01-120878
CC(C)(C)OC(=O)N1C(CC2(C1C2)Cc1nnco1)C(=O)O	PC-id_135318002,SCHEMBL20487814	309.318	LPBGPDGWMCKMPF-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-120879
CC(C)(C)OC(=O)N1[C@@H](C[C@@]2([C@H]1C2)Cc1nnco1)C(=O)O	SCHEMBL20488730,PC-id_135318854	309.318	LPBGPDGWMCKMPF-QIBSRJKCSA-N	00100010100000000001010000000000000000000000000000000000	22-01-120880
C1(C(=O)Nc2cccc(c2)C(F)(F)F)C2C1CCC=CCC2	STOCK3S-52246,MCULE-9481766348,PC-id_2856990,MCULE-9886792320,EMOLS-id_2364434	309.326	HBJYPLARGWZWHA-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-120881
FC(F)(F)c1cccc(NC(=O)C2C3CCC=CCCC23)c1	EMOLS-id_2364434	309.326	HBJYPLARGWZWHA-UPHRSURJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-120882
O=C(C1CC2C(C1)C2)N[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F	EMOLS-id_318816088	309.326	YURBVSQIUKEBBS-CTOJOOGHSA-N	00100010000010110000110000000000000000000000000000000000	22-01-120883
O=C([C@@H]1C[C@H]2[C@@H](C1)C2)N[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F	MCULE-6932885623,EMOLS-id_320022920	309.326	YURBVSQIUKEBBS-SIJPQNPESA-N	00100010000010110000110000000000000000000000000000000000	22-01-120884
O=C([C@@H]1[C@H]2[C@@H]1CCC=CCC2)Nc1cccc(c1)C(F)(F)F	CoCoCo_671208	309.326	HBJYPLARGWZWHA-QDMKHBRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-120885
O=C(Nc1cccc(C(F)(F)F)c1)C1[C@@H]2CCC=CCC[C@@H]12	PC-id_5392613,ZINC22_53097	309.326	HBJYPLARGWZWHA-ZIAGYGMSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-120886
O=C(Nc1cccc(C(F)(F)F)c1)C1[C@H]2CCC=CCC[C@@H]12	ZINC22_101839073	309.326	HBJYPLARGWZWHA-FEDHDSKHSA-N	00100000000000110110010000000000000000000000000000000000	22-01-120887
O=C(Nc1cccc(C(F)(F)F)c1)C1[C@H]2CCC=CCC[C@@H]12	ZINC22_18063373,PC-id_5392612	309.326	HBJYPLARGWZWHA-YIONKMFJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-120888
O=C(Nc1cccc(C(F)(F)F)c1)C1[C@H]2CCC=CCC[C@H]12	ZINC22_18207567,PC-id_39116966	309.326	HBJYPLARGWZWHA-KBPBESRZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-120889
O=C(Nc1cccc(C(F)(F)F)c1)C1[C@H]2CCC=CCC[C@H]12	ZINC22_31906023	309.326	HBJYPLARGWZWHA-FAVCQXFFSA-N	00100000000000110110010000000000000000000000000000000000	22-01-120890
O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@H]2CCC=CCC[C@@H]12	ZINC22_239308882,CoCoCo_671207	309.326	HBJYPLARGWZWHA-FICVDOATSA-N	00100000000000110110010000000000000000000000000000000000	22-01-120891
O=C(C1(COC1)CS(=O)(=O)C)NC1CC2C(C1)C2(F)F	EMOLS-id_319709750	309.329	HLAVUCKDUGNPFT-UHFFFAOYSA-N	00101010000010000000010000000000000000000000000000000000	22-01-120892
CCOC(=O)CC(=O)C(NC(=O)C1=CC2(C(C=C1)(C2)C)F)C	PC-id_144102973	309.333	QWOFOXOSTVMPJU-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-120893
Cc1ccc(cc1)S(=O)(=O)OC1CC(=CC2C1N2)C(=O)O	PC-id_87758916	309.338	DTKUJNAVLDPHQV-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-120894
CS(=O)(=O)c1cccc(c1)C(=O)N1C2CC2CC1C(=O)O	PC-id_137544790,SCHEMBL20791548	309.338	HKWVATAFAZYGFQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120895
CS(=O)(=O)c1cccc(c1)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)O	PC-id_137543661,SCHEMBL20790369	309.338	HKWVATAFAZYGFQ-YUSALJHKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120896
O=C(N1C2C[C@@H]2C[C@@H]1C(=O)O)c1cccc(c1)S(=O)(=O)C	PC-id_138466538,SCHEMBL20811577	309.338	HKWVATAFAZYGFQ-WSXXKJPRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120897
O=C(N1[C@@H]2CC2C[C@@H]1C(=O)O)c1cccc(c1)S(=O)(=O)C	SCHEMBL20811670,PC-id_138466624	309.338	HKWVATAFAZYGFQ-JZXPMDSESA-N	00100010000000110000010000000000000000000000000000000000	22-01-120898
OC(=O)C1C2C1C(CC2S(=O)c1ccccc1)(N)C(=O)O	PC-id_67721270,SCHEMBL8902418	309.338	JKDCNFCUAUEETK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-120899
OC(=O)C1CC2C(N1)(C2)C(=O)c1cccc(c1)S(=O)(=O)C	PC-id_138471568,SCHEMBL20817807	309.338	KHLVHSMMBYAVRN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-120900
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Cc1ccc(c(c1)n1ncc(c1C)C(=O)NC1CCC2C1C2)C	EMOLS-id_318566019	309.405	BFIYFEQOUGCVAA-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121084
Cc1cc(C)cc(c1)n1nc(cc1C)C(=O)NC1CCC2C1C2	EMOLS-id_318484351	309.405	PHVVNKHXCBNKPD-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121085
Cc1cccc(Cn2nccc2NC(=O)C2[C@H]3CCCC[C@H]23)c1	ZINC22_101408500,PC-id_98206822	309.405	DHLQAOJPDSQHCT-HOTGVXAUSA-N	00100000100010110001010000000000000000000000000000000000	22-01-121086
Cc1cccc(Cn2nccc2NC(=O)C2[C@@H]3CCCC[C@@H]23)c1	ZINC22_101408503,PC-id_98206823	309.405	DHLQAOJPDSQHCT-HZPDHXFCSA-N	00100000100010110001010000000000000000000000000000000000	22-01-121087
Cc1cccc(Cn2nccc2NC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c1	ZINC22_240225364	309.405	DHLQAOJPDSQHCT-VQFNDLOPSA-N	00100000100010110001010000000000000000000000000000000000	22-01-121088
Cc1cc(C)n(c2ccccc2CNC(=O)C2[C@@H]3CCC[C@@H]23)n1	PC-id_98342600,ZINC22_102680710	309.405	HKPWJGQZNDUFKT-HZPDHXFCSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121089
Cc1cc(C)n(c2ccccc2CNC(=O)C2[C@H]3CCC[C@H]23)n1	ZINC22_102680708,PC-id_98342599	309.405	HKPWJGQZNDUFKT-HOTGVXAUSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121090
Cc1cc(C)n(c2ccccc2CNC(=O)[C@@H]2[C@H]3CCC[C@@H]23)n1	ZINC22_245304992	309.405	HKPWJGQZNDUFKT-VQFNDLOPSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121091
Cc1nccn1c1ccc([C@H](C)NC(=O)C2[C@H]3CCC[C@H]23)cc1	ZINC22_101555976,PC-id_98220837	309.405	PICHHQBQGDTORU-ZLIFDBKOSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121092
Cc1nccn1c1ccc([C@H](C)NC(=O)C2[C@@H]3CCC[C@@H]23)cc1	ZINC22_230094864,PC-id_100893721	309.405	PICHHQBQGDTORU-JCURWCKSSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121093
Cc1nccn1c1ccc([C@H](C)NC(=O)[C@@H]2[C@H]3CCC[C@@H]23)cc1	ZINC22_246100002	309.405	PICHHQBQGDTORU-DUOKCRBOSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121094
Cc1nccn1c1ccc([C@@H](C)NC(=O)[C@@H]2[C@H]3CCC[C@@H]23)cc1	ZINC22_246100023	309.405	PICHHQBQGDTORU-QTXLCTLRSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121095
Cc1nn(c2ccccc2)c(C)c1CC(=O)N1C[C@H]2C[C@@]2(C)C1	ZINC22_1857689615	309.405	ICAHSXXNEUOYLC-BEFAXECRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121096
Cc1nn(c2ccccc2)c(C)c1CC(=O)N1C[C@H]2C[C@]2(C)C1	ZINC22_1857689617	309.405	ICAHSXXNEUOYLC-DNVCBOLYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121097
Cc1nn(c2ccccc2)c(C)c1CC(=O)N1C[C@@H]2C[C@]2(C)C1	ZINC22_1857689618	309.405	ICAHSXXNEUOYLC-HNAYVOBHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121098
Cc1nn(c2ccccc2)c(C)c1CC(=O)N1C[C@@H]2C[C@@]2(C)C1	ZINC22_1857689621	309.405	ICAHSXXNEUOYLC-KXBFYZLASA-N	00100010100000110001110000000000000000000000000000000000	22-01-121099
Cc1nn(c(C)c1CC(=O)N1CC2CC2(C)C1)c1ccccc1	PC-id_145936651,EMOLS-id_323948129,MCULE-6375305350	309.405	ICAHSXXNEUOYLC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121100
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C[C@H](c1ccc(cc1)n1ccnc1C)NC(=O)C1[C@@H]2[C@H]1CCC2	PC-id_97074771	309.405	PICHHQBQGDTORU-GUPASQGTSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121102
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O=C(C1C2C1CCC2)NCc1ccccc1n1nc(cc1C)C	PC-id_71969518,MCULE-8856837991,EMOLS-id_49111222	309.405	HKPWJGQZNDUFKT-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121115
O=C(C1C2C1CCCC2)Nc1ccnn1Cc1cccc(c1)C	MCULE-9867930235,EMOLS-id_42917224,PC-id_72112762	309.405	DHLQAOJPDSQHCT-UHFFFAOYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-121116
O=C(C1CCC2C(C1)C2)NCc1ccc(cc1)c1cnn(c1)C	EMOLS-id_319175101	309.405	RAWJHZWPWXOPEW-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121117
O=C(C1CCCC2C1C2)NCc1ccc(cc1)c1cnn(c1)C	EMOLS-id_319425757	309.405	WAWPEQKKNXSHMR-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121118
O=C(C1[C@@H]2[C@H]1CCC2)NCc1ccccc1n1nc(cc1C)C	PC-id_97600925	309.405	HKPWJGQZNDUFKT-BYICEURKSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121119
O=C(C1[C@@H]2[C@H]1CCCC2)Nc1ccnn1Cc1cccc(c1)C	PC-id_95784899	309.405	DHLQAOJPDSQHCT-BYICEURKSA-N	00100000100010110001010000000000000000000000000000000000	22-01-121120
O=C(c1cnn(c1Cc1ccccc1)C)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318430607	309.405	XTJYOGCBLABPSY-CKDQBVIESA-N	00100000100010110001010000000000000000000000000000000000	22-01-121121
O=C(N1C2C(C2)CC1C#N)[C@@H](N)C1(CCCC1)c1ccccc1	PC-id_59891421	309.405	YYBDDABMXURRRU-VFMGQYKMSA-N	00100010000000110000110000000000000000000000000000000000	22-01-121122
O=C(N1[C@@H]2[C@@H](C2)CC1C#N)[C@@H](N)C1(CCCC1)c1ccccc1	PC-id_59877285	309.405	YYBDDABMXURRRU-NHFRXMKASA-N	00100010000000110000110000000000000000000000000000000000	22-01-121123
CN(C[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1cnc(nc1)c1ccccn1)C	MCULE-9065653653,EMOLS-id_43082601	309.409	PKYBOMKPQHCILO-PHZGNYQRSA-N	00100010000000101001110000000000000000000000000000000000	22-01-121124
N1(CC2C(C2CN(C)C)C1)Cc1cnc(nc1)c1ncccc1	PC-id_76424354	309.409	PKYBOMKPQHCILO-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-121125
N1(C[C@H]2[C@H](C2CN(C)C)C1)Cc1cnc(nc1)c1ncccc1	PC-id_56888309	309.409	PKYBOMKPQHCILO-MQVJKMGUSA-N	00100010000000101001110000000000000000000000000000000000	22-01-121126
Cc1cccc(c1)C(CNS(=O)(=O)C1C2C1CCCC2)O	EMOLS-id_319688498	309.424	YZBQWCDDPKEOKX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121127
CC(c1ccccc1)(CNS(=O)(=O)C1C2C1CCCC2)O	EMOLS-id_319797659	309.424	USMKRQNESBZKFB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121128
CC[C@@H]([C@@]12CCCC[C@@H]1N2S(=O)(=O)c1ccc(cc1)C)O	PC-id_134884158	309.424	WYSUVVWTFNQQTD-PMRDEQMMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121129
CCOc1ccc(cc1)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318970225	309.424	GUMIBNOYQALNOL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121130
CCOc1ccccc1CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_320325146,MCULE-8516766205	309.424	JGYUKLXUYPWPPN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121131
COc1cc(ccc1C)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318854166	309.424	JGVBRQDJACXCSF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121132
COc1ccc(cc1)CCNS(=O)(=O)C1C2C1CCCC2	MCULE-1171168133,EMOLS-id_320195156	309.424	OUCDVCMGYFFRNY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121133
COc1ccccc1CN(S(=O)(=O)C1C2C1CCCC2)C	EMOLS-id_318782270	309.424	UETKCJCZOOONQX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121134
COc1cccc(c1)CN(S(=O)(=O)C1C2C1CCCC2)C	EMOLS-id_319359196	309.424	RUZBCCDBAPHGLR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121135
COc1cc(C)ccc1CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318908285	309.424	RHKVACVINBDQAF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121136
COc1cc(CNS(=O)(=O)C2C3C2CCCC3)cc(c1)C	EMOLS-id_319713000	309.424	LRMZWELFJCDIFU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121137
COCc1ccccc1CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_320070110,MCULE-3088290827	309.424	MUTZGFRRNQQYFO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121138
Oc1ccc(cc1)CCCNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318986239	309.424	GCHYVVKAFWZJAR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121139
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(cc1)C(C)C	EMOLS-id_319566576	309.424	OPKTXYCQQOIJGI-GDBMZVCRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121140
OCc1ccc(cc1)CCNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318881708	309.424	DXJDPOBGMDNXAP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121141
OCCC12CC(CC1C2(C)C)NS(=O)(=O)c1ccccc1	PC-id_140353876	309.424	XXAKDJBMEJCPES-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121142
OC[C@H](NS(=O)(=O)C1C2C1CCCC2)Cc1ccccc1	EMOLS-id_319685869	309.424	PYNULVNAKKOKNN-JYLOXXHMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121143
S(=O)(=O)(N1C2C1CCCC2(O)C(C)C)c1ccc(cc1)C	PC-id_74425555	309.424	QLEGSEBDLBOFMJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121144
S(=O)(=O)(N1C2(C1C(O)CCC2)C(C)C)c1ccc(cc1)C	PC-id_74425466	309.424	RTRAQWBLEFZIQK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121145
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S(=O)(=O)(NC1C2OC2(CC1)CCCC)c1ccc(cc1)C	PC-id_74425559	309.424	OJURAVHWTBEYRE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-121149
S(=O)(=O)(NC1C2OC2(CCC1)C(C)C)c1ccc(cc1)C	PC-id_74425557	309.424	SLLUHEWTFJVELW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121150
S(=O)(=O)(NC1C(C2C(C2(C)C)C1)CCO)c1ccccc1	PC-id_14507272	309.424	CPPFOSZIKWSYEV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121151
S(=O)(=O)(NC1CC2C(C2CC(O)(C)C)C1)c1ccccc1	PC-id_57232466	309.424	RVVYRHGNFHXWNY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121152
S(=O)(=O)(N[C@@H]1[C@@H]2O[C@@]2(CC1)CCCC)c1ccc(cc1)C	PC-id_25170141	309.424	OJURAVHWTBEYRE-HRCADAONSA-N	00100010000000110000010000000000000000000000000000000000	22-01-121153
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S(=O)(=O)(N[C@H]1[C@@H](C2[C@H](C2(C)C)C1)CCO)c1ccccc1	PC-id_53733575	309.424	CPPFOSZIKWSYEV-DWHDPIQZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121155
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CC1(C)C2C1CN(C2)S(=O)(=O)c1cnn(c1)CC1CCC1	EMOLS-id_320203711,MCULE-4922664403	309.427	CRUZBUAAZLDWAB-UHFFFAOYSA-N	00101010100000000001010000000000000000000000000000000000	22-01-121157
Cc1cnn(c1)C1CCN(C1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_318780750	309.427	QIHDDMIYLAWAAB-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-121158
Cc1nc(CCNS(=O)(=O)C2C3C2CCCC3)nc(c1)C	EMOLS-id_319892340,MCULE-5059165855	309.427	LNJXHCDRVHLDBD-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-121159
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Cn1ccnc1C1CCCN1S(=O)(=O)C1C2C1CCCC2	EMOLS-id_319064479	309.427	FZHURGGNYVPWJI-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-121163
Cn1ccnc1C1CCN(C1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_319478756	309.427	NGVDPYJJIVYYHI-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-121164
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Br[C@@H]1[C@H]2CCN(C[C@@H]12)C(=O)OCc1ccccc1	EMOLS-id_331279419	310.186	BWUGWHKZNMCWRQ-YNEHKIRRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121450
Br[C@@H]([C@H]1N2[C@@H]([C@H]2C(=O)c2ccccc2)CC1)CO	PC-id_11850668	310.186	HXEOHYVGOOYEGE-QHOLHSADSA-N	00100010000000110000010000000000000000000000000000000000	22-01-121451
COC(=O)C1(CCC2C1C2)Nc1cccc(c1)Br	PC-id_112740297	310.186	YXUAABAFWLZZGS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121452
COC(=O)c1cccc(c1)CN1C[C@@H]2[C@H](C1)[C@H]2Br	MCULE-2674615616,EMOLS-id_317354765	310.186	GWGGBKKDGLSEMR-ITGUQSILSA-N	00100010000000110000010000000000000000000000000000000000	22-01-121453
OC[C@]12C[C@H]1CCCN2C(=O)c1ccccc1Br	EMOLS-id_319779261	310.186	CHFBWZRIZCZXGX-QMTHXVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121454
OCC(C1CC[C@H]2N1[C@@H]2C(=O)c1ccccc1)Br	PC-id_101267668	310.186	HXEOHYVGOOYEGE-PRGBLYRQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-121455
OC(=O)C(c1ccccc1Br)N1CCC2C(C1)C2	EMOLS-id_316085988,MCULE-1949322220	310.186	VYSKDXCHJKQFTB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121456
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2C(=O)N3CCC(CC3)O	PC-id_148685008	310.189	NSJDNLPPZFQVQH-FUNVUKJBSA-N	00100010000010000000010000000000000000000000000000000000	22-01-121457
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2NC(=O)C3CCOCC3	PC-id_154760081	310.189	ZISRZOFJYSZRCH-FUNVUKJBSA-N	00100010000010000000010000000000000000000000000000000000	22-01-121458
Brc1cn(C2CC2)c(C(=O)NC2C3C2CNC3)c1	PC-id_43640448	310.19	UGIIMXIYHCCWSQ-UHFFFAOYSA-N	00100010110000000000110000000000000000000000000000000000	22-01-121459
Brc1c(NC(=O)C2C3C2CCCC3)ncc(N)c1	PC-id_81623575	310.19	YRLGRRZXKLDRIZ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-121460
Cc1ccc(nc1NC(=O)C1CC2(C(N1)C2)C)Br	SCHEMBL18555146	310.19	AMVZBYUDNCNVDD-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-121461
Cc1ccc(nc1NC(=O)[C@@H]1C[C@@]2([C@H](N1)C2)C)Br	SCHEMBL18578690	310.19	AMVZBYUDNCNVDD-RWEMILLDSA-N	00100010000000101000010000000000000000000000000000000000	22-01-121462
O=C(c1[nH]nc(c1Br)C1CC1)NC1CC2C(C1)C2	EMOLS-id_102235826	310.19	XJTQHOCUMXNFGY-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-121463
O=C(Nc1cc(Br)cnc1C)NC1CC2C(C1)C2	EMOLS-id_102205981	310.19	GZZYPVVSKHRRAP-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-121464
O=C(Nc1ccc(c(n1)C)Br)NC1CC2C(C1)C2	EMOLS-id_102211606	310.19	RAZRWUIGITVTKZ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-121465
CC[Si](CC)(CC)O[C@H]1CC/C=C(/CC[C@@H]2[C@H](C1=O)O2)C	PC-id_154385387	310.196	GDTFOQOLLHARHY-IYCFBSGCSA-N	00100000000000000110010000000000000000000000000000000000	22-01-121466
CB(N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C)O	PC-id_58845715,SCHEMBL13605064	310.197	FEPJBQFBIYEATJ-XWLWVQCSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-121467
COBN[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C	SCHEMBL8283588	310.197	PPXOXRHDVHKEOE-XWLWVQCSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-121468
OC(=O)C1N(CC2C1C2(C)C)C(=O)C(NB(O)C)C(C)(C)C	PC-id_72442487	310.197	FEPJBQFBIYEATJ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-121469
CC1CN(CC2(C1C2)NC=O)C(=O)N[C@@H](CCC(=C)O)CN	PC-id_163979820	310.2	SXKCLUORGXHZKU-CSAFNITMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-121470
CC1=CC=C(C=C1)CCNC(=O)NCCC23CC2C=C(C=C3)C	PC-id_154692060	310.205	ZAXFYPHWODICEJ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-121471
CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2C)CN3CC4CC4C3	PC-id_154929632	310.216	HBVRBAVZBBOBOV-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121474
C1(C(=O)Nc2ccc(c(Cl)c2)Cl)C2C1CCC=CCC2	CK1691433,PC-id_5287285,EMOLS-id_6753952,TIMTEC584210,MCULE-2405296814,MCULE-8204081483	310.218	YXLCXAKWEZNCML-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121475
C1(C(=O)Nc2ccc(c(Cl)c2)Cl)C2C1C=CCCCC2	MCULE-5591378663,PC-id_2894661,EMOLS-id_177538918	310.218	YKKQZNRTCYTFJV-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121476
Clc1ccc(NC(=O)C2C3CCCCC=CC23)cc1Cl	EMOLS-id_177538918	310.218	YKKQZNRTCYTFJV-HYXAFXHYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121477
Clc1ccc(NC(=O)C2C3CCC=CCCC23)cc1Cl	EMOLS-id_6753952	310.218	YXLCXAKWEZNCML-UPHRSURJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121478
Clc1c(NC(=O)C2C3C2CCC=CCC3)c(Cl)ccc1	PC-id_23825005	310.218	MQDJNKBIXXRXDS-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121479
Clc1c(NC(=O)C2C3C2C=CCCCC3)c(Cl)ccc1	PC-id_4166461	310.218	GXFWBTPPNYHIRI-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121480
Clc1c(NC(=O)[C@@H]2C3[C@@H]2C=CCCCC3)c(Cl)ccc1	PC-id_27554129	310.218	GXFWBTPPNYHIRI-PEMBBPQUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121481
Clc1c(NC(=O)[C@@H]2[C@@H]3[C@@H]2C=CCCCC3)c(Cl)ccc1	PC-id_11896261	310.218	GXFWBTPPNYHIRI-MJVIPROJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121482
Clc1c(NC(=O)[C@H]2[C@@H]3[C@@H]2C=CCCCC3)c(Cl)ccc1	PC-id_11896262	310.218	GXFWBTPPNYHIRI-COPLHBTASA-N	00100000000000110110010000000000000000000000000000000000	22-01-121483
Clc1c(NC(=O)[C@@H]2[C@H]3[C@@H]2C=CCCCC3)c(Cl)ccc1	PC-id_11896263,CoCoCo_6955047	310.218	GXFWBTPPNYHIRI-WDMOLILDSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121484
Clc1c(NC(=O)[C@H]2[C@H]3[C@@H]2C=CCCCC3)c(Cl)ccc1	PC-id_11896264,CoCoCo_6955048	310.218	GXFWBTPPNYHIRI-MISXGVKJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121485
O=C([C@@H]1[C@H]2[C@@H]1CCCCC=C2)Nc1c(Cl)cccc1Cl	CoCoCo_6955049	310.218	GXFWBTPPNYHIRI-UHIISALHSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121486
O=C([C@H]1[C@H]2[C@@H]1CCCCC=C2)Nc1c(Cl)cccc1Cl	CoCoCo_6955050	310.218	GXFWBTPPNYHIRI-SUNKGSAMSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121487
O=C(Nc1ccc(Cl)c(Cl)c1)C1[C@H]2CCC=CCC[C@H]12	ZINC22_18069368,PC-id_51656379	310.218	YXLCXAKWEZNCML-RYUDHWBXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121488
O=C(Nc1ccc(Cl)c(Cl)c1)C1[C@H]2CCC=CCC[C@@H]12	ZINC22_4491427,PC-id_5392566	310.218	YXLCXAKWEZNCML-ODOQXGPZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121489
O=C(Nc1ccc(Cl)c(Cl)c1)C1[C@@H]2CCC=CCC[C@@H]12	ZINC22_51933,PC-id_5392567	310.218	YXLCXAKWEZNCML-VXGBXAGGSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121490
O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H]2CCC=CCC[C@@H]12	ZINC22_247524958	310.218	YXLCXAKWEZNCML-JYAVWHMHSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121491
O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1[C@H]2CCCCC=C[C@H]12	ZINC22_5101568	310.218	YKKQZNRTCYTFJV-SLEUVZQESA-N	00100000000000110110010000000000000000000000000000000000	22-01-121492
O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H]2C=CCCCC[C@@H]12	ZINC22_5101574	310.218	YKKQZNRTCYTFJV-YWPYICTPSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121493
O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@@H]2C=CCCCC[C@@H]12	ZINC22_584904471	310.218	YKKQZNRTCYTFJV-LALPHHSUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121494
O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@@H]2C=CCCCC[C@H]12	ZINC22_584904472	310.218	YKKQZNRTCYTFJV-TYNCELHUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-121495
CC(C)(C)C(=O)NCCC1[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_153560114	310.226	RVWUXQTWKIMQFL-YHWZYXNKSA-N	00100010000000000000010000000000000000000000000000000000	22-01-121496
CC(C)(C)OC(=O)N1CCC(C1)(CNC2CCC[C@H]3[C@@H]2C3)O	PC-id_154796696	310.226	NBXZHOOCXABPPB-YFTKNLTDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-121497
Brc1c(CC2(CC3C(C3)C2)CN)cc(OC)cc1	PC-id_80470183	310.229	KOMDSGDIRFGIJE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121498
Brc1cc(CC2(CC3C(C3)C2)CN)ccc1OC	PC-id_80469609	310.229	YQXZYEAVMWDTIL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121499
Brc1cc(CC2(CC3C(C3)C2)CN)c(OC)cc1	PC-id_80469388	310.229	XYILELFMURNQNV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121500
Brc1ccc(C(C(O)C2C3C2CCC3)CN)cc1	PC-id_81632871	310.229	DMIHEAMPQNRFCX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121501
Brc1ccc(C(C(O)C2CC3C(C3)C2)CN)cc1	PC-id_80472772	310.229	GEOXEDULLFUMNV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121502
Brc1ccc([C@@H](O)CN2CCC3[C@H](C3)CC2)cc1	SCHEMBL14305333,PC-id_71131166	310.229	YYDORCOFBIXLHY-YOYPFHDYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-121503
Brc1cc(C(C(O)C2C3C2CCC3)CN)ccc1	PC-id_81632641	310.229	SXJKDXLCBLVHNF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121504
Brc1cc(C(C(O)C2CC3C(C3)C2)CN)ccc1	PC-id_80472693	310.229	FBRIOWZWRCUOEK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121505
Brc1ccc(C(O)CN2CCC3C(C3)CC2)cc1	PC-id_78029726	310.229	YYDORCOFBIXLHY-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-121506
Brc1cc(C(N)C2C3C2CCC3)c(OC)cc1C	PC-id_81631314	310.229	QRPDRHBCZUAQHL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121507
Brc1cc(C(N)C2C3C2CCC3)c(OCC)cc1	PC-id_81623855	310.229	UJROWLAKQZSLGY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121508
Brc1cc(C(N)C2C3C2CCCC3)ccc1OC	PC-id_81624316	310.229	FJGLHKCSQREISH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121509
Brc1cc(C(N)C2C3C2CCCC3)c(OC)cc1	PC-id_81624496	310.229	QEQXATCERSYBKY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121510
Brc1cc(C(N)C2CC3C(C3)C2)c(OC)cc1C	PC-id_80468683	310.229	KQABUKTUNZPWKZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121511
Brc1cc(C(N)C2CC3C(C3)C2)c(OCC)cc1	PC-id_80467126	310.229	MQAVUPOXFLACGF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121512
Brc1cc(C(NC)C2C3C2CCC3)ccc1OC	PC-id_81624031	310.229	LKLVSIXJQRWHRZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121513
Brc1cc(C(NC)C2C3C2CCC3)c(OC)cc1	PC-id_81623861	310.229	FQRSNVPKAFWGCV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121514
Brc1cc(C(NC)C2CC3C(C3)C2)ccc1OC	PC-id_80467177	310.229	UHKBQNVCOKXPNX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121515
Brc1cc(C(NC)C2CC3C(C3)C2)c(OC)cc1	PC-id_80467206	310.229	IHSVNEWAYFPVMD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121516
Brc1c(C(C(O)C2C3C2CCC3)CN)cccc1	PC-id_81632080	310.229	OQANRKKQPGRNJD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121517
Brc1c(C(C(O)C2CC3C(C3)C2)CN)cccc1	PC-id_80472820	310.229	UDBOOYRUISEAFG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121518
Brc1ccc(OCCC2(CC3C(C3)C2)CN)cc1	PC-id_80469467	310.229	UHKXIGKWIWMNMR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121519
Brc1c(C(N)C2C3C2CCC3)ccc(OCC)c1	PC-id_81631145	310.229	TUZVCWKPLCDWLY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121520
Brc1c(C(N)C2C3C2CCCC3)ccc(OC)c1	PC-id_81630825	310.229	UPNLRPJUBRHFJX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121521
Brc1c(C(N)C2CC3C(C3)C2)ccc(OCC)c1	PC-id_80468472	310.229	MRVNTSWGENRTGD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121522
Brc1c(C(NC)C2C3C2CCC3)ccc(OC)c1	PC-id_81631034	310.229	RAJLCVMOUCYCGG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121523
Brc1c(C(NC)C2CC3C(C3)C2)ccc(OC)c1	PC-id_80468731	310.229	NCRDPWYNXRNQIQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121524
Brc1cc(OCCC2(CC3C(C3)C2)CN)ccc1	PC-id_80469734	310.229	TYKNBDOWORNXBO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121525
CCOc1ccc(cc1Br)C(C1C2C1CCC2)N	PC-id_113438053	310.229	GVSZJDZBBRBPSQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121526
CCOc1ccc(cc1Br)C(C1CC2C(C1)C2)N	PC-id_104657227	310.229	JQBNWDHKOZGIGG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121527
COc1ccc(cc1Br)CC(C1C2C1CCC2)N	PC-id_115817861	310.229	LUJPEUJYYHBHRW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121528
COc1ccc(cc1Br)CC(C1CC2C(C1)C2)N	PC-id_115818079	310.229	HJUILZNHBPLBNJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121529
COc1ccc(cc1CC(C1C2C1CCC2)N)Br	PC-id_115816983	310.229	XRQHJXCPDPONOU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121530
COc1ccc(c(c1)CC(C1C2C1CCC2)N)Br	PC-id_115862194	310.229	RBWSLFGBCDPRAL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121531
COc1ccc(cc1CC(C1CC2C(C1)C2)N)Br	PC-id_115817280	310.229	ZRQYBEYFVLOCGC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121532
COc1ccc(c(c1)CC(C1CC2C(C1)C2)N)Br	PC-id_115862301	310.229	ZMBWHBSBMRYRLQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121533
CC(C1(CC1)n1ncc(c1)Br)NC1CC2C(C1)C2	EMOLS-id_318776908	310.233	SSVLOMPREBTTCX-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-121534
NNC(C1C2C1CCCC2)Cc1ccc(cn1)Br	PC-id_105334603	310.233	TUVUSBAPZQWVNX-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-121535
NNC(C1C2C1CCCC2)Cc1cncc(c1)Br	PC-id_105334807	310.233	LWDFZRRMBZHOFC-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-121536
P(=O)(OC)(OC)CC1OC(OC)(C2OC12)COC(=O)C	PC-id_74830990	310.238	FFBFZFNZJPHKAJ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-121537
P(=O)(OC)(OC)C[C@H]1O[C@](OC)([C@H]2O[C@@H]12)COC(=O)C	PC-id_42631861	310.238	FFBFZFNZJPHKAJ-RCWTZXSCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-121538
FC(F)(F)C1C2N(C(COC12)C(=O)[O-])C(=O)OC(C)(C)C	PC-id_75742562	310.246	LWSDFMTZOOHKNY-UHFFFAOYSA-M	00100000000010000001010000000000000000000000000000000000	22-01-121539
FC(F)(F)[C@H]1[C@@H]2N([C@@H](CO[C@H]12)C(=O)[O-])C(=O)OC(C)(C)C	PC-id_51922116	310.246	LWSDFMTZOOHKNY-DKXJUACHSA-M	00100000000010000001010000000000000000000000000000000000	22-01-121540
FC(F)(F)[C@@H]1[C@@H]2N([C@@H](CO[C@H]12)C(=O)[O-])C(=O)OC(C)(C)C	PC-id_51922118	310.246	LWSDFMTZOOHKNY-FKSUSPILSA-M	00100000000010000001010000000000000000000000000000000000	22-01-121541
FC(F)(F)[C@H]1[C@H]2N([C@@H](CO[C@@H]12)C(=O)[O-])C(=O)OC(C)(C)C	PC-id_51922120	310.246	LWSDFMTZOOHKNY-HSNKUXOKSA-M	00100000000010000001010000000000000000000000000000000000	22-01-121542
FC(F)(F)[C@@H]1[C@H]2N([C@@H](CO[C@@H]12)C(=O)[O-])C(=O)OC(C)(C)C	PC-id_51922122	310.246	LWSDFMTZOOHKNY-OSMVPFSASA-M	00100000000010000001010000000000000000000000000000000000	22-01-121543
CCCCCC1C(CCC2C1O2)CC1C(O1)OCCC(C)C	PC-id_163941356	310.251	RRGIVUCFLUUBEO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-121544
OCC1O[C@@H](O)C(C([C@H]1O)O[C@@H]1OC2O[C@@H]2C(C1O)O)O	PC-id_122596380,SCHEMBL18122119	310.255	OHZFEMIIFNNDGO-IJTMBBKHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-121545
Clc1c(CC2(CC3C(C3)C2)CNC2CC2)ccc(Cl)c1	PC-id_80470774	310.261	DBPJESPOIXQOON-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121546
Clc1c(CC2(CC3C(C3)C2)CNC2CC2)cc(Cl)cc1	PC-id_80470322	310.261	SHZGLDUOVFRCPE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121547
Clc1c(CC2(CC3C(C3)C2)CNC2CC2)c(Cl)ccc1	PC-id_80470449	310.261	INTDLXRHYCKTMS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121548
Clc1cc(CC2(CC3C(C3)C2)CNC2CC2)ccc1Cl	PC-id_80470772	310.261	RRBFYRLWNNTYMS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121549
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Cc1ccc(cc1NC(=O)c1ccco1)C(=O)N1CC2C(C1)C2	EMOLS-id_318633626	310.347	DVIDKFBMGPTCQA-UHFFFAOYSA-N	00100010101000110000010000000000000000000000000000000000	22-01-121638
Cc1oc(c(c1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N)c1ccccc1	PC-id_70864544,SCHEMBL13254699	310.347	OEHVXWCLYKKKHN-QEJZJMRPSA-N	00100010101000110000110000000000000000000000000000000000	22-01-121639
Cc1oc(c(c1)C(=O)N1[C@H]2C[C@@H]2C[C@H]1C(=O)N)c1ccccc1	SCHEMBL13254700,PC-id_70864545	310.347	OEHVXWCLYKKKHN-SNPRPXQTSA-N	00100010101000110000110000000000000000000000000000000000	22-01-121640
COc1ccccc1c1ccc(c(=O)[nH]1)C(=O)N1CC2C(C1)C2	EMOLS-id_318547114	310.347	XCVLQTRDLHXUMV-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-121641
COc1ccc(cc1NC(=O)[C@@]12COC[C@@H]1C2)c1cccnc1	EMOLS-id_320187761,MCULE-8759465749	310.347	MDMHZSFWBWWFTB-KSSFIOAISA-N	00100010000000111000110000000000000000000000000000000000	22-01-121642
COc1ccc(cc1NC(=O)[C@@H]1[C@@H]2[C@H]1COC2)c1cccnc1	EMOLS-id_319801300	310.347	FKOYXOMWYZNFFN-HALDLXJZSA-N	00100010000000111000110000000000000000000000000000000000	22-01-121643
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)c1cocc1	MCULE-7459103673,EMOLS-id_320145477	310.347	GYPGLTHVZQIPGJ-QAPCUYQASA-N	00100000101010110000110000000000000000000000000000000000	22-01-121644
OCC12CN(CC1C2)C(=O)c1ccccc1Oc1cccnc1	EMOLS-id_318801933	310.347	GWQPRCNKPUYFHE-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-121645
OCC12CN(CC1C2)C(=O)c1ccccc1Oc1ccncc1	EMOLS-id_318703269	310.347	VJCFKWIXVAMOHJ-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-121646
O=C(C1C2C1CCC2=O)Nc1ccc(c(c1)c1occ(n1)C)C	EMOLS-id_318563885	310.347	MAIKZQSVQJRXOU-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121647
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O=C(C1C2C1C(=O)CC2)Nc1ccc(cc1)c1oc(c(n1)C)C	EMOLS-id_318521137	310.347	ONXPQPQIMRQDMC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121649
CCNC(c1cc(Br)ccc1F)C1CC2C(C1)C2	PC-id_105011765	312.22	DKROVXHZPZUUFH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122821
O=C(C1C2C1C(=O)CC2)Nc1cccc(c1)c1oc(c(n1)C)C	EMOLS-id_318621194	310.347	JHJKREGAGDEPKT-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121650
O=C(c1ccc(cc1)Cn1cccc1)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)O	MCULE-8686740968,EMOLS-id_318417537	310.347	RTJZVPYDDIHGAH-ZSHCYNCHSA-N	00100010110000110000010000000000000000000000000000000000	22-01-121651
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cnccc1Oc1ccccc1	EMOLS-id_318455968	310.347	PYYUVZHZDWRNGL-KBRIMQKVSA-N	00100000000010111000010000000000000000000000000000000000	22-01-121652
OC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1cccc(c1)Oc1ccccn1	EMOLS-id_318540281	310.347	FGKYAPDEUAEEAG-ZSHCYNCHSA-N	00100010000000111000010000000000000000000000000000000000	22-01-121653
O=C(N1C2C(C2)CC1C(=O)N)c1c(oc(c1)C)c1ccccc1	PC-id_77933066	310.347	OEHVXWCLYKKKHN-UHFFFAOYSA-N	00100010101000110000110000000000000000000000000000000000	22-01-121654
O=C(N1CCCC2C1C2)c1cccc(c1)NC(=O)c1ccco1	EMOLS-id_318411689	310.347	DHQIZZKTDWREOU-UHFFFAOYSA-N	00100000101010110000010000000000000000000000000000000000	22-01-121655
OC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1cccn1Cc1ccccc1	EMOLS-id_318408026,MCULE-8786899390	310.347	KNHABFMFBSTQSG-FOLVSLTJSA-N	00100010110000110000010000000000000000000000000000000000	22-01-121656
CCOC(=O)[C@@H]1C[C@@]2([C@H](N1C(=O)OC(C)(C)C)C2)CN=[N+]=[N-]	PC-id_142420813	310.349	TYHDVPFKPNGMLK-RBZYPMLTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-121657
CCOC(=O)[C@@H]1CC2(C(N1C(=O)OC(C)(C)C)C2)CN=[N+]=[N-]	PC-id_142420913	310.349	TYHDVPFKPNGMLK-IPWFMCSPSA-N	00100010000000000000010000000000000000000000000000000000	22-01-121658
C1[C@@H]2[C@@H](C2NC(=O)c2cc(=O)[nH]nc2)CN1Cc1ccccc1	PC-id_136586445	310.35	UMTSOSGGCMEBGS-MZBDJJRSSA-N	00100010000000110001010000000000000000000000000000000000	22-01-121659
C[C@@]12C[C@H](N[C@@H]1C2)C(=O)Nc1cccn(c1=O)c1ccccn1	PC-id_135318861,SCHEMBL20488739	310.35	XRBSTOHDIOCVHC-AHIWAGSCSA-N	00100010000000101000110000000000000000000000000000000000	22-01-121660
Cc1ccc(nn1)Nc1cccc(c1)C(=O)N1CCOC2C1C2	MCULE-9443450304,EMOLS-id_318712281	310.35	WTOWAIDDBNGPKJ-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-121661
Cc1ccc(nn1)Oc1ccc(cc1)NC(=O)N1CC2C(C1)C2	EMOLS-id_318584742	310.35	NWJIYZRHDDIPNC-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-121662
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NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)c1c[nH]nc1	EMOLS-id_319211988	310.35	LIPGMSQUVXNYTM-PBHICJAKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121665
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)n1cccn1	EMOLS-id_318881342	310.35	WAIGTVVVLCRBNH-DYVFJYSZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121666
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)n1cncc1	EMOLS-id_318965039	310.35	NZQKIBOTZOXOGI-DYVFJYSZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121667
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)n1cncc1	EMOLS-id_319044961	310.35	WMZMPMJSNAZQQA-DYVFJYSZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121668
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(nc1)n1cccc1	EMOLS-id_319788678	310.35	STZVVGDAKAQWCR-DYVFJYSZSA-N	00100000110010101000110000000000000000000000000000000000	22-01-121669
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccnc(c1)n1cccc1	EMOLS-id_319326182	310.35	VBHQZSFMOIELPZ-DYVFJYSZSA-N	00100000110010101000110000000000000000000000000000000000	22-01-121670
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccn(n1)c1ccccc1	EMOLS-id_318787310	310.35	PQWFVGBKSOEJCD-PXAZEXFGSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121671
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1c[nH]c(n1)c1ccccc1	EMOLS-id_319532841	310.35	NWJBRVMXXXPDHZ-PXAZEXFGSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121672
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ncn(c1)c1ccccc1	EMOLS-id_320206603,MCULE-7007402819	310.35	FPMUSINAAUGYDP-PXAZEXFGSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121673
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1n[nH]c(c1)c1ccccc1	EMOLS-id_319018888	310.35	ZWYFJORCNMGDPG-PXAZEXFGSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121674
O=C1CCC2C1C2C(=O)N(c1cncc(c1)C)Cc1ncc[nH]1	EMOLS-id_318636282	310.35	NUFOCQRPEGVWJD-UHFFFAOYSA-N	00100010100000101001010000000000000000000000000000000000	22-01-121675
O(C1(OC)N=C(N)C2(C(C12C#N)(Cc1ccccc1)C)C#N)C	PC-id_78737099	310.35	ZCVJFKPPPNHJEO-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-121676
O(C1(OC)N=C(N)[C@]2([C@@]([C@@]12C#N)(Cc1ccccc1)C)C#N)C	PC-id_8608895	310.35	ZCVJFKPPPNHJEO-HRCADAONSA-N	00100011000000110000010000000000000000000000000000000000	22-01-121677
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OC[C@]12C[C@H]1CCCN2C(=O)c1ccnc(n1)c1ccccn1	EMOLS-id_319113132	310.35	ZKCJGUIWVGXYAE-SJKOYZFVSA-N	00100000000010101001110000000000000000000000000000000000	22-01-121679
OC[C@]12C[C@H]1CCCN2C(=O)c1cnc(nc1)c1ccccn1	EMOLS-id_319462202	310.35	SUAXDKQHDZEGEA-CXAGYDPISA-N	00100000000010101001110000000000000000000000000000000000	22-01-121680
O=C(N1CC2C(C1)C2)Nc1ccc(cc1C)Oc1ncccn1	EMOLS-id_318701351	310.35	IPYCCHGMBGMDHX-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-121681
O=C(N1CC2C(C1)C2)Nc1ccc(cc1)Oc1nccc(n1)C	EMOLS-id_318376428	310.35	QCHMAIDUFVZDAN-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-121682
O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1cnnc(O)c1	MCULE-9571589004,ZINC22_820093312,EMOLS-id_316938426	310.35	UMTSOSGGCMEBGS-FOLVSLTJSA-N	00100010000000110001010000000000000000000000000000000000	22-01-121683
Cc1ccc(cc1)S(=O)(=O)OC1CCC2C1C2C(=O)OC	PC-id_89042839	310.365	NLYKNGTUGIXASO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-121684
C[C@H](C(=O)O[C@H]1CCC[C@@H]2O[C@H]12)S(=O)(=O)c1ccccc1	CoCoCo_5555433,LI_174868	310.365	HEHMTLXAGXTWRH-SAXRGWBVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121685
C[C@H](S(=O)(=O)c1ccccc1)C(=O)O[C@H]1CCC[C@H]2[C@@H]1O2	CoCoCo_5555434	310.365	HEHMTLXAGXTWRH-PYJNHQTQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121686
C[C@@H](S(=O)(=O)c1ccccc1)C(=O)O[C@H]1CCC[C@@H]2[C@H]1O2	CoCoCo_5555435	310.365	HEHMTLXAGXTWRH-RUZUBIRVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121687
C[C@H](S(=O)(=O)c1ccccc1)C(=O)O[C@H]1CCC[C@@H]2[C@H]1O2	CoCoCo_5555436	310.365	HEHMTLXAGXTWRH-AHLTXXRQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121688
C[C@@H](S(=O)(=O)c1ccccc1)C(=O)O[C@@H]1CCC[C@H]2[C@@H]1O2	CoCoCo_5555437	310.365	HEHMTLXAGXTWRH-CABNGKKXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121689
C[C@H](S(=O)(=O)c1ccccc1)C(=O)O[C@@H]1CCC[C@H]2[C@@H]1O2	CoCoCo_5555438,NSC245517	310.365	HEHMTLXAGXTWRH-DEQVHRJGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121690
C[C@@H](S(=O)(=O)c1ccccc1)C(=O)O[C@@H]1CCC[C@@H]2[C@H]1O2	CoCoCo_5555439	310.365	HEHMTLXAGXTWRH-FMKGYKFTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121691
C[C@H](S(=O)(=O)c1ccccc1)C(=O)O[C@@H]1CCC[C@@H]2[C@H]1O2	CoCoCo_5555440	310.365	HEHMTLXAGXTWRH-IGHBBLSQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121692
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CS(=O)(=O)c1ccccc1COC(=O)[C@@H]1[C@H]2CCCO[C@@H]12	ZINC22_365685857	310.365	HQUVXAYSNMSJQJ-MRVWCRGKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121695
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Fc1c(c2c(C(=O)N3C(C4C(C4)C3)CN)cccc2)cccc1	PC-id_77500952	310.365	IEOTXSLDCFYENY-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-121699
Fc1c(c2c(C(=O)N3[C@@H]4[C@@H](C4)C[C@H]3CN)cccc2)cccc1	SCHEMBL1572560,PC-id_67081615	310.365	MUFAPVOEYKGQMC-VBHSOAQHSA-N	00100010000000110000110000000000000000000000000000000000	22-01-121700
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C1[C@H]2[C@H](O2)C(C1OCc1ccccc1)COCc1ccccc1	PC-id_137705514	310.387	YPDRJNPIGFCETD-GHBBCFCZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-121817
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CCCc1cc(Oc2cc(CCC)c(c3c2O3)C)c2c(c1C)O2	PC-id_141083033	310.387	ILVOHXGMSJZABF-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-121819
CCCCC(c1ccc(c2c1O2)Cc1ccccc1)C(=O)OC	PC-id_140343371	310.387	KDTBXYUZXJREHQ-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-121820
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[C@@H]12O[C@@H]1[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)C2	EMOLS-id_48669425,MCULE-6239177260,PC-id_101035633	310.387	YPDRJNPIGFCETD-ZGXWSNOMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-121822
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O1C2C1CC(OCc1ccccc1)CC2OCc1ccccc1	PC-id_85313372	310.387	FAKXWLYHSOTSOT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121827
O1[C@H]2[C@@H]1C[C@H](OCc1ccccc1)C[C@H]2OCc1ccccc1	PC-id_10913922	310.387	FAKXWLYHSOTSOT-YSTOQKLRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-121828
C1(CO)(CO)C2C1CN(C(=O)CCN1CCCCCC1=O)C2	MCULE-6394633789,PC-id_137345775,EMOLS-id_317472880	310.389	HEMDXFJAQQBZBZ-UHFFFAOYSA-N	00100010000000000100010000000000000000000000000000000000	22-01-121829
CC1(C2C1CN(C2)C(=O)NCC1(CCOCC1)C(=O)OC)C	PC-id_136522141,MCULE-6690904198,EMOLS-id_110986679	310.389	ILFJBLTZKPUIMI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-121830
CCC1CCCC(C1)NC(=O)[C@@H]1C[C@]2(C[C@H]2N1C(=O)O)CO	SCHEMBL20559988,PC-id_135378429	310.389	HHSQHAMSVIFFQV-WSJRWKCISA-N	00100010000010000000010000000000000000000000000000000000	22-01-121831
CC(C)C(C(=O)N1CC2CC2(C1)C=O)NC(=O)OC(C)(C)C	PC-id_89298415	310.389	NEMNVHMATSQXPL-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-121832
CC(C[C@@H](C(=O)O)NC(=O)CNC(=O)C1C2C1CCCC2)C	PC-id_120695198	310.389	KWAVJGOLCKQYOS-VPTICVGPSA-N	00100000000010000000010000000000000000000000000000000000	22-01-121833
CC(C)(C)OC(=O)N1[C@@H](C[C@@]2([C@H]1C2)CN(C)CC=C)C(=O)O	PC-id_135318758,SCHEMBL20488613	310.389	AIKYJQLHMKPEFV-OZVIIMIRSA-N	00100010000000000000010000000000000000000000000000000000	22-01-121834
CN(CC(=O)O)CC1OCCN(C1)C(=O)C1C2C1CCCC2	PC-id_120441636	310.389	IWQSLRAJTTZCAS-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-121835
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COc1ccc(cc1)S(=O)(=O)N1CC2C(C1)C2N=C=S	PC-id_21255360,SCHEMBL7904340	310.392	NILAEBNCGOHABF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-121859
Cc1cccc(c1)n1nnc(c1C)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111162161	310.393	QWQICZBYVJPPOX-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121860
Cc1cccc(c1)n1nnc(c1C)C(=O)NC1CCCC2C1C2	EMOLS-id_318183003	310.393	AQBRURXGIOCGJZ-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121861
Cc1ccc(cc1)n1nnc(c1C)C(=O)NC1CCCC2C1C2	EMOLS-id_318280983	310.393	XZBPILULRIVPGN-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121862
Cc1ccc(cc1)n1nnc(c1C)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318452780	310.393	XZBPILULRIVPGN-YISXUXMPSA-N	00100000100010110001110000000000000000000000000000000000	22-01-121863
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Cc1ccc(cc1)N(C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)Cc1cnn(c1)C	MCULE-9117659267,EMOLS-id_318543679	310.393	XGEMDNJSSSQNCI-FVQHAEBGSA-N	00100010100000110001010000000000000000000000000000000000	22-01-121865
Cc1nn(c(c1)C)c1ccc(cn1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111162203	310.393	LULWEBSKACWKNI-UHFFFAOYSA-N	00100010100000101001110000000000000000000000000000000000	22-01-121866
Cc1nn(c(c1)C)c1ccc(cn1)C(=O)NC1CCCC2C1C2	EMOLS-id_318561200	310.393	XOGVWBGBIBFIPF-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-121867
Cc1nn(c(c1)C)c1ccc(cn1)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318584047	310.393	XOGVWBGBIBFIPF-YISXUXMPSA-N	00100000100010101001110000000000000000000000000000000000	22-01-121868
CC[C@]12C[C@H]1CN(C(=O)Nc1cccc(Cn3ccnc3)c1)C2	ZINC22_1875306607	310.393	MANJOVQEZUCSQZ-MAUKXSAKSA-N	00100010100000110001010000000000000000000000000000000000	22-01-121869
CCc1c(cnn1c1ccccc1C)NC(=O)N1CC2C(C1)C2	EMOLS-id_318733855	310.393	OHNXLJBIDKHTJQ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121870
CC(c1c(cnn1c1ccccn1)C(=O)N1CCCC2C1C2)C	MCULE-1011239750,EMOLS-id_177233907	310.393	DLLUDVJXTXPMLC-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-121871
CCc1c(nc[nH]1)C(=O)NC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1	PC-id_136586451	310.393	AWWMEXADAUYAGC-MZBDJJRSSA-N	00100010100000110001010000000000000000000000000000000000	22-01-121872
CC(c1cnn(c1C)c1ccccc1)NC(=O)N1CC2C(C1)C2	EMOLS-id_318477567	310.393	XXZLMZQFUSMYBV-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121873
CCc1nc[nH]c1C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12	ZINC22_820099282,EMOLS-id_316937403,MCULE-6670969597	310.393	AWWMEXADAUYAGC-FOLVSLTJSA-N	00100010100000110001010000000000000000000000000000000000	22-01-121874
CCc1[nH]nc(n1)c1ccc(cc1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_317945293	310.393	QVMXYHDJGCYRNW-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121875
CC(C)c1c(C(=O)N2CCC[C@H]3C[C@@H]23)cnn1c1ccccn1	ZINC22_585082207	310.393	DLLUDVJXTXPMLC-DZGCQCFKSA-N	00100000100010101001110000000000000000000000000000000000	22-01-121876
CC(C)c1c(C(=O)N2CCC[C@@H]3C[C@H]23)cnn1c1ccccn1	ZINC22_585082208	310.393	DLLUDVJXTXPMLC-HIFRSBDPSA-N	00100000100010101001110000000000000000000000000000000000	22-01-121877
CC(C)c1c(C(=O)N2CCC[C@@H]3C[C@@H]23)cnn1c1ccccn1	ZINC22_585082209	310.393	DLLUDVJXTXPMLC-UKRRQHHQSA-N	00100000100010101001110000000000000000000000000000000000	22-01-121878
CC(C)c1c(C(=O)N2CCC[C@H]3C[C@H]23)cnn1c1ccccn1	ZINC22_585082210	310.393	DLLUDVJXTXPMLC-ZFWWWQNUSA-N	00100000100010101001110000000000000000000000000000000000	22-01-121879
CC(C)(NC(=O)C1[C@H]2CCC[C@H]12)c1cn(c2ccccc2)nn1	ZINC22_101577617,PC-id_98221693	310.393	FGEHOCSVNHHPID-KBPBESRZSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121880
CC(C)(NC(=O)C1[C@@H]2CCC[C@@H]12)c1cn(c2ccccc2)nn1	ZINC22_101577630,PC-id_98221694	310.393	FGEHOCSVNHHPID-ZIAGYGMSSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121881
CC(C)(NC(=O)[C@@H]1[C@H]2CCC[C@@H]12)c1cn(c2ccccc2)nn1	ZINC22_245854823	310.393	FGEHOCSVNHHPID-FOLVSLTJSA-N	00100010100010110001110000000000000000000000000000000000	22-01-121882
CCn1cnc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319486325	310.393	RMONUNPVYVZNLV-QLPKVWCKSA-N	00100010100000110001010000000000000000000000000000000000	22-01-121883
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[C@H]12CN(C[C@H]1[C@@H]2CN(C)C)C(=O)c1cccc(c1)n1cccn1	MCULE-5773915942,ZINC22_101909055,EMOLS-id_43067405	310.393	YMIVZXYUSSQCEK-OSYLJGHBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-121886
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C[C@@H]1C2C1(OC(=N2)CCC3=CC=C(C=C3)C)C(C)(Cl)Cl	PC-id_165043884	311.084	OOPLGJNYXAOZTN-OLQXHTCTSA-N	00100011000000110001010000000000000000000000000000000000	22-01-122171
C1CN(C[C@H]2[C@@]1(C2)CN)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]	PC-id_162367513	311.094	DAGHADZKARDXHR-GWCFXTLKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122172
CCOC(=O)[C@H]1[C@H]2[C@@H]1[C@@](C[C@@H]2SC3=NCC=N3)(C(=O)O)N	PC-id_160641372	311.094	RJFJFPJETXLFTK-ONXMKFCISA-N	00100011000010000001010000000000000000000000000000000000	22-01-122173
C1[C@H]2[C@@H]([C@H]2[C@@]([C@@H]1OCC3=CC(=C(C=C3)F)F)(C=O)N)C(=O)O	PC-id_154946207	311.097	CGZCEBOKSXGBCY-CPTZKKPQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122174
COC(=O)NCc1ccc(cc1)O[C@H]1C(C([C@@H]2C(O2)O1)O)O	PC-id_163549305	311.101	FHRVZKFZZNVSNP-JBSNKVJHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122175
IC(=O)NC1c2c1cccccccc2	PC-id_139461113,SCHEMBL21325962	311.118	PZSKUODXWRLPFU-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-122176
CC1=CC(=CC=C1)C2=C(C=CS2)C(=O)N3C[C@@H]4C[C@@H]4[C@H]3C[NH-]	PC-id_160119446	311.122	OWQPLFYBRVASJA-CWRNSKLLSA-N	00100010100100110000110000000000000000000000000000000000	22-01-122177
CC1=CC=C(C=C1)C2=C(C=CS2)C(=O)N3C[C@@H]4C[C@@H]4[C@H]3C[NH-]	PC-id_160671924	311.122	RNANCGVBQBYAKB-CWRNSKLLSA-N	00100010100100110000110000000000000000000000000000000000	22-01-122178
C1C[C@@H]2[C@H]([C@@H]2OC1)C(=O)NC3=CN=C(C=C3)OC4=CN=CC=C4	EMOLS-id_317734822,PC-id_154779933,MCULE-2274389148	311.127	ACNQIRFHVGSJPT-FVQBIDKESA-N	00100000000010101000010000000000000000000000000000000000	22-01-122179
OC[C@H]1OC(=O)[C@H]2[C@@H]1[C@@H]2C(=O)c1ccc(cc1)Br	PC-id_101850810	311.128	HHSOZYYAKVBBRD-RCWTZXSCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122180
CC1=C2[C@@H]1C[C@H](N2C(=O)[C@H](CS(=O)(=O)C(C)(C)C)N)C#N	PC-id_163565376	311.13	FUSVCGBQJVUMSD-AXFHLTTASA-N	00110010000000000000010000000000000000000000000000000000	22-01-122181
C1CC(C1)CC(C(=O)C(=O)NP)NC(=O)[C@@H]1[C@H]2C[C@H]2CN1	PC-id_163657698	311.14	IRRHKNBJGRBQCJ-VKRYWUJJSA-N	00101010000000000000010000000000000000000000000000000000	22-01-122182
C#CCCC1(N=N1)CCC(=O)NC[C@]23[C@H](C2(F)F)CCCO3	PC-id_154778654	311.145	VKXWTQFPPDPXBE-RISCZKNCSA-N	00110000000010000001010000000000000000000000000000000000	22-01-122183
ClC12OC1C=CC(=C2Cc1c(CC(=O)O)cccc1)Cl	PC-id_58070747	311.16	NPAZMSPPVXLHBB-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-122184
CC(C)NCC(COC12CC1(C=CC=CC(=CC=C2)F)F)O	PC-id_154317120	311.17	WZEFSLLWPNNQJU-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-122185
BrC1=C(C(=O)OC1CC1(C2C(C2)C(=O)C1=C)C)C	PC-id_78117389	311.171	NSEKXXLFXKVJGY-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-122186
BrC1=C(C(=O)O[C@H]1C[C@]1([C@H]2[C@H](C2)C(=O)C1=C)C)C	PC-id_71573636	311.171	NSEKXXLFXKVJGY-AEISUSGSSA-N	00100011000000000000010000000000000000000000000000000000	22-01-122187
BrC1=C(C(=O)O[C@@H]1C[C@]1([C@H]2[C@H](C2)C(=O)C1=C)C)C	PC-id_71573637	311.171	NSEKXXLFXKVJGY-HGUJLJSRSA-N	00100011000000000000010000000000000000000000000000000000	22-01-122188
CC1=C(Br)[C@H](OC1=O)C[C@]1(C)[C@@H]2C[C@@H]2C(=O)C1=C	PC-id_102171920	311.171	NSEKXXLFXKVJGY-KSQLKPTDSA-N	00100011000000000000010000000000000000000000000000000000	22-01-122189
CC1=C(C(OC1=O)C[C@@]1([C@@H]2C[C@@H]2C(=O)C1=C)C)Br	PC-id_135085687	311.171	NSEKXXLFXKVJGY-KSEQJQSQSA-N	00100011000000000000010000000000000000000000000000000000	22-01-122190
CCOC(=O)CC(=O)CC1[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_163636157	311.173	IAGSMUQWSXFMTG-YHWZYXNKSA-N	00100010000000000000010000000000000000000000000000000000	22-01-122191
Brc1ccc(c(c1)C(=O)N)OC1CCNC2C1C2	SCHEMBL19499275,PC-id_118167892	311.174	AVRIDDZNYZWNOZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122192
Brc1ccc(c(c1)C(=O)N)OC1CCNC2[C@H]1C2	SCHEMBL16853876,PC-id_118189743	311.174	AVRIDDZNYZWNOZ-DUACVJHASA-N	00100000000010110000010000000000000000000000000000000000	22-01-122193
Brc1cc(ccc1NC1CCCC2C1C2)[N+](=O)[O-]	PC-id_112740062	311.174	DUPWBTHNMNHDQW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122194
Brc1ccc(c(c1)[N+](=O)[O-])NC1CCCC2C1C2	PC-id_112740069	311.174	KQZWKWHTHVIWHR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122195
Brc1ccc(c(c1)[N+](=O)[O-])NC1CCC[C@@H]2[C@H]1C2	PC-id_112740068	311.174	KQZWKWHTHVIWHR-OZRKRLJNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122196
Brc1cc(C(=O)NC2C3C2CNC3)ccc1OC	PC-id_54910518	311.174	NFWDPRGQOHPIMJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122197
Brc1c(C(=O)NC2C3C2CNC3)cc(OC)cc1	PC-id_43594279	311.174	PZLDUWHLUWZIDF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122198
C1CCC2C(C1)C2C(=O)Nc1c[nH]cc(c1=O)Br	EMOLS-id_110468780,PC-id_136518330,MCULE-5796516487	311.174	FVODFSDYWKYBKX-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122199
Cc1ccc(Br)c(C(=O)N2CC[C@@]3(O)C[C@H]3C2)n1	PC-id_146140096,ZINC22_825363453	311.174	YBJPOMNCYWTPKG-TVQRCGJNSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122200
COc1cc(Br)ccc1C(=O)NC1C2C1CNC2	PC-id_113296108	311.174	QJRUQBDGBAWVBA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122201
COc1ccc(cc1C(=O)NC1C2C1CNC2)Br	PC-id_112742053	311.174	VXRQBWWPNQCKET-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122202
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cn1)Br	EMOLS-id_318886320	311.174	SQDIVIJLUPKKNX-NOZJJQNGSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122203
OC[C@]12C[C@H]1CCCN2C(=O)c1ccncc1Br	EMOLS-id_319624705	311.174	PWTSAQQLLHMSAZ-NOZJJQNGSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122204
OC[C@]12C[C@H]1CCCN2C(=O)c1cncc(c1)Br	EMOLS-id_320222359,MCULE-5288327723	311.174	GRAGUVRODUHXKX-ZWNOBZJWSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122205
OC[C@]12C[C@H]1CCCN2C(=O)c1ncccc1Br	EMOLS-id_319557910	311.174	NIILKJMGMAHWSJ-NOZJJQNGSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122206
O=C(c1cc(Br)c(nc1C)O)NC1CC2C(C1)C2	EMOLS-id_102245601	311.174	RUJBJPBOXAOSRN-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-122207
O=C(Cc1ccnc(c1Br)O)NC1CC2C(C1)C2	EMOLS-id_102243557	311.174	RFEYKYDAYXEMPN-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-122208
O=C(N[C@@]12COC[C@@H]1C2)Cc1cc(Br)cc(n1)C	MCULE-1880535920,EMOLS-id_320185815	311.174	WAYWYNPNSZXQLD-ZANVPECISA-N	00100010000000101000010000000000000000000000000000000000	22-01-122209
O=C(Nc1cncc(Br)c1O)C1[C@H]2CCCC[C@H]12	ZINC22_129838536	311.174	FVODFSDYWKYBKX-YUMQZZPRSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122210
O=C(Nc1cncc(Br)c1O)C1[C@@H]2CCCC[C@@H]12	ZINC22_129838804	311.174	FVODFSDYWKYBKX-HTQZYQBOSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122211
O=C(Nc1cncc(Br)c1O)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_245827674	311.174	FVODFSDYWKYBKX-VROVMSAKSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122212
C1C2C1(CN(C2)CC3=CC=C(C=C3)N4C=CC(=NC4=O)N)CN	PC-id_154650560	311.175	BWMFBONXLLUOGH-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-122213
C1C2C(C2N)CN1CCC3=CC=C(C=C3)N4C=CC(=NC4=O)N	PC-id_154650865	311.175	GYEILKRWBDZJCL-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-122214
C1[C@H]2[C@@]1(CN(C2)CCC3=CC(=CC=C3)N4C=CC(=NC4=O)N)N	PC-id_155006481	311.175	KCOHNHFFFGLLGC-CXAGYDPISA-N	00100010000000110001110000000000000000000000000000000000	22-01-122215
C1[C@@H]2C(C2CNCC3=CC=C(C=C3)N4C=CC(=NC4=O)N)CN1	PC-id_154650543	311.175	LMVLRXAFCGDHIZ-SLTAFYQDSA-N	00100010000000110001110000000000000000000000000000000000	22-01-122216
C1[C@@H]2C(C2N)CN1CCC3=CC(=CC=C3)N4C=CC(=NC4=O)N	PC-id_154650293	311.175	MKSHNFHOUSFTJD-VQCLRJIVSA-N	00100010000000110001110000000000000000000000000000000000	22-01-122217
C1[C@@H]2[C@@H](C2CN)CN1CC3=CC=C(C=C3)N4C=CC(=NC4=O)N	PC-id_154650651	311.175	VZKAIBHYNVBWDO-GOOCMWNKSA-N	00100010000000110001110000000000000000000000000000000000	22-01-122218
C1[C@@H]2[C@@H](C2N)CN1CCC3=CC=C(C=C3)N4C=CC(=NC4=O)N	PC-id_154650743	311.175	GYEILKRWBDZJCL-MZBDJJRSSA-N	00100010000000110001110000000000000000000000000000000000	22-01-122219
C1CN(CC2C1(C2)N)CC3=CC=C(C=C3)N4C=CC(=NC4=O)N	PC-id_154650573	311.175	DWKLALGZXYBXOO-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-122220
CC1=C(C=CC(=C1)N2C=CC(=NC2=O)N)CN3CC4C(C3)C4N	PC-id_154650688	311.175	XSWMHDCJAPMJJC-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-122221
CC(C1=CC=C(C=C1)N2C=CC(=NC2=O)N)N3C[C@@H]4[C@H](C3)C4N	PC-id_154650525	311.175	JOGVKSCQUIEMQM-MWWSITIWSA-N	00100010000000110001110000000000000000000000000000000000	22-01-122222
C=CCn1ncc(c(c1=O)Br)NC1C2C1CNC2	PC-id_113585367	311.178	MIYWVYDEOHQMAU-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-122223
CC[C@@H](C(=O)N1CC2CC2C1C(=O)O)NC(=O)NC(C)(C)C	PC-id_148481115	311.185	MGWKKVABVAZZCX-MWJCJQSMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-122224
Fc1cc(cc(c1)Br)CC(=O)C1C2C1CCCC2	PC-id_115786680	311.189	BGKQSDIFAXIMCN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122225
O=C(C1C2C1CCCC2)Cc1cc(Br)ccc1F	PC-id_114967070	311.189	KGFWFHMUKHRCJB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122226
O=C(C1C2C1CCCC2)Cc1ccc(c(c1)Br)F	PC-id_113656261	311.189	MHFFDVKPZXAIPS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122227
O=C(C1C2C1CCCC2)Cc1ccc(cc1Br)F	PC-id_114967991	311.189	VNVHVKJVYPYORC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122228
O=C(C1C2C1CCCC2)Cc1cccc(c1Br)F	PC-id_115790048	311.189	OMZNKTJBPCLEGL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122229
O=C(C1C2C1CCCC2)Cc1ccc(cc1F)Br	PC-id_114968488	311.189	PVIKAIWGTWEUIC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122230
O=C(C1C2C1CCCC2)Cc1cc(F)ccc1Br	PC-id_113656747	311.189	OJUOTYHDPVUBDE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122231
CC(=C(CCC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C)F)C	PC-id_160336179	311.19	VZGUVJQSWVPHDI-BNOWGMLFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-122232
C12CCCCC1C2C(=O)NN=Cc1ccc(cc1Cl)Cl	PC-id_5082764,MCULE-2207061617	311.206	LZEFTSFXJKGUHN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122233
C=CCON=C(C1C2C1CNC2)c1cc(c(cc1)Cl)Cl	SCHEMBL15274092,PC-id_89816773	311.206	VPYCSLPOPBRJPM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122234
C=CCO/N=C(C1C2C1CNC2)/c1ccc(c(c1)Cl)Cl	SCHEMBL18726938	311.206	VPYCSLPOPBRJPM-CYVLTUHYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122235
Clc1ccc(/C=N/NC(=O)C2C3CCCCC23)c(Cl)c1	EMOLS-id_45929857,SPECS-id_AG-205/33144010,PC-id_9606901	311.206	LZEFTSFXJKGUHN-QGMBQPNBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122236
Clc1c(C=NNC(=O)C2C3C2CCCC3)c(Cl)ccc1	PC-id_5038735	311.206	HCJCKBSGICLBEP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122237
Clc1c(C=NNC(=O)C2[C@H]3[C@@H]2CCCC3)ccc(Cl)c1	PC-id_5410722	311.206	LZEFTSFXJKGUHN-ONXXMXGDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122238
O=C(C1[C@H]2[C@H]1CCCC2)N/N=Cc1ccc(cc1Cl)Cl	PC-id_98472395	311.206	LZEFTSFXJKGUHN-DCJNHJEZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122239
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N/N=Cc1ccc(cc1Cl)Cl	CoCoCo_6887372	311.206	LZEFTSFXJKGUHN-SEXNWVIWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122240
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N/N=C/c1ccc(cc1Cl)Cl	CoCoCo_6887373	311.206	LZEFTSFXJKGUHN-ADSROYAKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122241
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)N/N=Cc1ccc(cc1Cl)Cl	CoCoCo_6887374	311.206	LZEFTSFXJKGUHN-PFIYXOLESA-N	00100000000010110000010000000000000000000000000000000000	22-01-122242
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)N/N=C/c1ccc(cc1Cl)Cl	CoCoCo_6887375	311.206	LZEFTSFXJKGUHN-SOXDFASRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122243
C=NC1C(C2C(O2)C(C1NC1C(C(C2C(C1N)O2)N)N)N)N	PC-id_163884369	311.207	PWBIUDCZICAHQZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-122244
CC1CCN(C/C(=COC(C)C)/C2C1O2)C(=O)OC(C)(C)C	PC-id_163922542	311.21	RBQUCVNPYSLHEV-JLHYYAGUSA-N	00100000000000000100010000000000000000000000000000000000	22-01-122245
CCC(C)C(=O)NCCCCC(=O)OCC1CCC2C(C1)O2	PC-id_153307235	311.21	QAZNKWAJZLWUIY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-122246
Brc1c(CC2(CC3C(C3)C2)CO)cc(OC)cc1	PC-id_80472933	311.214	DPVHUBAFZXFBMF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122247
Brc1cc(CC2(CC3C(C3)C2)CO)ccc1OC	PC-id_80472983	311.214	AVVFNHOHMBQGPQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122248
Brc1cc(CC2(CC3C(C3)C2)CO)c(OC)cc1	PC-id_80472903	311.214	CBYXLRKUHVLJAC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122249
Brc1cc(C(O)C2C3C2CCC3)c(OC)cc1C	PC-id_81643296	311.214	NKHFBLHCFGZUSD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122250
Brc1cc(C(O)C2C3C2CCC3)c(OCC)cc1	PC-id_81643204	311.214	FZCKFTQDPRFKOW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122251
Brc1cc(C(O)C2C3C2CCCC3)ccc1OC	PC-id_81644203	311.214	WKXZRJVKLVMGRE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122252
Brc1cc(C(O)C2C3C2CCCC3)c(OC)cc1	PC-id_81644391	311.214	PMLBVTPYIFTQBM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122253
Brc1cc(C(O)C2CC3C(C3)C2)c(OC)cc1C	PC-id_80470441	311.214	XKZSBQCJKGJYDX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122254
Brc1cc(C(O)C2CC3C(C3)C2)c(OCC)cc1	PC-id_80470724	311.214	PSIOHYGVZUOJRW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122255
Brc1ccc(OCCC2(CC3C(C3)C2)CO)cc1	PC-id_80472649	311.214	MNFTYIIJOZSARH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122256
Brc1c(C(O)C2C3C2CCC3)ccc(OCC)c1	PC-id_81643298	311.214	KPHBPHVROVAQNF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122257
Brc1c(C(O)C2C3C2CCCC3)ccc(OC)c1	PC-id_81643292	311.214	QOTWJPCQVVQTQQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122258
Brc1cc(OCCC2(CC3C(C3)C2)CO)ccc1	PC-id_80472848	311.214	GJBRETYOXMYHPF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122260
BrC(C1C2C1CCC2)c1cc(OC)c(OC)cc1	PC-id_81636499	311.214	ZHFSVUNTSVWGOR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122261
BrC(C1C2C1CCC2)c1c(OC)ccc(OC)c1	PC-id_81638440	311.214	BPQWPRLMAFGJJB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122262
BrC(C1C2C1CCC2)c1c(OC)cc(OC)cc1	PC-id_81637802	311.214	WFGHSXBNQYUWOV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122263
BrC(C1CC2C(C2)C1)c1cc(OC)c(OC)cc1	PC-id_80470533	311.214	KUJWMPUOWWXSHR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122264
BrC(C1CC2C(C2)C1)c1c(OC)ccc(OC)c1	PC-id_80470646	311.214	CLFRUIDGKFYZEV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122265
BrC(C1CC2C(C2)C1)c1c(OC)cc(OC)cc1	PC-id_80469347	311.214	MVINUYVTYGIQHS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122266
CCOc1ccc(cc1Br)C(C1C2C1CCC2)O	PC-id_104661081	311.214	VWWIENFTJHFLNL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122267
CCOc1ccc(cc1Br)C(C1CC2C(C1)C2)O	PC-id_104661083	311.214	YIVSIALTOMNVIZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122268
COc1ccc(cc1Br)CC(C1C2C1CCC2)O	PC-id_115779387	311.214	SLNQBDJXFGRDQX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122269
COc1ccc(cc1Br)CC(C1CC2C(C1)C2)O	PC-id_115779416	311.214	ZKPAMRJZWXPKFZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122270
COc1ccc(cc1CC1(O)CCCC2C1C2)Br	PC-id_112740419	311.214	OWRFPBUADHDFDJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122271
COc1ccc(cc1CC(C1C2C1CCC2)O)Br	PC-id_113658735	311.214	YODXSIUQORZFRF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122272
COc1ccc(c(c1)CC(C1C2C1CCC2)O)Br	PC-id_113661555	311.214	BLKXQMWCMNJLCR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122273
COc1ccc(cc1CC(C1CC2C(C1)C2)O)Br	PC-id_113658739	311.214	CUFUSFLXVKPZGK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122274
COc1ccc(c(c1)CC(C1CC2C(C1)C2)O)Br	PC-id_115801434	311.214	VYOARWUGUVEEOS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122275
CCc1nn(c(c1Br)CC(=O)C1C2C1CCC2)C	PC-id_113658002	311.217	ODPGHJDZMVYJKM-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-122276
CCc1nn(c(c1Br)CC(=O)C1CC2C(C1)C2)C	PC-id_113657979	311.217	GINRSRIMBWSGLK-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-122277
C=C/C=C(/C(=O)N1C[C@@H]2[C@H]([C@H]1CN)C2)C(=C/C)Br	PC-id_143649966	311.217	XGIOPDKRQSDXQJ-MLOIGYFMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-122278
CCCn1ncc(c1C(=O)C1C2C1CCCC2)Br	PC-id_113661963	311.217	SZOJBQNGGLFVAQ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-122279
CCn1nc(c(c1CC(=O)C1C2C1CCC2)Br)C	PC-id_113658251	311.217	KZDNFRSFPOUXPQ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-122280
CCn1nc(c(c1CC(=O)C1CC2C(C1)C2)Br)C	PC-id_113658237	311.217	KSZYEJASENGHPR-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-122281
CC(n1ncc(c1C(=O)C1C2C1CCCC2)Br)C	PC-id_113662068	311.217	QUZXOHGBUWHHNH-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-122282
COc1ncc(cc1CNC1CCCC2C1C2)Br	EMOLS-id_318234019,MCULE-2081138806	311.217	GRUUFTJZJSYSSL-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122283
COc1ncc(c(c1)CNC1CCCC2C1C2)Br	MCULE-7421860881,EMOLS-id_318163701	311.217	YXAYVHHSNKSAPG-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122284
COc1ncnc(c1)CC(C1C2C1CCCC2)Br	PC-id_104304413	311.217	MZIPXSNGBSAZOO-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-122285
O=C(C1C2C1CCCC2)Cc1n(C)nc(c1Br)C	PC-id_113658548	311.217	QJPPZCGJUKVGMT-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-122286
C[C@H]1C=C[C@@H]2CC2[C@]1(C)C(=O)CCc1c(cccc1CNC)C	PC-id_163540341	311.225	FAOJSLLBBQPJSJ-QRECCKHSSA-N	00100000000011110000010000000000000000000000000000000000	22-01-122287
BrC(C1C2C1CCCC2)c1cc(c(F)c(c1)C)C	PC-id_81636350	311.232	PPVGHTJMDMNILP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122288
BrC(c1c(C)cc(cc1C)F)C1C2C1CCCC2	PC-id_106880098	311.232	UXKNEDKSZLVOHH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122289
CC(C)C(CC(C)(C)C)(N)N([O-])OCC1CC2CC2C(=C1)O	PC-id_163785533	311.234	CEARWDJWSVDYNI-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-122290
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1F)F	EMOLS-id_317332337,MCULE-2496786114,ZINC22_1704308976,PC-id_135105425	311.238	UIQARZZRGUOYDG-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122291
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1c(cccc1F)F	PC-id_135096855,MCULE-9549228489,EMOLS-id_317370237,ZINC22_1704312456	311.238	BXXQYIHGYPWMRF-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122292
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cccc(F)c1F	EMOLS-id_317351533,MCULE-3426657667,ZINC22_1704305997,PC-id_135091903	311.238	TUULTDMCKPHDHC-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122293
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(c(F)c1)F	MCULE-4842549789,ZINC22_1704330274,EMOLS-id_317368499,PC-id_135116840	311.238	HTWMBXWKUKAEEN-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122294
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(F)ccc1F	MCULE-2599495240,ZINC22_1704308750,PC-id_135106896,EMOLS-id_317348722	311.238	ITEYIDQDPTWSAX-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122295
COc1c(ccc(c1F)F)C(=O)NC1=CC(=O)C2C(C1O)O2	PC-id_49784603,SCHEMBL169445	311.238	SWMZARUXQNDGHE-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-122296
CC(C)CC(C)C(C12CC1CC(C2)NC(=O)OC(C)(C)C)O	PC-id_165340408	311.246	YEXLBLIKJVMZIR-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-122297
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CC(C)(C)OC(=O)N1[C@H]2[C@@H](OC[C@H]1C(=O)O)C2C(F)(F)F	MCULE-6593607954,EMOLS-id_31422124,PC-id_47003459	311.254	LWSDFMTZOOHKNY-GXZQIQRVSA-N	00100000000010000001010000000000000000000000000000000000	22-01-122301
CC(C)(C)OC(=O)N1[C@@H]2[C@H](OC[C@H]1C(=O)O)C2C(F)(F)F	MCULE-8953419313,EMOLS-id_31422122,PC-id_47003458	311.254	LWSDFMTZOOHKNY-SBEGJHHSSA-N	00100000000010000001010000000000000000000000000000000000	22-01-122302
CC(C)(C)OC(=O)N1[C@H](C(=O)O)CO[C@H]2[C@@H]1[C@@H]2C(F)(F)F	PC-id_51922117,ZINC22_39947704	311.254	LWSDFMTZOOHKNY-DKXJUACHSA-N	00100000000010000001010000000000000000000000000000000000	22-01-122303
CC(C)(C)OC(=O)N1[C@H](C(=O)O)CO[C@H]2[C@@H]1[C@H]2C(F)(F)F	PC-id_51922119,ZINC22_39947705	311.254	LWSDFMTZOOHKNY-FKSUSPILSA-N	00100000000010000001010000000000000000000000000000000000	22-01-122304
CC(C)(C)OC(=O)N1[C@H](C(=O)O)CO[C@@H]2[C@H]1[C@H]2C(F)(F)F	PC-id_51922123,ZINC22_39947707	311.254	LWSDFMTZOOHKNY-OSMVPFSASA-N	00100000000010000001010000000000000000000000000000000000	22-01-122305
CC(C)(C)OC(=O)N1[C@H](C(=O)O)CO[C@H]2[C@@H](C(F)(F)F)[C@@H]12	PC-id_51922121,ZINC22_39947706	311.254	LWSDFMTZOOHKNY-HSNKUXOKSA-N	00100000000010000001010000000000000000000000000000000000	22-01-122306
BrCC1(CC2C(C2)C1)Cc1nn(cc1)C(CC)C	PC-id_80473148	311.261	QZXYPCZMBZPCQI-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-122307
BrCC1(CC2C(C2)C1)Cc1n(nc(c1)CC)CC	PC-id_80473436	311.261	TZDBTDQAZMBGRH-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-122308
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BrCC1(CC2C(C2)C1)CCSc1ccccc1	PC-id_80473118	311.28	VEJBQKACLAMPTG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122310
C12(CCN(CC1C2(F)F)C(=O)OCc1ccccc1)C(=O)O	PC-id_121207592,MCULE-8217414203	311.281	YQMFMLGQXSOONP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122311
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1ccc(c(F)c1F)C)C(=O)O	ZINC22_1704335644,MCULE-6369325854,EMOLS-id_317342665,PC-id_135120339	311.281	DDNJKKVDAPBINK-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122312
C12(C(=O)O)CN(CCC1C2(F)F)C(=O)OCc1ccccc1	MCULE-2257582182,PC-id_121207586	311.281	SZEMEABSDCPSRY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122313
C12(C(=O)O)N(CCCC1C2(F)F)C(=O)OCc1ccccc1	EMOLS-id_194828812,MCULE-8455975147	311.281	IOACHQKQOCOTNL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122314
Fc1c(CC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)cccc1F	PC-id_67684996,SCHEMBL8763023	311.281	KDPQIENICDUWCD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122315
Fc1c(CC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)ccc(F)c1	SCHEMBL8763871,PC-id_67685186	311.281	VQWMJQDCWGSJNC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122316
Fc1c(CC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)cc(F)cc1	SCHEMBL8762572,PC-id_67684860	311.281	YALKHGXROPWVNW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122317
Fc1cc(CC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)ccc1F	SCHEMBL8764439,PC-id_67685308	311.281	HRADXDXENTUTGF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122318
Fc1cc(CC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)cc(F)c1	SCHEMBL8763994,PC-id_67685212	311.281	TUZKYMAITYKOKE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122319
Fc1cc(COC(=O)C2(N)C3C(C3C(=O)O)CC2)cc(F)c1	PC-id_23569560	311.281	WLZMWIPEBJTGSA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122320
Fc1cc(COC(=O)[C@@]2(N)[C@H]3[C@H]([C@@H]3C(=O)O)CC2)cc(F)c1	PC-id_10150055	311.281	WLZMWIPEBJTGSA-ASHKBJFXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122321
Fc1c(COC(=O)C2(N)C3C(C3C(=O)O)CC2)cccc1F	PC-id_23569546	311.281	YUULKPSYDKSXOV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122322
Fc1c(COC(=O)C2(N)C3C(C3C(=O)O)CC2)cc(F)cc1	PC-id_23569550	311.281	FVGOEAJSKVZNKN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122323
Fc1c(COC(=O)[C@@]2(N)[C@H]3[C@H]([C@@H]3C(=O)O)CC2)cccc1F	PC-id_10215034	311.281	YUULKPSYDKSXOV-KNSQEALPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122324
Fc1c(COC(=O)[C@@]2(N)[C@H]3[C@H]([C@@H]3C(=O)O)CC2)cc(F)cc1	SCHEMBL5841474,PC-id_10193217	311.281	FVGOEAJSKVZNKN-OXUWNYNTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122325
O=C(C1CCC2C(C1)C2(F)F)Nc1ccc(c(c1)C(=O)O)O	EMOLS-id_316968001,MCULE-2515632895	311.281	MGRGGBWPFIZEDA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122326
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OC(=O)C1CCC2C(N1C(=O)OCc1ccccc1)C2(F)F	EMOLS-id_329912048	311.281	GPOJKMVPLOXPMB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122328
OC(=O)C1CCN(C2C1C2(F)F)C(=O)OCc1ccccc1	EMOLS-id_329910782	311.281	PORVXGBRDLKHBL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122329
O=C(O)c1cc(NC(=O)[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)ccc1O	ZINC22_1118974575	311.281	MGRGGBWPFIZEDA-AVPPRXQKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122330
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OC(=O)[C@H]1CCC2C(N1C(=O)OCc1ccccc1)C2(F)F	EMOLS-id_329974799	311.281	GPOJKMVPLOXPMB-MOENNCHZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122334
FC(Oc1nccc(c1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)F	EMOLS-id_319550876	311.284	XOKDUHAEPANHTH-OTYXRUKQSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122335
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[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1onc(CCOC)n1)C(=O)O	ZINC22_1704316459,MCULE-3181052745,EMOLS-id_317351556,PC-id_135104685	311.291	QDUNPYDJQJNWOB-BETUJISGSA-N	00100010100000000001010000000000000000000000000000000000	22-01-122340
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CO[C@@H]1O[C@@H]([C@@H]2[C@H]1S2)COC(=O)c1ccc(cc1)[N+](=O)[O-]	LI_133317,LI_140254,CoCoCo_5432302	311.31	FFIVSOJPUPMSCN-PRULPYPASA-N	00100010000000110000010000000000000000000000000000000000	22-01-122355
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CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2S[C@@H]12	ZINC22_104112667,PC-id_98515961	311.31	FFIVSOJPUPMSCN-KQXIARHKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122360
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S1C2C1C(OC2COC(=O)c1ccc([N+](=O)[O-])cc1)OC	PC-id_269557	311.31	FFIVSOJPUPMSCN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122362
O[C@H]1C=C[C@H]2[C@@H](C1)N2P(=O)(c1ccccc1)c1ccccc1	PC-id_101229657	311.315	YPUGYLJYGNGHTK-DYJHLDHHSA-N	00100000000011110000010000000000000000000000000000000000	22-01-122363
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CC(C)(C)c1c(cc(cc1F)OC(=O)N1CC2CC2C1O)F	SCHEMBL19995948,PC-id_134368127	311.324	ZEPBRCOXYSRBII-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122368
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccc(cc1)OC(F)F	MCULE-7869872897,EMOLS-id_320090677	311.324	PPPSDNWPKIPSFV-MLGOLLRUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122369
OC(c1ccc(cc1)OC(F)F)CNC(=O)C1C2C1CCC2	PC-id_111750709	311.324	JRSNPTBTRWXKRD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122370
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O=C(CC12CCCCC1C2(F)F)NCc1c(O)cccc1O	MCULE-1354489059,EMOLS-id_319970869	311.324	RCOGGFCWAPJYBE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122372
CC12CCN(CC1C2(F)F)C(=O)NCc1c(ccnc1)OC	EMOLS-id_316915251,MCULE-2586551620,PC-id_136544747	311.327	NIXYEVYUICOMBS-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122373
COc1ccncc1CNC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F	ZINC22_294241873	311.327	NIXYEVYUICOMBS-GXTWGEPZSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122374
COc1ccncc1CNC(=O)N1CC[C@@]2(C)[C@H](C1)C2(F)F	ZINC22_294241880	311.327	NIXYEVYUICOMBS-JSGCOSHPSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122375
COc1ccncc1CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F	ZINC22_294241886	311.327	NIXYEVYUICOMBS-OCCSQVGLSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122376
COc1ccncc1CNC(=O)N1CC[C@]2(C)[C@@H](C1)C2(F)F	ZINC22_294241891	311.327	NIXYEVYUICOMBS-TZMCWYRMSA-N	00100000000010101000010000000000000000000000000000000000	22-01-122377
O=C(CC12CCCCC1C2(F)F)NCCn1cccnc1=O	EMOLS-id_319648313	311.327	QLHCTMWXQSKVNQ-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-122378
Fc1cccc(c1)SC1CC(C2C1C2C(=O)O)(N)C(=O)O	PC-id_67720730,SCHEMBL8900896	311.329	VACPMLJYMFOLOX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122379
OC(=O)C1C2C1C(CC2Sc1ccccc1F)(N)C(=O)O	SCHEMBL8902154,PC-id_67721189	311.329	SVEJWCZBARUTEX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-122380
C1CC2C(O2)CC1C(=O)OC(N)OC(=O)C1CCC2C(C1)O2	PC-id_88979277,SCHEMBL12922748	311.33	LMUDRCFVVLFDBT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-122381
COC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(/C=N/C(=O)OC(C)(C)C)C(=O)O	PC-id_142204968	311.33	WKJCTJSAUNCRBO-HKVNBKHXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-122382
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FC1=CN(C(=O)N(C2C1N2)C)S(=O)(=O)c1ccc(cc1)C	SCHEMBL18677811	311.332	YIECEZNRORRVHL-UHFFFAOYSA-N	00100000000000110111010000000000000000000000000000000000	22-01-122384
Oc1ccc(cc1C(=O)N1CCOC2C1C2)Oc1ccccc1	EMOLS-id_318618465	311.332	QEQNZYINLUMEHW-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-122385
O=C(c1cc(oc1C)c1ccccc1)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)O	EMOLS-id_318674770	311.332	MUGFMTLGGSTALT-FOLVSLTJSA-N	00100010101000110000110000000000000000000000000000000000	22-01-122386
OC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1c(C)occ1c1ccccc1	EMOLS-id_318617823	311.332	LPJQQLDKJOQSOC-VIKVFOODSA-N	00100010101000110000110000000000000000000000000000000000	22-01-122387
C1[C@H]2C1C(=O)N(C2)Cc1ccc(cc1)Cn1cc(cn1)C(=O)O	SCHEMBL20549599,PC-id_135369888	311.335	FOYATBDNZMKLNA-AFYYWNPRSA-N	00100010100000110001010000000000000000000000000000000000	22-01-122388
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)c1cnco1	EMOLS-id_318834897	311.335	AIKGPBIMTLPXCT-DYVFJYSZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122389
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1noc(c1)c1ccccc1	EMOLS-id_319812091	311.335	KEBLTFKQXHMYDK-PXAZEXFGSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122390
O=c1ccn(c(=O)n1C(=O)c1ccccc1)CC1[C@@H]2[C@H]1CNC2	PC-id_101362978	311.335	TUPDTAFJGYVFHJ-PBWFPOADSA-N	00100010000000110001010000000000000000000000000000000000	22-01-122391
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CCc1ccccc1n1cc(c(n1)C(=O)N1CCCC2C1C2)O	EMOLS-id_318746979	311.378	DMLLYSOMRIVBMW-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122504
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N#CCOc1ccccc1/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561977	311.378	XSAPIRZWPQVADU-IFAGBJDVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122524
N#CCOc1ccccc1/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561978	311.378	XSAPIRZWPQVADU-MGXLVVJSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122525
N#CCOc1ccccc1/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561979	311.378	XSAPIRZWPQVADU-GBVKDSMHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122526
N#CCOc1ccccc1/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561980	311.378	XSAPIRZWPQVADU-YXJULKBZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122527
N#CCOc1ccccc1/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98085800	311.378	XSAPIRZWPQVADU-VJTZPQPBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122528
N#CCOc1ccccc1/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98085801	311.378	XSAPIRZWPQVADU-GCOMSURDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122529
Oc1cn(nc1C(=O)N1CC2C(C1)C2)c1ccc(cc1)C(C)C	EMOLS-id_318431993	311.378	ALOOILBRQVROAF-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122530
Oc1cn(nc1C(=O)N1CC2C(C1)C2)c1cccc(c1)C(C)C	EMOLS-id_318681659	311.378	VNFBOSXNIFYCAY-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122531
O=C([C@@]12CCC[C@@H]1C2)Nc1c(C)n(n(c1=O)c1ccccc1)C	EMOLS-id_318453517	311.378	UVYZYWRKACGWFX-FZKQIMNGSA-N	00100010100010110001110000000000000000000000000000000000	22-01-122532
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)c1cnn(c1)C	EMOLS-id_319188586	311.378	MDSAXWLOQLJWFY-SJLPKXTDSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122533
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)Cn1cncc1	EMOLS-id_319609248	311.378	RVAZTNOGNXGVRT-SJLPKXTDSA-N	00100000100010110001010000000000000000000000000000000000	22-01-122534
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)n1nccc1C	EMOLS-id_319567955	311.378	UGENBGHYGYXSIO-CRAIPNDOSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122535
OC[C@]12C[C@H]1CCCN2C(=O)c1cnn(c1)Cc1ccccc1	EMOLS-id_320205021,MCULE-9972049314	311.378	HGPPQCMMAJENGQ-SJLPKXTDSA-N	00100000100010110001010000000000000000000000000000000000	22-01-122536
OC[C@]12C[C@H]1CCCN2C(=O)c1cn(nc1C)c1ccccc1	MCULE-2804210721,EMOLS-id_320308592	311.378	YBZINEZFANKPNZ-RDTXWAMCSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122537
OC[C@]12C[C@H]1CCCN2C(=O)c1cnn(c1C)c1ccccc1	MCULE-6187149158,EMOLS-id_320132117	311.378	PSLCZXMPUJWPFA-RDTXWAMCSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122538
OC[C@]12C[C@H]1CCCN2C(=O)c1nc([nH]c1C)c1ccccc1	MCULE-1725432146,EMOLS-id_320141895	311.378	UURFMVWDVYMSTD-RDTXWAMCSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122539
OC[C@]12C[C@H]1CCCN2C(=O)c1[nH]nc(c1C)c1ccccc1	EMOLS-id_319312359	311.378	UXRSCKPNFZNUBW-RDTXWAMCSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122540
OC[C@]12C[C@H]1CCCN2C(=O)c1nn(cc1C)c1ccccc1	EMOLS-id_319636435	311.378	PTGIOSHILGYQLG-RDTXWAMCSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122541
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccc(cc1)n1cncc1	EMOLS-id_319905717,MCULE-8969570022	311.378	NBLLXQMVXXFCTA-CRAIPNDOSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122542
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccn(n1)c1ccccc1	EMOLS-id_318864615	311.378	LWXFPEDSIIBCFZ-RDTXWAMCSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122543
OCC12CN(CC1C2)C(=O)c1cn(nc1c1ccccc1)CC	EMOLS-id_318402267	311.378	JSRJMRAHRBWHOO-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122544
OCC12CN(CC1C2)C(=O)c1cnn(c1c1ccccc1)CC	EMOLS-id_318639754	311.378	NBXMPXOFBQPBBO-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122545
O=C(C1C2C1CCC2)Nc1c(C)n(n(c1=O)c1ccccc1)C	EMOLS-id_317932993	311.378	PGEKWZNZHVKURX-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-122546
O=C(C1CCC2C(C1)C2)NC(c1nocn1)Cc1ccccc1	EMOLS-id_316701661	311.378	ZCRNNVGPNQKVDR-UHFFFAOYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-122547
O=C(CC1[C@@H]2[C@H]1CN(C2)Cc1cccnc1)NCc1ccco1	PC-id_98778852	311.378	SJGLWGLTHSMDHQ-ALOPSCKCSA-N	00100010101000101000010000000000000000000000000000000000	22-01-122548
O=C(CC1[C@@H]2[C@H]1CN(C2)Cc1ccc(o1)C)Nc1cccnc1	PC-id_98815680	311.378	XFGWSZISGUGXSC-ALOPSCKCSA-N	00100010101000101000010000000000000000000000000000000000	22-01-122549
O=C(CC1[C@@H]2[C@H]1CN(C2)Cc1ccncc1)NCc1ccco1	PC-id_98815672	311.378	XNFAYSJXINVGIJ-ALOPSCKCSA-N	00100010101000101000010000000000000000000000000000000000	22-01-122550
O=C(C[C@@H]1[C@@H]2CN(Cc3cccnc3)C[C@H]12)NCc1ccco1	ZINC22_107253914,EMOLS-id_44359836	311.378	SJGLWGLTHSMDHQ-BJWYYQGGSA-N	00100010101000101000010000000000000000000000000000000000	22-01-122551
O=C(C[C@@H]1[C@@H]2CN(Cc3ccncc3)C[C@H]12)NCc1ccco1	ZINC22_107745971,EMOLS-id_46141651	311.378	XNFAYSJXINVGIJ-BJWYYQGGSA-N	00100010101000101000010000000000000000000000000000000000	22-01-122552
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cc(ccc1C)c1ccnn1C	EMOLS-id_318722879	311.378	VYZMXXBSELBXBY-KBRIMQKVSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122553
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1ccc(cc1)n1cnc(c1C)C	EMOLS-id_318701941	311.378	POMAXAVENZRGRV-BRWVUGGUSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122554
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1ccccc1n1nc(cc1C)C	EMOLS-id_318597150	311.378	KDWBVUASWZMHKG-KBRIMQKVSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122555
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1ccc(cc1)n1nc(cc1C)C	EMOLS-id_318631186	311.378	JKWBVRZSXPPHCR-BRWVUGGUSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122556
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cccc(c1)n1nc(cc1C)C	EMOLS-id_318728324	311.378	IXKYOJQWUICKLB-BRWVUGGUSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122557
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cc(C)ccc1n1ncc(c1)C	EMOLS-id_318400400	311.378	WPPUWYAKLMLRAS-KBRIMQKVSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122558
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cc(nn1c1cccc(c1)C)C	EMOLS-id_318438340	311.378	DNZHUSQJBZQODQ-DJIMGWMZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122559
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cc(nn1c1ccc(cc1)C)C	EMOLS-id_318504692	311.378	PAAZYAQDSJCCDG-DJIMGWMZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122560
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1ccnn1Cc1ccc(cc1)C	EMOLS-id_318391261	311.378	UARUCPVJXZSCNJ-DJIMGWMZSA-N	00100000100010110001010000000000000000000000000000000000	22-01-122561
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cc(nn1C)c1ccccc1C	EMOLS-id_318441029	311.378	JOBZLVIDCLDMIM-KBRIMQKVSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122562
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1cnn(c1C)c1ccc(cc1)C	EMOLS-id_318549657	311.378	PTEBNOJNAPOJPE-DJIMGWMZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122563
O=C([C@H]1[C@H]2[C@@H]1CCCO2)Nc1nn(c(c1)C)c1ccc(cc1)C	EMOLS-id_318572001	311.378	AZCKXMMBBWMUMB-DJIMGWMZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122564
O=C([C@@H]1[C@@H]2[C@H]1OCCC2)Nc1c(C)nn(c1C)c1ccccc1	EMOLS-id_318748469	311.378	QBEUTVQMCSRRCQ-BFYDXBDKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122565
O=C(N1CC2C(C1)C2(C)C)Nc1c(C)noc1c1ccccc1	EMOLS-id_111588969	311.378	DBSKGHZIBVQGGE-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122566
O=C(N1CC2C(C1)C2(C)C)NCc1ccc(cc1)c1ocnc1	EMOLS-id_318604384	311.378	ZCZCQWOJHKXRQP-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122567
O=C(N1CC2C(C1)C2(C)C)NCc1coc(n1)c1ccccc1	EMOLS-id_317979071	311.378	YRGXLOGGMWFJNY-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122568
O=C(N1CC2C(C1)C2(C)C)NCc1ncc(o1)c1ccccc1	EMOLS-id_318690866	311.378	GMOBKEDXHCZYKV-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122569
O=C(N1CC2C(C1)C2(C)C)NCc1noc(c1)c1ccccc1	EMOLS-id_318630719	311.378	BQMFGFKFYAQOSL-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122570
O=C(N1CC2C(C1)C2(C)C)NCc1onc(c1)c1ccccc1	EMOLS-id_317915351	311.378	ZUTHCCFHQVETRN-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122571
O=C(N1CC2C(C2CN(C)C)C1)c1onc(c1)c1ccccc1	PC-id_76423281	311.378	SDUQDZLYOXMQMX-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122572
O=C(N1C[C@@H]2[C@H](C1)[C@H]2C(n1cccn1)C)OCc1ccccc1	SCHEMBL9963058	311.378	OAWOJKVRIGBTQL-JHZKUSGMSA-N	00100010100000110001010000000000000000000000000000000000	22-01-122573
O=C(N1C[C@@H]2[C@@H](C2CN(C)C)C1)c1onc(c1)c1ccccc1	PC-id_56884032	311.378	SDUQDZLYOXMQMX-GOOCMWNKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122574
O=C(NC12CC1COC2(C)C)Cc1ccc(cc1)n1cncc1	EMOLS-id_316453705,MCULE-9626931181	311.378	UCLORNVMQBLZIW-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122575
O=C(N(Cc1ccoc1)C)C1C2C1CN(C2)Cc1ncccc1	PC-id_76436348	311.378	QWXWMZYHOQDMKA-UHFFFAOYSA-N	00100010101000101000010000000000000000000000000000000000	22-01-122576
O=C(N(Cc1ccoc1)C)C1[C@H]2[C@@H]1CN(C2)Cc1ncccc1	PC-id_56900843	311.378	QWXWMZYHOQDMKA-SJPCQFCGSA-N	00100010101000101000010000000000000000000000000000000000	22-01-122577
O=C(NN=Cc1c(OCC#N)cccc1)[C@@H]1[C@]2([C@@H]1CCCC2)C	PC-id_11893156	311.378	XSAPIRZWPQVADU-QGPMSJSTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122578
O=C(NN=Cc1c(OCC#N)cccc1)[C@@H]1[C@@]2([C@H]1CCCC2)C	PC-id_11893157	311.378	XSAPIRZWPQVADU-LESCRADOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-122579
OC(=O)C1[C@@H]2[C@H]1CN(C2)Cc1ccccc1n1nc(cc1C)C	PC-id_122570859	311.378	WADADBFWSIAQIY-FKEKPDDDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122580
OC(=O)c1nn(cc1CN1CC2C(C1)C2(C)C)c1ccccc1	MCULE-7811885571,EMOLS-id_318503683	311.378	ILDIIUGAORSHRM-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122581
O(C(=O)N1CC2C(C2C(n2nccc2)C)C1)Cc1ccccc1	PC-id_77392071	311.378	OAWOJKVRIGBTQL-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-122582
O(C(=O)N1C[C@H]2[C@H](C2C(n2nccc2)C)C1)Cc1ccccc1	PC-id_67986502	311.378	OAWOJKVRIGBTQL-JOHJCKIYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-122583
Cc1ccnc(c1)n1nccc1NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111371905	311.382	CHYXOWGRWRFPAO-UHFFFAOYSA-N	00100010100000101001110000000000000000000000000000000000	22-01-122584
Cc1nc(CC(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@H]23)n[nH]1	EMOLS-id_316939450,MCULE-6967838162,ZINC22_820100507	311.382	MXHPPDJTUDADAC-HALDLXJZSA-N	00100010100000110001010000000000000000000000000000000000	22-01-122585
Cc1nc(n[nH]1)CC(=O)NC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1	PC-id_136586447	311.382	MXHPPDJTUDADAC-VMZNBEPHSA-N	00100010100000110001010000000000000000000000000000000000	22-01-122586
CCn1cnnc1c1ccccc1NC(=O)N1CCCC2C1C2	EMOLS-id_318751418	311.382	BIBIILMHNVLMGM-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122587
CCn1ncc(n1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-3710076793,EMOLS-id_320332082	311.382	HWGGZHQQBKAHMD-FOLVSLTJSA-N	00100010100000110001010000000000000000000000000000000000	22-01-122588
[C@H]12CN(C[C@H]1[C@@H]2CN(C)C)C(=O)c1ccccc1n1cnnc1	EMOLS-id_222789154,ZINC22_670470613,MCULE-2778318639	311.382	CYFAIDUVWWGDLX-QKDCVEJESA-N	00100010100000110001110000000000000000000000000000000000	22-01-122589
Cn1cc(CN2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)cn1	ZINC22_107745997,EMOLS-id_46141663	311.382	LMFLNJPNRHLSSW-MUJYYYPQSA-N	00100010100000101001010000000000000000000000000000000000	22-01-122590
N#Cc1ccnc(c1)N1CCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102213832	311.382	WSYPYEOFYUWGMZ-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-122591
N#Cc1nccnc1N1CCN(C(C1)C)C(=O)C1C2C1CCC2	EMOLS-id_111230016	311.382	ORARDPCDWQMTPI-UHFFFAOYSA-N	00100010000010100001110000000000000000000000000000000000	22-01-122592
NCc1[nH]nc(n1)c1ccc(cc1)NC(=O)C1C2C1CCCC2	PC-id_120566181	311.382	RPCIKMRNIMHHHQ-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122593
O=C(CC1[C@@H]2[C@H]1CN(C2)Cc1cnn(c1)C)Nc1cccnc1	PC-id_98815678	311.382	LMFLNJPNRHLSSW-MQVJKMGUSA-N	00100010100000101001010000000000000000000000000000000000	22-01-122594
O=C(C(n1nnc(n1)c1ccccc1)C)NC1CCCC2C1C2	EMOLS-id_318563216	311.382	BFCXVLNOCLRMLT-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-122595
O=C(N1CC2C(C1)C2(C)C)Nc1cccc(c1)Cn1cncn1	EMOLS-id_317948105	311.382	DAOKCYHZGGNZMB-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-122596
O=C(N1CC2C(C1)C2(C)C)Nc1ccccc1Cn1cncn1	EMOLS-id_318494562	311.382	GEUFUUYAIVIGQT-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-122597
O=C(N1CC2C(C1)C2(C)C)Nc1cc(nn1c1ccccn1)C	EMOLS-id_111849189	311.382	BUPMUKLOCGUJLM-UHFFFAOYSA-N	00100010100000101001110000000000000000000000000000000000	22-01-122598
O=C(N1CC2C(C1)C2(C)C)Nc1ccn(n1)Cc1ccccn1	EMOLS-id_318445768	311.382	UTXSHYWLNYCYIF-UHFFFAOYSA-N	00100010100000101001010000000000000000000000000000000000	22-01-122599
O=C(N1CC2C(C1)C2(C)C)Nc1ccnn1Cc1ccccn1	EMOLS-id_318539520	311.382	GANDRHANABRUSX-UHFFFAOYSA-N	00100010100000101001010000000000000000000000000000000000	22-01-122600
O=C(N1CC2C(C1)C2(C)C)Nc1ccn(n1)Cc1cccnc1	EMOLS-id_318408384	311.382	FYBWQJMQCIHPDK-UHFFFAOYSA-N	00100010100000101001010000000000000000000000000000000000	22-01-122601
O=C(N1CC2C(C1)C2(C)C)Nc1ccn(n1)Cc1ccncc1	EMOLS-id_317924314	311.382	MBCZZUSYCFYSHA-UHFFFAOYSA-N	00100010100000101001010000000000000000000000000000000000	22-01-122602
O=C(N1CC2C(C1)C2(C)C)Nc1cnn(c1)Cc1ccccn1	EMOLS-id_318713937	311.382	CKQMGEBRJJOMKG-UHFFFAOYSA-N	00100010100000101001010000000000000000000000000000000000	22-01-122603
O=C(N1CC2C(C1)C2(C)C)Nc1cnn(c1)Cc1cccnc1	EMOLS-id_318605540	311.382	XRICVJGXNZHXRJ-UHFFFAOYSA-N	00100010100000101001010000000000000000000000000000000000	22-01-122604
O=C(N1CC2C(C1)C2(C)C)Nc1ncn(n1)Cc1ccccc1	EMOLS-id_318577293	311.382	LHQYNJZPZMFOHH-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-122605
O=C(N1CC2C(C1)C2(C)C)Nc1nnn(c1)Cc1ccccc1	EMOLS-id_97943734	311.382	XKDQSCKSGQQDNW-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-122606
O=C(N1CC2C(C1)C2)Nc1ccccc1c1nncn1C(C)C	EMOLS-id_318645015	311.382	PURPMKWMBJPKOQ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-122607
O=C(N1CCCC2C1C2)NCc1ccc(nc1)n1ccnc1C	EMOLS-id_318469628	311.382	CXMBGIGSTIMCSN-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-122608
O=C(N1CCCC2C1C2)NCc1cccnc1n1ccnc1C	EMOLS-id_318479754	311.382	GNGMDJFZVJVJQA-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-122609
C1C2C1(CNC2)CCCCCCc1ccc(cc1)C(F)(F)F	PC-id_90863975	311.385	QXOYHRCDNIHJEZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122610
CC1(C2C1CN(C2)S(=O)(=O)c1c(cccc1OC)OC)C	EMOLS-id_111483500,MCULE-9155714191,PC-id_136532511	311.397	AHHVLLGPTUZNPM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-122611
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Cc1ccc(c(c1)Cc1ccc(cc1)O[C@@H]1C[C@H]2[C@@H](C1)C2)Cl	SCHEMBL16883712	312.833	JRNHADLFSMQGRN-MNZLEMJZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123438
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COC(=O)N1[C@H]2[C@H]1C[C@@H]([C@H](C2)Br)Br	PC-id_100895729	312.986	RUAPYDZHXLSHCZ-VWDOSNQTSA-N	00100000000010000000010000000000000000000000000000000000	22-01-123441
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COC(=O)N1[C@H]2[C@H]1C[C@@H]([C@@H](C2)Br)Br	PC-id_98162945	312.986	RUAPYDZHXLSHCZ-XDAHVEFBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-123445
COC(=O)N1[C@@H]2[C@H]1C[C@@H]([C@H](C2)Br)Br	PC-id_99952772	312.986	RUAPYDZHXLSHCZ-NARRSNEXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-123446
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OCC(=O)N1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262413080	312.986	WAVRTGYXEWEZKF-NTSWFWBYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-123448
CC12CC(NC1C2)C(=O)NC3=NC(=CC(=C3)F)Br	PC-id_153456664	313.023	SLAPVMQNXTYKNT-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-123449
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OCCCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262413188	313.029	LQRBFDZIDBVJIP-JGVFFNPUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-123452
OCCN1CC[C@@]2([C@H](C1)C2(Br)Br)C	EMOLS-id_262413182	313.029	VJYDEBXNUBNZNY-JGVFFNPUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-123453
COCCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_107457774	313.03	ZUAXNGMQBZEEFF-JGVFFNPUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-123454
C1[C@@H]2C[C@@H]2N([C@@H]1C[NH-])C(=O)C3=CC=CC=C3C4=CSC(=N4)N	PC-id_160344521	313.113	PYJUGSNXTHDGIM-BFVZDQMLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-123455
C1C2C1N(C(C2)C(=O)NC(CCS)C(=O)C(=O)N)C(=N)N	PC-id_154706151	313.121	YJYNLVZVJAKJTA-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-123456
c1cc(ccc1CN1C2C(O2)C(C=NC1=O)Br)F	PC-id_91429371	313.122	IZYZKRWZLNRZNW-UHFFFAOYSA-N	00100000000000110111010000000000000000000000000000000000	22-01-123457
CCOC(=O)C12CC1(CN(C2)CC3=CC=CC=C3)C(F)(F)F	EMOLS-id_337940154,PC-id_165124356	313.129	OCWYDJRXECXQRV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-123458
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Ic1ccc(cc1)C(=O)N1CC2CC2C1	EMOLS-id_337728412,MCULE-9798998945	313.134	CLSQVCIEHKPAFZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-123460
Ic1cccc(c1)C(=O)N1CC2CC2C1	MCULE-7568893984,EMOLS-id_337728668	313.134	LHZZUMWOJIDRJY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-123461
Ic1ccccc1C(=O)N1CC2CC2C1	PC-id_108452400,MCULE-3353643635,EMOLS-id_186780666	313.134	XKYRRYHPUIGDGX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-123462
Brc1ccc(o1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319508489	313.147	QDLFAJHGQPBPTN-KRTXAFLBSA-N	00100000101010000000010000000000000000000000000000000000	22-01-123463
Brc1occ(c1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_320309768,MCULE-6979356645	313.147	ZQLZYZSRVBZNHO-PELKAZGASA-N	00100000101010000000010000000000000000000000000000000000	22-01-123464
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Brc1c(NC2C3C2CNC3)ncc(c1C)[N+](=O)[O-]	PC-id_113420674	313.151	QDUZVZNLCBUVCJ-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-123466
C1CC1NC2=NC=NC(=C2)NC[C@@]34C[C@@]3(CNC4)C(F)(F)F	MCULE-6425084253,PC-id_154807401,EMOLS-id_317767372	313.151	YUDXBUHKIIMVLJ-STQMWFEESA-N	00100010000000100001010000000000000000000000000000000000	22-01-123467
CCN1CC2C(C1)C2C[N-]CC3=CC(=CC=C3)OC(F)(F)F	PC-id_154457589	313.153	NHUKFXQTIOEHPD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-123468
COC1CCC(CC1[N+](=O)[O-])C(=O)OCC1CCC2C(C1)O2	PC-id_163792481	313.153	MXZNKIQSYKBBPQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-123469
C1C2C(C2N)CN1CC3=CC=C(C=C3)N4C=CC(=NC4=O)NO	PC-id_154650559	313.154	OFDSMLFDVFNAGJ-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-123470
Brc1c(CC2(CC3C(C3)C2)C(=O)O)cccc1F	PC-id_81515983	313.162	BOZWSVODNVOEDW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123471
Brc1c(CC2(CC3C(C3)C2)C(=O)O)ccc(F)c1	PC-id_80468263	313.162	PRJVRVQGKCPHRE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123472
Brc1c(CC2(CC3C(C3)C2)C(=O)O)cc(F)cc1	PC-id_80468211	313.162	BMFPLSMMQRSZGN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123473
Brc1cc(CC2(CC3C(C3)C2)C(=O)O)ccc1F	PC-id_80468150	313.162	PUXNITIVZPWPIX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123474
Brc1cc(CC2(CC3C(C3)C2)C(=O)O)cc(F)c1	PC-id_80467899	313.162	RSMPWLSRZPGJPQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123475
Brc1cc(CC2(CC3C(C3)C2)C(=O)O)c(F)cc1	PC-id_80467884	313.162	VXERRWSKZXUYDE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123476
Brc1cc(F)c(CC2(CC3C(C3)C2)C(=O)O)cc1	PC-id_80468235	313.162	JMFKTWKRGVPXCV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123477
COc1cc(F)c(cc1C(=O)C1C2C1CCC2)Br	PC-id_103394072	313.162	RVDPUHWGEVLLGQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123478
COc1cc(F)c(cc1C(=O)C1CC2C(C1)C2)Br	PC-id_103394125	313.162	WTJCKARLUVFXRS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123479
Brc1cnc(c(c1)F)C(=O)NC12CCCCC1C2	EMOLS-id_319827281	313.165	BWNDWGBSPHBIJI-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-123480
Brc1cnc(c(c1)F)C(=O)NC[C@@]12CCC[C@@H]1C2	EMOLS-id_319813121	313.165	HMMKZAGFQBEHSA-OQPBUACISA-N	00100010000010101000010000000000000000000000000000000000	22-01-123481
NC(=O)C1NCC2(C1C2)Cc1cc(Br)ccc1F	PC-id_144826747	313.165	PCPBAGTXIQVHJL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-123482
O=C(C1NCC2C1C2)NCc1cc(Br)ccc1F	PC-id_140733534	313.165	SBLPGLGVCRVIBS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-123483
O=C(C1NCC2[C@@H]1C2)NCc1cc(Br)ccc1F	PC-id_118007994,SCHEMBL16634967	313.165	SBLPGLGVCRVIBS-HLIOBJQSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-123484
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CC[C@H](C1[C@H]2[C@H]1CC(C2)C(C=O)C=O)C3=CC=CC=C3C(=O)N	PC-id_153288859	313.168	RUWXQZOLWUSPDM-KDXLTZCLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123486
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ICC1C2C1CN(C2)Cc1ccccc1	PC-id_140794827	313.177	XAGRGGOLASLJGR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-123488
ICC1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	SCHEMBL19023778	313.177	XAGRGGOLASLJGR-YHWZYXNKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-123489
IC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	SCHEMBL19023777	313.177	XAGRGGOLASLJGR-XYYAHUGASA-N	00100010000000110000010000000000000000000000000000000000	22-01-123490
Clc1ccc(c(c1)Cl)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319879837,MCULE-6767116107	313.179	AFQZNLTZSZLKJU-CLAHSXSESA-N	00100000000010110000010000000000000000000000000000000000	22-01-123491
Clc1cc(Cl)cc(c1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	MCULE-4183242507,EMOLS-id_319834317	313.179	WMLDUZDMQHUSKB-OTYXRUKQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-123492
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COc1cc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c(Br)cn1	ZINC22_621297082,MCULE-5337338861,EMOLS-id_316105953	313.19	AREYWDYAUWQCPG-URLYPYJESA-N	00100010000000101000010000000000000000000000000000000000	22-01-123498
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OC(C1C2C1CCCC2)Cc1cccc(c1Br)F	PC-id_113664254	313.205	MZSMHJNIAXQNFL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-123514
OC(C1C2C1CCCC2)Cc1ccc(c(c1)Br)F	PC-id_115779732	313.205	QDUXKFBVTJOVPV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-123515
OC(C1C2C1CCCC2)Cc1ccc(cc1Br)F	PC-id_115786968	313.205	UCBMIFJQBJBMHP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-123516
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NNC(C1C2C1CCC2)Cc1cc(Br)ccc1F	PC-id_105294964	313.209	FCRUYQVOIYIRGA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123519
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NNC(C1C2C1CCC2)Cc1ccc(cc1Br)F	PC-id_105296715	313.209	SKXFGMNEWBMKBA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123521
NNC(C1C2C1CCC2)Cc1cccc(c1Br)F	PC-id_105327137	313.209	ZJHAVBCHUKZOEP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123522
NNC(C1C2C1CCC2)Cc1ccc(cc1F)Br	PC-id_105297465	313.209	MFASSBHQALHGSS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123523
NNC(C1C2C1CCC2)Cc1cc(F)ccc1Br	PC-id_105297078	313.209	OJCSEPAUNCGAOJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123524
NNC(C1C2C1CCC2)Cc1cc(F)cc(c1)Br	PC-id_105324849	313.209	SIFLFIOGOKSYNB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123525
NNC(C1CC2C(C1)C2)Cc1cc(Br)ccc1F	PC-id_105294896	313.209	SYTKTRDEKBURAP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123526
NNC(C1CC2C(C1)C2)Cc1ccc(c(c1)Br)F	PC-id_105290408	313.209	RAUFDRIIEDWMQA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123527
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NNC(C1CC2C(C1)C2)Cc1cccc(c1Br)F	PC-id_105327069	313.209	LFFDCLSDRXTAIK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-123529
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[Si](O[Si](CC[Si])(C)C)(CCC1CC2OC2CC1)(C)C	PC-id_20640903	313.635	HTFGVKUBYZEMNA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-124062
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CC1C[C@]2(C[C@H]2N1C(C)(C)C)CN(C)S(=O)(=O)CCC=C	PC-id_153306638	314.203	PCQYCTSGUQLYFY-VVRWDSKXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-124160
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CC12CCN(CC1C2(Cl)Cl)C(=O)OCc1ccccc1	EMOLS-id_331224905	314.207	WTRNVJOSZFEORM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124162
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Clc1c(C(O)CNC(=O)C2C3C2CCC3)ccc(Cl)c1	MCULE-8513665520,EMOLS-id_45659049,PC-id_71924719	314.207	HWMYSZGFQCWORT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124164
ClC1(Cl)C2C1N(C(=O)CC2C)Cc1ccc(OC)cc1	SCHEMBL7920512,PC-id_21998679	314.207	ODVLVQKGWLDCNO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124165
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ClC1(Cl)[C@H]2[C@@H]1N(C(=O)C[C@@H]2C)Cc1ccc(OC)cc1	PC-id_11415761	314.207	ODVLVQKGWLDCNO-FZZIBODNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124167
COc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1CC[C@H]2C[C@H]12	ZINC22_1875341544	314.207	XLSGIBMVJLKXFO-GUBZILKMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124168
COc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]12	ZINC22_1875341545	314.207	XLSGIBMVJLKXFO-KXUCPTDWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124169
COc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1CC[C@H]2C[C@@H]12	ZINC22_1875341546	314.207	XLSGIBMVJLKXFO-LPEHRKFASA-N	00100010000010110000010000000000000000000000000000000000	22-01-124170
COc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1CC[C@@H]2C[C@H]12	ZINC22_1875341547	314.207	XLSGIBMVJLKXFO-UTLUCORTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124171
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1Cl)Cl)C	EMOLS-id_320262912,MCULE-2516430819	314.207	DDBZQPAMFWKFLO-MEBBXXQBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124172
OC[C@]12C[C@H]1CCCN2C(=O)Cc1cc(Cl)ccc1Cl	EMOLS-id_319062227	314.207	AVTBHGOGYCRJIB-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124173
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O=C(C1[C@@H]2[C@H]1CCC2)NC[C@H](c1ccc(cc1Cl)Cl)O	PC-id_97076703	314.207	HWMYSZGFQCWORT-ABTTWSKBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124176
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O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)C1[C@@H]2CCC[C@@H]12	PC-id_98792067,ZINC22_107509671	314.207	HWMYSZGFQCWORT-BREBYQMCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124179
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CCCC[Si](C)(C)O[Si](C)(C)CCC1CCC2C(C1)O2	PC-id_154527667	314.21	JOSSPCLDBQOGFM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-124182
C[C@@H]1C[C@]2(C[C@H]2N1C(C)(C)C)CNC(=O)C3CCCC3(F)F	PC-id_153298781	314.217	QMTUGIDAFNOUPY-RQYPDSRBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-124183
BrCC1(CN2C(=O)C3C(C3C2=O)(C)C)CCCC1	PC-id_65001231	314.218	OROFXHHLDTWBJX-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-124184
BrCC1(CN2C(=O)C3C(C3)C2=O)CCCCCC1	PC-id_65010492	314.218	FLEXBAQNHLBHCZ-UHFFFAOYSA-N	00100010000000000100010000000000000000000000000000000000	22-01-124185
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CC1([C@H]2C1=C[C@H](C2)NCCc1c(ccc(c1Cl)F)Cl)C	PC-id_134466192,SCHEMBL20103783	314.225	SPJQKFOXBNPJTL-BXKDBHETSA-N	00100011000000110000010000000000000000000000000000000000	22-01-124188
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O=C(N[C@@]12CCC[C@@H]1C2)CCc1ccsc1Br	MCULE-3461629660,EMOLS-id_319886373	314.241	FONDXNJJENWCNQ-ZWNOBZJWSA-N	00100010100110000000010000000000000000000000000000000000	22-01-124201
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c1ccc(cc1)COc1c(c(cc2c1O2)[N+](=O)[O-])C=C[N+](=O)[O-]	PC-id_86745996	314.25	NPRUYXKDNGDZJE-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-124203
Clc1cc(C(C(O)C2C3C2CCCC3)CN)ccc1Cl	PC-id_81633744	314.25	NXWSQICBFGAWKK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124204
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BrCC1CCCC1CNC(=O)C1C2C1CCCC2	PC-id_113276201	314.261	WBOZZBQRSSWOLE-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-124221
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BrCC1(CCCCC1)NC(=O)C1C2C1CCCC2	PC-id_114314045	314.261	MFDZEKKNMDZSBR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-124231
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Cc1ccc(cc1NC1CCC[C@H]2[C@@H]1C2)C(=O)N1CCOCC1	EMOLS-id_319357764,MCULE-1868669277	314.422	APHZRPJYHPXICG-UMFITKPXSA-N	00100000000010110001010000000000000000000000000000000000	22-01-124601
Cc1ccc(c(c1)OC1CCN(CC1)C(=O)[C@@H]1C[C@@H]2[C@H](N1)C2)C	MCULE-8459522266,EMOLS-id_318224501	314.422	MCXKRHJVVGVPMZ-OIISXLGYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124602
Cc1ccc(c(c1)OC1CCN(CC1)C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)C	EMOLS-id_319947335,MCULE-2705791741	314.422	ZDUJXNPXYJOLEU-VQFNDLOPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124603
Cc1cccc(NC(=O)CN(C)C(=O)C2[C@H]3CCCC[C@H]23)c1C	PC-id_98205725,ZINC22_101401322	314.422	DGVBVADLYPLAGZ-GJZGRUSLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124604
Cc1cccc(NC(=O)CN(C)C(=O)C2[C@@H]3CCCC[C@@H]23)c1C	ZINC22_101401332,PC-id_98205726	314.422	DGVBVADLYPLAGZ-HUUCEWRRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124605
Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c1C	ZINC22_252667700	314.422	DGVBVADLYPLAGZ-HWWDLCQESA-N	00100000000010110000010000000000000000000000000000000000	22-01-124606
CC1(C)[C@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C[C@@H]12	ZINC22_174090213	314.422	KEBHMOBSMZKUNY-BBWFWOEESA-N	00100010000010110001010000000000000000000000000000000000	22-01-124607
CC1(C)[C@@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C[C@@H]12	ZINC22_174090228	314.422	KEBHMOBSMZKUNY-ZACQAIPSSA-N	00100010000010110001010000000000000000000000000000000000	22-01-124608
CC1(C)[C@@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C[C@@H]12	ZINC22_246752788	314.422	KEBHMOBSMZKUNY-BRWVUGGUSA-N	00100010000010110001010000000000000000000000000000000000	22-01-124609
CC1(C)[C@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C[C@@H]12	ZINC22_246752797	314.422	KEBHMOBSMZKUNY-IXDOHACOSA-N	00100010000010110001010000000000000000000000000000000000	22-01-124610
CC(C)(COc1ccccc1C1CC1)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12	BindingDB-id_599490,SCHEMBL16252667	314.422	OKZIEPMHZZKHKP-QLPKVWCKSA-N	00100010000000110000110000000000000000000000000000000000	22-01-124611
C=CCNC1C2C1CN(C2)C(=O)C(c1ccccc1)(C(C)C)O	PC-id_11525538,SCHEMBL3622618	314.422	SUCHNDJSXPBFNI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124612
C=CCNC1C2C1CN(C2)C(=O)C(C(c1ccccc1)(O)C)C	SCHEMBL5247905,PC-id_69370566	314.422	GXWXYLTWPHJGAN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124613
CC(C=O)C(CN1CC2C(C1)C2NCC=C)(c1ccccc1)O	PC-id_90869222	314.422	RKYUEMXDQNXKRW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124614
CCN(CC)C(=O)c1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1	PC-id_98205706,ZINC22_101401204	314.422	HBUDBVAVBODQEG-HOTGVXAUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124615
CCN(CC)C(=O)c1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1	ZINC22_101401209,PC-id_98205707	314.422	HBUDBVAVBODQEG-HZPDHXFCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124616
CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)cc1	ZINC22_245484255	314.422	HBUDBVAVBODQEG-FVQHAEBGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124617
CCN(C(=O)c1ccc(cc1)NC(=O)C1C2C1CCCC2)CC	MCULE-4930860537,PC-id_72113148,EMOLS-id_42916930	314.422	HBUDBVAVBODQEG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124618
CCN(C(=O)c1ccc(cc1)NC(=O)C1[C@@H]2[C@H]1CCCC2)CC	PC-id_95784794	314.422	HBUDBVAVBODQEG-SJPCQFCGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124619
CCOc1ccc(cc1)/C(=N/NC(=O)C1C2CCCCC12C)/C	EMOLS-id_336471455,PC-id_9636597	314.422	PVITVAVLXUKEFR-DEDYPNTBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124620
CCOc1ccc(cc1)/C(=NNC(=O)[C@@H]1[C@@H]2[C@]1(C)CCCC2)/C	PC-id_98068934	314.422	PVITVAVLXUKEFR-KHPKEJGJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124621
CCOc1ccc(cc1)/C(=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2)/C	PC-id_98068935	314.422	PVITVAVLXUKEFR-AOMAFKISSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124622
CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C	PC-id_98247461,ZINC22_101838325	314.422	JJXBZIUQYCGJPC-IAGOWNOFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124623
CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@H]2[C@H](C1)C2(C)C	PC-id_98247462,ZINC22_101838333	314.422	JJXBZIUQYCGJPC-IRXDYDNUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124624
CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@H]2[C@@H](C1)C2(C)C	ZINC22_90421570,PC-id_97103244	314.422	JJXBZIUQYCGJPC-CALCHBBNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124625
CC(=O)N(CC(=O)N1CC2C(C1)C2(C)C)CCc1ccccc1	PC-id_75434905,MCULE-7521268387,EMOLS-id_48801253	314.422	JJXBZIUQYCGJPC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124626
CNC1C2C1CN(C2)C(=O)C(C1CCCC1)(c1ccccc1)O	PC-id_90868220,SCHEMBL3612214	314.422	UAKPUGIHOJJYIU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124627
CNC1C2C1CN(C2)C(=O)[C@](c1ccccc1)(C1CCCC1)O	SCHEMBL3618425,PC-id_59153352	314.422	UAKPUGIHOJJYIU-QMUDONBSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124628
CN(C(=O)C1C2C1CCCC2)CC(=O)Nc1cccc(c1C)C	EMOLS-id_42916950,MCULE-7872342361,PC-id_72113067	314.422	DGVBVADLYPLAGZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124629
CN(C(=O)C1[C@@H]2[C@H]1CCCC2)CC(=O)Nc1cccc(c1C)C	PC-id_95784802	314.422	DGVBVADLYPLAGZ-MVVMVCHASA-N	00100000000010110000010000000000000000000000000000000000	22-01-124630
COc1cccc(c1)C1(CCC1)NC(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_316332162,MCULE-7751286659	314.422	BXCOKBXIKOLNNT-WBTZKQGOSA-N	00101000000010110000110000000000000000000000000000000000	22-01-124631
COc1ccc(cc1)C1CCCCCN1C(=O)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_320090842,MCULE-2859798842	314.422	OREOOZWXKSTLPQ-BNPODCLYSA-N	00100010000000110100110000000000000000000000000000000000	22-01-124632
COc1ccccc1C1CNCCN1C(=O)C1C2C1CCCC2	PC-id_120735385	314.422	ZIVMRVGXNHTLHW-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-124633
COc1ccc(cc1)CC1CCCCN1C(=O)[C@@H]1[C@@H]2[C@H]1CNC2	MCULE-2642680714	314.422	HVYKNFQHTXVGLW-ZNTGEFMVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124634
COc1cccc(c1)CC1CCN(CC1)C(=O)[C@@H]1C[C@@H]2[C@H](N1)C2	MCULE-8693665415,EMOLS-id_318035706	314.422	QGUFFDNHNKCCGI-NXHRZFHOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124635
COc1cccc(c1)[C@@H]1C[C@H](C1)N(C(=O)NC1[C@@H]2[C@H]1CCC2)C	EMOLS-id_316914296	314.422	QDCUPODURMJVQP-DRLAJDNBSA-N	00101010000010110000110000000000000000000000000000000000	22-01-124636
COc1ccc(cc1)CN1C[C@@H]2[C@H](C1)C2CC(=O)N1CCCC1	PC-id_98815658	314.422	DNBJLMXKUJYVLX-AYHJJNSGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124637
COc1ccc(cc1NC1CCC[C@@H]2[C@H]1C2)C(=O)N1CCCC1	EMOLS-id_318073187	314.422	YKCJOJOAFFOMMU-GVJPCGBOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124638
COc1cccc(C2(NC(=O)N[C@H]3CCC[C@@H]4C[C@H]34)CCC2)c1	ZINC22_665117035	314.422	BXCOKBXIKOLNNT-COXVUDFISA-N	00101000000010110000110000000000000000000000000000000000	22-01-124639
COc1cccc(C2(NC(=O)N[C@@H]3CCC[C@@H]4C[C@H]34)CCC2)c1	ZINC22_665117036	314.422	BXCOKBXIKOLNNT-XOKHGSTOSA-N	00101000000010110000110000000000000000000000000000000000	22-01-124640
COc1cccc([C@H]2C[C@H](N(C)C(=O)N[C@@H]3[C@H]4CCC[C@@H]34)C2)c1	ZINC22_458724676	314.422	QDCUPODURMJVQP-BXRKJMPVSA-N	00101010000010110000110000000000000000000000000000000000	22-01-124641
COc1cccc([C@H]2C[C@H](N(C)C(=O)N[C@H]3[C@H]4CCC[C@@H]34)C2)c1	ZINC22_458724678	314.422	QDCUPODURMJVQP-PZTJNICRSA-N	00101010000010110000110000000000000000000000000000000000	22-01-124642
COc1ccc(CN2C[C@H]3[C@@H](CC(=O)N4CCCC4)[C@H]3C2)cc1	EMOLS-id_46141623,ZINC22_107745914	314.422	DNBJLMXKUJYVLX-BCDXTJNWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124643
COc1cccc(N2CCN(C(=O)[C@@]3(C)C[C@@H]4C[C@@H]4C3)CC2)c1	ZINC22_338558130	314.422	LIFSDRYHHUGDRD-CCWDJLKJSA-N	00100010000010110001110000000000000000000000000000000000	22-01-124644
COc1cccc(N2CCN(C(=O)C3(C)C[C@@H]4C[C@H]4C3)CC2)c1	ZINC22_338558131	314.422	LIFSDRYHHUGDRD-GJZGRUSLSA-N	00100010000010110001110000000000000000000000000000000000	22-01-124645
COc1cccc(N2CCN(C(=O)C3(C)C[C@H]4C[C@@H]4C3)CC2)c1	ZINC22_338558132	314.422	LIFSDRYHHUGDRD-HUUCEWRRSA-N	00100010000010110001110000000000000000000000000000000000	22-01-124646
NC1C2C1CN(C2)C(=O)C(c1ccc(cc1)C)(C1CCCC1)O	PC-id_11529746,SCHEMBL3618408	314.422	QAUOWGDNFBUBRB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124647
NCC1C2C1CN(C2)C(=O)C(c1ccccc1)(C1CCCC1)O	PC-id_11602104,SCHEMBL3616003	314.422	OCZZAEGMLHRCRX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124648
NCC1(c2ccccc2)CCN(C(=O)[C@@H]2[C@H]3CCCO[C@@H]23)CC1	ZINC22_1615555776,EMOLS-id_316784573,MCULE-2402318794	314.422	XYNPDFHYOYIENS-BRWVUGGUSA-N	00100000000010110000110000000000000000000000000000000000	22-01-124649
OC1CCC(CC1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319743168	314.422	VOGGHLIWPRFPAJ-JREVHRFXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124650
OC1CCN(CC1)Cc1ccccc1NC(=O)C1C2C1CCC2	PC-id_109973338	314.422	MSIYHVYXPFHIQS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124651
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)CN1CCCC1	EMOLS-id_319902542,MCULE-6108756995	314.422	HFWAZHURVUZBOP-IEBWSBKVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124652
OC[C@]12C[C@H]1CCCN2C(=O)C1CCN(C1)Cc1ccccc1	EMOLS-id_319459408	314.422	RPTQTWHJANWBDB-DOGRWBMSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124653
O=C(C1C2C1CCC2)NCc1ccnc(c1)OC1CCCCC1	EMOLS-id_100428787	314.422	JXNUXMSWDLHFRL-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-124654
OC(C1CCCC1)(C(=O)NCC12C(C1)CNC2)c1ccccc1	SCHEMBL4475860,PC-id_69057635	314.422	QLAAXGYAZCUXDE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124655
OC(C1CCCC1)(C(=O)NCC12[C@H](C1)CNC2)c1ccccc1	SCHEMBL4475858,PC-id_69057634	314.422	QLAAXGYAZCUXDE-IPJUCJBFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124656
OC(C1CCCC1)(C(=O)NCC1C2C1CNC2)c1ccccc1	PC-id_69055739,SCHEMBL4470376	314.422	PCPFGLDZSNFCQW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124657
OC(C1CCCC1)(C(=O)NCC1C2[C@@H]1CNC2)c1ccccc1	PC-id_69055740	314.422	PCPFGLDZSNFCQW-KZIPQDEESA-N	00100010000000110000010000000000000000000000000000000000	22-01-124658
O[C@@](C1CCCC1)(C(=O)NCC1[C@H]2[C@@H]1CNC2)c1ccccc1	PC-id_9863259	314.422	PCPFGLDZSNFCQW-RZRMAFQFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124659
O[C@](C1CCCC1)(C(=O)NCC1[C@H]2[C@@H]1CNC2)c1ccccc1	PC-id_9998047	314.422	PCPFGLDZSNFCQW-SUTQANCOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124660
OC(C1CCCC1)(C(=O)NCC1[C@H]2[C@@H]1CNC2)c1ccccc1	SCHEMBL13303750,PC-id_10020810	314.422	PCPFGLDZSNFCQW-GIOYIUAESA-N	00100010000000110000010000000000000000000000000000000000	22-01-124661
O=C(c1ccc(cc1)CNC1CCC[C@@H]2[C@H]1C2)N1CCOCC1	EMOLS-id_318135329,MCULE-8505126827	314.422	CEQHBIUCVNJKHA-MYFVLZFPSA-N	00100000000010110001010000000000000000000000000000000000	22-01-124662
O=C(c1ccc(cc1)CNC1CCC[C@H]2[C@@H]1C2)N1CCOCC1	EMOLS-id_319941889	314.422	CEQHBIUCVNJKHA-DVKDBIPTSA-N	00100000000010110001010000000000000000000000000000000000	22-01-124663
O=C(c1cccc(c1)CNC1CCC[C@H]2[C@@H]1C2)N1CCOCC1	EMOLS-id_320023367	314.422	SRVLYKFJSLYMHY-OEQNEYKNSA-N	00100000000010110001010000000000000000000000000000000000	22-01-124664
O=C(c1cccc(c1)CNC1CCC[C@@H]2[C@H]1C2)N1CCOCC1	MCULE-5740800772,EMOLS-id_317967602	314.422	SRVLYKFJSLYMHY-CTDRKSARSA-N	00100000000010110001010000000000000000000000000000000000	22-01-124665
OCC1CCN(CC1)c1ccccc1NC(=O)C1C2C1CCC2	EMOLS-id_318154030,PC-id_109892538	314.422	ILKVYEQZONBSIP-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-124666
OCC1(CCN(CC1)C(=O)NC1CC2C(C1)C2)c1ccccc1	EMOLS-id_102207544	314.422	WPYYQIRULBJBCK-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-124667
O=C(C1[C@@H]2[C@H]1CNC2)NC(COc1ccccc1C1CC1)(C)C	PC-id_117709169,BindingDB_PC-id_117709169	314.422	OKZIEPMHZZKHKP-FKEKPDDDSA-N	00100010000000110000110000000000000000000000000000000000	22-01-124668
O=C(C1OCCN(C1)Cc1ccccc1)N1CC2C(C1)C2(C)C	MCULE-9101402941,EMOLS-id_316852197	314.422	KEBHMOBSMZKUNY-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-124669
O=C(C(c1ccccc1)(C1CCCC1)O)NC[C@@H]1[C@@H]2C1CNC2	SCHEMBL4470378	314.422	PCPFGLDZSNFCQW-SDDULXJBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124670
O=C(NS(=O)(=O)c1sc(c(n1)C)C)CC1CCC2C1C2	EMOLS-id_112084232	314.424	RFHHTWFMAYVGLA-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-124714
O=C(C(c1ccccc1)(C1CCCCC1)O)NC1C2C1CNC2	PC-id_10245127,SCHEMBL5948317	314.422	NAGSORRIFBXMEF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124671
O=C(C(c1ccccc1)(C1CCCCC1)O)N[C@@H]1[C@@H]2C1CNC2	SCHEMBL5948028	314.422	NAGSORRIFBXMEF-SDDULXJBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124672
O=C([C@@H]1[C@@H]2C1CNC2)NC(COc1ccccc1C1CC1)(C)C	SCHEMBL19724626	314.422	OKZIEPMHZZKHKP-XJIUDMAQSA-N	00100010000000110000110000000000000000000000000000000000	22-01-124673
O=C([C@@H]1[C@@H]2[C@H]1CNC2)N(Cc1ccccc1)CC1CCOCC1	EMOLS-id_319653784	314.422	QXUPMSCEUGOFGW-PIIMJCKOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124674
OC(C(=O)N(C1C2C1CNC2)C)(C1CCCC1)c1ccccc1	PC-id_77686194	314.422	HYFJDQZZYLIAGR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124675
OC(C(=O)NC1C2[C@@H]1CNC2)(C1CCCCC1)c1ccccc1	PC-id_69617208	314.422	NAGSORRIFBXMEF-KZIPQDEESA-N	00100010000010110000010000000000000000000000000000000000	22-01-124676
OC(C(=O)N(C1C2[C@@H]1CNC2)C)(C1CCCC1)c1ccccc1	PC-id_69617368	314.422	HYFJDQZZYLIAGR-KZIPQDEESA-N	00100010000000110000010000000000000000000000000000000000	22-01-124677
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1ccc(cc1)C(C)(C)C	MCULE-7753648427,EMOLS-id_319832180	314.422	JRBBGAZYXJXHRQ-BEFAXECRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124678
O=C(N1CCOCC1)Cc1ccc(cc1)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_320115984	314.422	JWCCNBCPWRDSGK-OEQNEYKNSA-N	00100000000010110001010000000000000000000000000000000000	22-01-124679
O=C(N1CCOCC1)Cc1ccc(cc1)NC1CCC[C@@H]2[C@H]1C2	MCULE-4931252390,EMOLS-id_318161399	314.422	JWCCNBCPWRDSGK-CTDRKSARSA-N	00100000000010110001010000000000000000000000000000000000	22-01-124680
O=C(N[C@H]1[C@@H]2CN(CCC3CCOCC3)C[C@H]12)c1ccccc1	ZINC22_958116430	314.422	YEYSQFQYPGRIMX-PIIMJCKOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124681
O=C(N[C@H]1[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@H]12)c1ccccc1	ZINC22_958114829	314.422	HYGNYKMTMPVYQM-BGTYHANMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124682
O=C(N[C@H]1[C@@H]2CN(CCC[C@H]3CCOC3)C[C@H]12)c1ccccc1	ZINC22_958114831	314.422	HYGNYKMTMPVYQM-DZJNRPSUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124683
O=C(NN=C(c1ccc(OCC)cc1)C)C1C2(C1CCCC2)C	PC-id_3800678	314.422	PVITVAVLXUKEFR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124684
O=C(N/N=C(c1ccc(OCC)cc1)/C)[C@H]1[C@@]2([C@H]1CCCC2)C	PC-id_26476279	314.422	PVITVAVLXUKEFR-CHUBYWGKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124685
O=C(N/N=C(c1ccc(OCC)cc1)/C)[C@@H]1[C@@]2([C@H]1CCCC2)C	PC-id_26476280	314.422	PVITVAVLXUKEFR-XALVKOJYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124686
O=C(O)[C@H](c1ccccc1)N1CCN(CC2C[C@H]3C[C@@H]3C2)CC1	ZINC22_1616035789	314.422	HOVIZXQWMYEJPF-BZSNNMDCSA-N	00100010000010110001010000000000000000000000000000000000	22-01-124687
O=C(O)[C@H](c1ccccc1)N1CCN(CC2C[C@@H]3C[C@H]3C2)CC1	ZINC22_1616035803	314.422	HOVIZXQWMYEJPF-KURKYZTESA-N	00100010000010110001010000000000000000000000000000000000	22-01-124688
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[Si](OC12C(O[Si](C)(C)C)(C1C)CCCCCC2)(C)(C)C	PC-id_13507730	314.611	AVILMSUUUDHINV-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-124878
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NC(C1C2C1CCC2)Cc1ccc(cc1Cl)Br	PC-id_113673593	314.648	WCZDGJJHNSIYCF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124881
NC(C1CC2C(C1)C2)Cc1ccc(cc1Cl)Br	PC-id_113673606	314.648	HMMYWKQFOWFGPC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124882
NCC1(CC2C(C1)C2)Cc1ccc(cc1Cl)Br	PC-id_116078421	314.648	JJGQSBWLHKUWMF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124883
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cc(F)c(cc1Cl)F	EMOLS-id_319141796	314.715	JMDZZJMCMXWPCX-UOWDBTKRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124884
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cc(F)c(cc1F)Cl	EMOLS-id_318867481	314.715	PZTOFQXUKKYPDY-UOWDBTKRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124885
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Clc1ccc(cc1)S(=O)(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_318838597	314.788	GBDCAGUATARZIN-RNCFNFMXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124889
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Clc1cc(NC(=O)C2C3C2CCC3)ccc1S(=O)(=O)N	PC-id_81643410	314.788	KDOLJMUPDSLGAN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124891
Clc1cc(NC(=O)C2CC3C(C3)C2)ccc1S(=O)(=O)N	PC-id_80467834	314.788	YQXPRIHRDWMVEH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124892
Clc1c(NC(=O)C2C3C2CCC3)ccc(S(=O)(=O)N)c1	PC-id_81643967	314.788	QTMRRCSMIFRIMP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124893
Clc1c(NC(=O)C2C3C2CCC3)cc(S(=O)(=O)N)cc1	PC-id_81636832	314.788	KKRCMIIRHFGENH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124894
Clc1c(NC(=O)C2CC3C(C3)C2)ccc(S(=O)(=O)N)c1	PC-id_80468045	314.788	HIHIZYMNAJSJMI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124895
Clc1c(NC(=O)C2CC3C(C3)C2)cc(S(=O)(=O)N)cc1	PC-id_80469460	314.788	VAOOEUGINIXYMI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124896
NC(=O)[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccccc1Cl	EMOLS-id_319225896	314.788	BEDSKSMYBWHTDF-RNCFNFMXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124897
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1ccc(cn1)Cl	EMOLS-id_112095437	314.788	VOZZERHPHJVJBT-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-124898
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1cncc(c1)Cl	EMOLS-id_112095560	314.788	VWQLZQBWZUGGQW-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-124899
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O=C(C1[C@@H]2[C@H]1CCCC2)NS(=O)(=O)c1ccc(cn1)Cl	PC-id_96565281	314.788	QVQJGKUFZWGCML-DHHPTOIESA-N	00100000000010101000010000000000000000000000000000000000	22-01-124901
O=C(NS(=O)(=O)c1ccc(Cl)cn1)C1[C@H]2CCCC[C@H]12	ZINC22_101500459,PC-id_98217768	314.788	QVQJGKUFZWGCML-UWVGGRQHSA-N	00100000000010101000010000000000000000000000000000000000	22-01-124902
O=C(NS(=O)(=O)c1ccc(Cl)cn1)C1[C@@H]2CCCC[C@@H]12	ZINC22_101500463,PC-id_98217769	314.788	QVQJGKUFZWGCML-NXEZZACHSA-N	00100000000010101000010000000000000000000000000000000000	22-01-124903
O=C(NS(=O)(=O)c1ccc(Cl)cn1)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_246549530	314.788	QVQJGKUFZWGCML-IAZYJMLFSA-N	00100000000010101000010000000000000000000000000000000000	22-01-124904
O=C(NS(=O)(=O)c1ccc(cn1)Cl)CC1CCC2C1C2	EMOLS-id_112077986	314.788	LPMOMCHWODLBPD-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-124905
O=C(NS(=O)(=O)c1cncc(c1)Cl)CC1CCC2C1C2	EMOLS-id_112078805	314.788	CCPPCRDJIOIHJY-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-124906
Cc1ccc(c(c1)Cc1ccc(cc1)O[C@H]1O[C@@H]2[C@H](C1)C2)Cl	SCHEMBL17898995,PC-id_121460683	314.806	VQFWGXKBMCVCNI-SNRMKQJTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124907
Clc1ccc(C=CC2C3C(C3CC=C2)(C(=O)C)C(=O)C)cc1	PC-id_73410469	314.806	XUEBTMNXOHDXCL-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-124908
Clc1ccc(/C=C/[C@@H]2[C@@H]3C([C@@H]3CC=C2)(C(=O)C)C(=O)C)cc1	PC-id_17759701	314.806	XUEBTMNXOHDXCL-ZWQINLGBSA-N	00100000000011110000010000000000000000000000000000000000	22-01-124909
Cc1c(n(cc1C(=O)N1CC2CC2C1)C)c1ccc(cc1)Cl	PC-id_90296640,SCHEMBL15894875	314.809	GSHCMUYZXBLEET-UHFFFAOYSA-N	00100010110000110000110000000000000000000000000000000000	22-01-124910
Clc1ccc(cc1)c1[nH]c(c(c1C)C(=O)N1CC2C(C1)C2)C	PC-id_141343507	314.809	VRIUWUNAOKODLG-UHFFFAOYSA-N	00100010110000110000110000000000000000000000000000000000	22-01-124911
Cc1ccc(cc1)S(=O)(=O)OC1([C@H]2[C@@H]1CCC2)CCCl	PC-id_134864410	314.828	HEIKTLPSBCLWAK-YIONKMFJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124912
ClCCCC1(C2([Si](C)(C)C)C1C(=O)C=C2)COC(=O)C	PC-id_85257633	314.88	LJOWEAOLFCGLIV-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-124913
ClCCCC1([C@@]2([Si](C)(C)C)[C@@H]1C(=O)C=C2)COC(=O)C	PC-id_10757692	314.88	LJOWEAOLFCGLIV-LOWNFYCTSA-N	00100011000000000000010000000000000000000000000000000000	22-01-124914
ClCCCC1(COC(=O)C)C2[C@]1(C=CC2=O)[Si](C)(C)C	PC-id_102376588	314.88	LJOWEAOLFCGLIV-NRXISQOPSA-N	00100011000000000000010000000000000000000000000000000000	22-01-124915
C12([2H])CC(C(CC1(O2)C(=O)OC)Br)Br	PC-id_134892243	314.977	MUDQKYUHSPHYDA-RAMDWTOOSA-N	00100000000010000000010000000000000000000000000000000000	22-01-124916
CC1[C@@H](C(C2C(C2(O1)[I-]C)O)OC)O	PC-id_163748557	315.01	UOAHWFYQMKQGOR-GTTJCHINSA-N	00100000000010000000010000000000000000000000000000000000	22-01-124917
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CC1([C@H]2[C@@H]1CC(C2)NCCc1c(ccc(c1Cl)F)Cl)C	PC-id_163893824	315.096	QDWAMXXZFIRLTM-CLYYMRHHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124919
C1[C@@H]2[C@H]1[C@H](N(C2)C(=O)C3=C(SC=C3)C4=CC=C(C=C4)F)C[NH-]	PC-id_161596790	315.097	WSWLEDMPBYCIKS-TUKIKUTGSA-N	00100010100100110000110000000000000000000000000000000000	22-01-124920
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CC(C1=CC=CC=C1)OC2C3C2(CNC3)OC(=O)C(F)(F)F	PC-id_154630001	315.108	FQFAWXHRALBLLJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-124922
C=CN(C1CC1)C1C(C=C(C2C1(C2F)F)F)C(=O)CC(=O)O	PC-id_163810755	315.108	NNACJYUHWSEDRW-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-124923
CC1=C(C=C(C=C1)N(C)S(=O)(=O)C2CC3C(C2)C3(F)F)C	PC-id_154789289,MCULE-9272648551,EMOLS-id_317756123	315.11	LAFUHZQLGNFDHY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124924
C[C@H](C1CCC(=O)C2C(C1=O)N2)C(=O)C3=CC=CC=C3C(=O)O	PC-id_148375111	315.111	LNBJJGSROUUVIM-YFJCUNNUSA-N	00100000000000110100010000000000000000000000000000000000	22-01-124925
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CC(C)C(C(=O)N1C2CC2CC1C(=O)NS)NC(=O)OC	PC-id_163848449	315.125	OSFWROSOMCLDPI-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-124927
CC1=NOC(=C1NC(=O)N2C[C@@H]3[C@H](C2)C3CF)C4=CC=CC=C4	PC-id_154760636	315.138	NIYXKKARDDWLJC-AGUYFDCRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-124928
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COC(=O)[C@@]12C[C@H]1CN(C(=O)c1cc(Cl)nc(Cl)c1)C2	ZINC22_1875370635	315.152	WUGGIPLQPDGTCZ-ISVAXAHUSA-N	00100010000000101000010000000000000000000000000000000000	22-01-124932
COC(=O)[C@]12C[C@@H]1CN(C(=O)c1cc(Cl)nc(Cl)c1)C2	ZINC22_1875370636	315.152	WUGGIPLQPDGTCZ-OQPBUACISA-N	00100010000000101000010000000000000000000000000000000000	22-01-124933
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Ic1cnc(cn1)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_319299168	315.153	XRULIOFMMKOEMJ-WGTSGOJVSA-N	00100000000010100001010000000000000000000000000000000000	22-01-124937
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Ic1cnc(nc1)NC1CCCC2C1C2	MCULE-3227409874	315.153	QHFHSIRXOCRDGV-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-124943
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BrCC1(CC2C(C2)C1)CCCOCC(F)(F)F	PC-id_80473211	315.17	WXPHWKKYTMXMLY-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-124951
BrC1CC(OCc2ccccc2F)C2(C(C1)O2)C	SCHEMBL8009635,PC-id_88235907	315.178	LQTKGIHRSHEVBB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124952
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COc1cc(F)c(cc1C(C1CC2C(C1)C2)O)Br	PC-id_103396033	315.178	LOTATBRQZDFOSS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-124954
CC1C=C(C(C2CC2C(=C1)C(=N)C(F)(F)F)C)OCC(C)C	PC-id_160378335	315.181	QCOBSHCSFKRMTK-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-124955
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BrC(C1C2C1CCCC2)c1cc(c(F)cc1F)C	PC-id_81636520	315.196	PSKCCQVKNWXLPD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124961
BrC(C1C2C1CCCC2)c1c(F)cc(c(F)c1)C	PC-id_81636673	315.196	WOOCCICXDWTJNE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124962
BrC(C1C2C1CCCC2)Cc1cc(F)c(F)cc1	PC-id_81637889	315.196	LFSUSGCEUPLYQF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124963
BrC(C1C2C1CCCC2)Cc1c(F)cccc1F	PC-id_81637215	315.196	SQULKYWBSLLLJZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124964
BrC(C1C2C1CCCC2)Cc1c(F)cc(F)cc1	PC-id_81638522	315.196	IYNWOCDWAWTULN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124965
BrC(C1C2C1CCCC2)Cc1c(F)c(F)ccc1	PC-id_81636577	315.196	MHMJIMGRJKAGFK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-124966
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COCCn1ncc(c1C(C1CC2C(C1)C2)O)Br	PC-id_115835749	315.206	CZQSJHOKHVEGTD-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-124970
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CC(c1cc(F)ccc1F)NS(=O)(=O)C1C2C1CCCC2	EMOLS-id_320074107,MCULE-5068711046	315.379	WPHOBBWSGUFQCC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125184
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Fc1ccc(c(c1)F)CN(S(=O)(=O)C1C2C1CCCC2)C	MCULE-2018345107,EMOLS-id_319927891	315.379	RTSXPFPHDJKSOW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125187
Fc1c(CCNS(=O)(=O)C2C3C2CCCC3)cccc1F	EMOLS-id_318911702	315.379	SKXWUOCDCNJIEZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125188
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COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3[C@H]4CCC[C@@H]34)C2)c1	ZINC22_248128592	315.407	IGMRORMRYMIFTP-QTXLCTLRSA-N	00100010000010110000110000000000000000000000000000000000	22-01-125231
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CO[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@@H]23)C[C@H]1Cc1ccccc1	ZINC22_585113476	315.407	ONQMARDAOMBTPR-SFFUCWETSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125233
CO[C@@H]1CCN(C(=O)[C@H]2[C@H]3COC[C@@H]23)C[C@H]1Cc1ccccc1	ZINC22_585113477	315.407	ONQMARDAOMBTPR-UYTYNIKBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125234
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[Si]12(N[Si]34C(=CCC3=CC)C4=CC)C(C1CC)(C2CC)CC	PC-id_60079425	315.601	JGVKXJWKQSPNQU-UHFFFAOYSA-N	00101011000000000000010000000000000000000000000000000000	22-01-125408
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Brc1cc(C(Cl)C2C3C2CCC3)c(OC)cc1	PC-id_81643750	315.633	STHMXBQEHPLCFV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125410
Brc1cc(C(Cl)C2CC3C(C3)C2)ccc1OC	PC-id_80470698	315.633	KIDBMSJHTPFCQO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125411
BrC(C1C2C1CCC2)c1cc(Cl)c(OC)cc1	PC-id_81638568	315.633	YMWPIXOAALDJQE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125415
BrC(C1C2C1CCC2)c1c(Cl)cc(OC)cc1	PC-id_81637998	315.633	HFAJNMKEZVWYLS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125416
BrC(C1CC2C(C2)C1)c1cc(Cl)c(OC)cc1	PC-id_80470490	315.633	IWTPZXQBVKUGBY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125417
BrC(C1CC2C(C2)C1)c1c(Cl)cc(OC)cc1	PC-id_80469670	315.633	SKQOLMULPOFWTE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125418
Clc1cccc(c1C(C1C2C1CCCC2)O)Br	PC-id_114269196	315.633	LQNYCFRCKIHGON-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125419
COc1ccc(cc1C(C1C2C1CCC2)Br)Cl	PC-id_104546438	315.633	IWCUMAOFISTJBI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125420
COc1ccc(cc1C(C1CC2C(C1)C2)Br)Cl	PC-id_104546565	315.633	ZQSVOYKATMXHES-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125421
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OC(C1CC2C(C1)C2)Cc1ccc(cc1Cl)Br	PC-id_113665105	315.633	CKMAJTJPYKRBKK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125423
OCC1(CC2C(C1)C2)Cc1ccc(cc1Cl)Br	PC-id_116079842	315.633	BAZRMBLWPXGKEO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-125424
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(Cl)s1	MCULE-5681470135,PC-id_135105735,ZINC22_1704316640,EMOLS-id_317350537	315.729	YDVHMLPRCVHWHP-TXEJJXNPSA-N	00100010100100000000010000000000000000000000000000000000	22-01-125425
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1sccc1Cl	MCULE-5613568586,PC-id_135094064,EMOLS-id_317349254,ZINC22_1704315413	315.73	CQLZHKXATGWQEQ-TXEJJXNPSA-N	00100010100100000000010000000000000000000000000000000000	22-01-125426
CCNc1ncc(cc1Cl)C(=O)NC1CC2C(C1)C2(F)F	EMOLS-id_319535473	315.746	IKVXAUCFLXQCMP-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-125427
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Clc1cc(C(=O)O)c(c(c1)S(=O)(=O)N1CC2C(C1)C2)C	MCULE-5586776789,EMOLS-id_317917058	315.773	RYJIPOIYBCZIGF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125438
Clc1cncc(c1)S(=O)(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319881894,MCULE-3384887587	315.776	OSLGBJIAUMVBDE-PELKAZGASA-N	00100000000010101000010000000000000000000000000000000000	22-01-125439
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Clc1ccc(Oc2ccc(NCC3[C@H]4COC[C@H]34)cc2)cc1	ZINC22_2325863273	315.794	CDSDUCXBDXPATA-QZTJIDSGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125445
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COc1ccc(c(c1)/C=N/NC(=O)[C@@H]1[C@H]2[C@@]1(C)CCCC2)OC	PC-id_100910584	316.395	NLJBFDQRIPHXFJ-ROGDOWOTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125762
COc1ccc(c(c1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2)OC	PC-id_27234289,CoCoCo_1693253	316.395	NLJBFDQRIPHXFJ-DZQJOEFFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125763
COc1ccc(c(c1)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2)OC	PC-id_27234291,CoCoCo_1693254,CoCoCo_1693255	316.395	NLJBFDQRIPHXFJ-OPDQTMHHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125764
COc1ccc(c(c1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2)OC	PC-id_92256895,CoCoCo_1693257	316.395	NLJBFDQRIPHXFJ-JHUFHWCKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125765
COc1ccc(c(c1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2)OC	PC-id_98068146	316.395	NLJBFDQRIPHXFJ-MHXGNYDWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125766
COc1ccc(c(c1)/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2)OC	PC-id_98068147	316.395	NLJBFDQRIPHXFJ-AIUZXNLTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125767
COc1ccc(c(c1)/C=N/NC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2)OC	PC-id_98151688	316.395	NLJBFDQRIPHXFJ-CYZOCEDXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125768
COc1ccc(c(c1)/C=N/NC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2)OC	PC-id_98151689	316.395	NLJBFDQRIPHXFJ-PJFATLCNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125769
COc1ccc(c(c1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2)OC	PC-id_98660582,CoCoCo_1693259	316.395	NLJBFDQRIPHXFJ-CIVLAZQXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125770
COc1ccc(c(c1)/C=NNC(=O)[C@@H]1[C@H]2[C@@]1(C)CCCC2)OC	PC-id_98660583	316.395	NLJBFDQRIPHXFJ-RXONHTAESA-N	00100000000010110000010000000000000000000000000000000000	22-01-125771
COc1ccc(c(c1)/C=NNC(=O)[C@@H]1[C@@H]2[C@]1(C)CCCC2)OC	PC-id_99733201	316.395	NLJBFDQRIPHXFJ-CUKLWOHFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125772
COc1ccc(cc1)C(=O)NCCNC(=O)C1C2C1CCCC2	PC-id_71867213,EMOLS-id_45762764,MCULE-1989286277	316.395	AEXCVMWOYLTYLC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125773
COc1ccc(cc1)C(=O)NCCNC(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_95927131	316.395	AEXCVMWOYLTYLC-XYPWUTKMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125774
COc1ccc(cc1OC)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_63321	316.395	SJSMAYIKPRLJRB-WLNVOTGBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125775
COc1ccc(cc1OC)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_63322	316.395	SJSMAYIKPRLJRB-KMCXGYSOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125776
O=C(Cc1csc(n1)c1ccc(o1)C)NC1CCCC2C1C2	EMOLS-id_318434553	316.418	XPUPQDAWUBUYRV-UHFFFAOYSA-N	00100000101010000001110000000000000000000000000000000000	22-01-125924
COc1ccc(cc1OC)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_63323	316.395	SJSMAYIKPRLJRB-NAUUFFFRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125777
COc1ccc(cc1OC)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_63324	316.395	SJSMAYIKPRLJRB-XRBXTVCRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125778
COc1ccc(cc1OC)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_63326	316.395	SJSMAYIKPRLJRB-TYUJWAAUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125779
COc1ccc(cc1OC)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_63327	316.395	SJSMAYIKPRLJRB-XPYLLEAFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125780
COc1ccc(cc1OC)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_63328	316.395	SJSMAYIKPRLJRB-DSCXRQQCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125781
COc1ccc(c(c1)OC)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_674953	316.395	ABXNPFIDBFQMEO-WXJBYKQOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125782
COc1ccc(c(c1)OC)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_674954	316.395	ABXNPFIDBFQMEO-MVSBUMKJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125783
COc1ccc(c(c1)OC)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_674955,PC-id_11905386	316.395	ABXNPFIDBFQMEO-OPDQTMHHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125784
COc1ccc(c(c1)OC)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_674956,PC-id_27273190	316.395	ABXNPFIDBFQMEO-DZQJOEFFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125785
COc1ccc(c(c1)OC)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_674959,PC-id_98661793	316.395	ABXNPFIDBFQMEO-CIVLAZQXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125786
COc1ccc(c(c1)OC)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_674960,PC-id_98645688	316.395	ABXNPFIDBFQMEO-DMNIJGCISA-N	00100000000010110000010000000000000000000000000000000000	22-01-125787
COc1ccc(c(c1)OC)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	PC-id_11905385,CoCoCo_674957,CoCoCo_674958	316.395	ABXNPFIDBFQMEO-CYXQDFGFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125788
COc1ccc(c(c1)OC)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	PC-id_93234431	316.395	ABXNPFIDBFQMEO-JHUFHWCKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125789
COc1ccc(cc1OC)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98068726	316.395	SJSMAYIKPRLJRB-RQLULRJVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125790
COc1ccc(cc1OC)/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98068727	316.395	SJSMAYIKPRLJRB-OFRUXLRASA-N	00100000000010110000010000000000000000000000000000000000	22-01-125791
COc1ccc(c(c1)OC)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98068729	316.395	ABXNPFIDBFQMEO-MHXGNYDWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125792
COc1ccc(c(c1)OC)/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98068731	316.395	ABXNPFIDBFQMEO-AIUZXNLTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125793
COc1ccc(c(c1)OC)/C=N/NC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98097917	316.395	ABXNPFIDBFQMEO-PJFATLCNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125794
COc1ccc(c(c1)OC)/C=N/NC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98118671	316.395	ABXNPFIDBFQMEO-CYZOCEDXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125795
COc1ccc(cc1OC)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	PC-id_99638422,CoCoCo_63325	316.395	SJSMAYIKPRLJRB-PNCSPWPDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125796
Brc1cc(C(Cl)C2C3C2CCCC3)c(OC)cc1	PC-id_81643749	329.66	BILGUMIMPNSILT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133215
COc1ccc(cc1O[C@H]1CCC2([C@@H]1C2)C)C1CNC(=O)NC1	PC-id_71179550,SCHEMBL14473155	316.395	XESNWYIYTAOLNU-RMAOKOMNSA-N	00100010000010110001110000000000000000000000000000000000	22-01-125797
COc1cccc([C@H]2CN(C[C@@H]3[C@H]4CNC[C@@H]34)C[C@@H]2C(=O)O)c1	ZINC22_1565507286	316.395	DYNDGDCUKWAFOS-ALYAQQCSSA-N	00100010000000110000110000000000000000000000000000000000	22-01-125798
COc1ccc(CN(C)C(=O)[C@@]23C[C@@H]2CN(C(=O)C)C3)cc1C	ZINC22_1776008242	316.395	XRALEKQVHJULIG-CRAIPNDOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125799
COc1ccc(CN(C)C(=O)[C@@]23C[C@H]2CN(C(=O)C)C3)cc1C	ZINC22_1776008243	316.395	XRALEKQVHJULIG-MAUKXSAKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125800
COc1ccc(CN(C)C(=O)[C@]23C[C@@H]2CN(C(=O)C)C3)cc1C	ZINC22_1776008244	316.395	XRALEKQVHJULIG-QAPCUYQASA-N	00100010000000110000010000000000000000000000000000000000	22-01-125801
COc1ccc(CN(C)C(=O)[C@]23C[C@H]2CN(C(=O)C)C3)cc1C	ZINC22_1776008245	316.395	XRALEKQVHJULIG-YJBOKZPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125802
COc1ccc(/C=N/NC(=O)C2C3CCCCC23C)cc1OC	PC-id_9591898,EMOLS-id_25787589,BAS-00406516	316.395	SJSMAYIKPRLJRB-YBFXNURJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125803
COc1ccc(/C=NNC(=O)C2C3CCCCC23C)c(OC)c1	EMOLS-id_25871562	316.395	ABXNPFIDBFQMEO-ODLFYWEKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125804
COc1ccc(/C=N/NC(=O)C2C3CCCCC23C)c(OC)c1	EMOLS-id_26954179,PC-id_5724657	316.395	ABXNPFIDBFQMEO-YBFXNURJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125805
COc1ccc(C(=O)NCCNC(=O)C2[C@H]3CCCC[C@H]23)cc1	PC-id_98205750,ZINC22_101401475	316.395	AEXCVMWOYLTYLC-GJZGRUSLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125806
COc1ccc(C(=O)NCCNC(=O)C2[C@@H]3CCCC[C@@H]23)cc1	ZINC22_101401482,PC-id_98205751	316.395	AEXCVMWOYLTYLC-HUUCEWRRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125807
COc1ccc(C(=O)NCCNC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)cc1	ZINC22_239359614	316.395	AEXCVMWOYLTYLC-ZSHCYNCHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125808
COc1ccc(OC)c(/C=N/NC(=O)C2C3CCCCC23C)c1	PC-id_9643989,EMOLS-id_26682763	316.395	NLJBFDQRIPHXFJ-YBFXNURJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125809
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)OC(C)(C)C	EMOLS-id_318929212	316.395	KCEMLZJXZMMTAJ-ACJLOTCBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125810
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)OC(C)(C)C	EMOLS-id_319704154	316.395	JQJJAZWXNDLIGB-ACJLOTCBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125811
O(C1C2C(C2)(CC1)C)c1cc(C2CNC(=O)NC2)ccc1OC	PC-id_78022865	316.395	XESNWYIYTAOLNU-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-125812
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)C(=O)NC(C)C	EMOLS-id_319545837	316.395	VZQRVOLRUXYHPU-CRAIPNDOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125813
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)N1CCOCC1	EMOLS-id_319992415,MCULE-2046416976	316.395	QFRQSTVWFLPIRU-CRAIPNDOSA-N	00100000000010110001110000000000000000000000000000000000	22-01-125814
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)NC(=O)C(C)C	EMOLS-id_319815397	316.395	MZQOIVJWOXZWFN-RDTXWAMCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125815
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(nc1)OC1CCCC1	EMOLS-id_318846930	316.395	QMXATOGYANFFEQ-RDTXWAMCSA-N	00100010000010101000010000000000000000000000000000000000	22-01-125816
OC[C@]12C[C@H]1CCCN2C(=O)C(NC(=O)c1cccc(c1)C)C	EMOLS-id_319714948	316.395	BORFHDMIFWUYIP-HQKHBYFDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125817
OC[C@]12C[C@H]1CCCN2C(=O)CNC(=O)c1cc(C)cc(c1)C	EMOLS-id_319219388	316.395	ANPVUHWSNYGSBX-CRAIPNDOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125818
O=C(C1C2C1CCCC2)N1CCC(CC1)NC(=O)c1cocc1	MCULE-1908832343,EMOLS-id_48246702,PC-id_75375580	316.395	USUWYKDDIJXRAN-UHFFFAOYSA-N	00100000101010000000010000000000000000000000000000000000	22-01-125819
O=C(c1ccc(c(c1)[N+](=O)[O-])C(C)(C)C)N1CC2C(C1)C2(C)C	EMOLS-id_111161506	316.395	IPPCOCRADYGWJE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125820
O=C(C1CCCCN1C(=O)c1ccco1)N1CC2C(C1)C2(C)C	EMOLS-id_111162387	316.395	GRTIGPCVWZGPCD-UHFFFAOYSA-N	00100010101010000000010000000000000000000000000000000000	22-01-125821
O=C(C1[C@@H]2[C@H]1CCCC2)N1CCC(CC1)NC(=O)c1cocc1	PC-id_95905163	316.395	USUWYKDDIJXRAN-XYPWUTKMSA-N	00100000101010000000010000000000000000000000000000000000	22-01-125822
O=C(CC1(O)COCC1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319719600	316.395	OZDZQYBGVCRVJP-ADLWXAHASA-N	00100010000000110000010000000000000000000000000000000000	22-01-125823
OCCCNC(=O)c1ccc(cc1)NC(=O)C1C2C1CCCC2	PC-id_109989107	316.395	CVQKKESNJRPGRG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125824
O=C([C@@H]1C[C@H]2[C@@H](N1C(=O)OC(C)(C)C)C2)NCc1ccccc1	SCHEMBL15142418	316.395	WIOWDXUCKGVCEQ-KKUMJFAQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125825
O=C([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NCc1ccccc1	SCHEMBL20116390	316.395	OXIUPLVBXXJQSV-FICVDOATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125826
O=C(N1CC2C(C1)C2(C)C)Nc1ccccc1OC1COCC1	EMOLS-id_111337514	316.395	QQOOKFKELBEWKH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125827
O=C(N1CC2C(C1)C2(C)C)Nc1ccc(cc1)OC1COCC1	EMOLS-id_111857420	316.395	QOVOAFZYIVIAAZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125828
O=C(NC1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1)c1ccoc1	PC-id_98206556,ZINC22_101406746	316.395	USUWYKDDIJXRAN-GJZGRUSLSA-N	00100000101010000000010000000000000000000000000000000000	22-01-125829
O=C(NC1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1)c1ccoc1	ZINC22_101406749,PC-id_98206558	316.395	USUWYKDDIJXRAN-HUUCEWRRSA-N	00100000101010000000010000000000000000000000000000000000	22-01-125830
O=C(NC1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)CC1)c1ccoc1	ZINC22_252477728	316.395	USUWYKDDIJXRAN-ZSHCYNCHSA-N	00100000101010000000010000000000000000000000000000000000	22-01-125831
O=C(N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)OCC1CCCO1	EMOLS-id_316970852,MCULE-4713016877	316.395	VXCWKRBGDDTTID-XIRIYYJZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125832
O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12)OC[C@@H]1CCCO1	ZINC22_685943781	316.395	VXCWKRBGDDTTID-MWDXBVQZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125833
O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12)OC[C@H]1CCCO1	ZINC22_685943782	316.395	VXCWKRBGDDTTID-NCOADZHNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-125834
O=C(NN/C=C/1C=C(OCC)C(=O)C=C1)C1C2(C1CCCC2)C	PC-id_16486874	316.395	VKNIOJQWMVYTFS-QXMHVHEDSA-N	00100000000011000000010000000000000000000000000000000000	22-01-125835
O=C(NNC=C1C=C(OCC)C(=O)C=C1)C1C2(C1CCCC2)C	PC-id_6813946	316.395	VKNIOJQWMVYTFS-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-125836
O=C(NNC=C1C=C(OCC)C(=O)C=C1)[C@H]1[C@@]2([C@H]1CCCC2)C	PC-id_40537749	316.395	VKNIOJQWMVYTFS-OWQGQXMQSA-N	00100000000011000000010000000000000000000000000000000000	22-01-125837
O=C(NNC=C1C=C(OCC)C(=O)C=C1)[C@@H]1[C@@]2([C@H]1CCCC2)C	PC-id_40537750	316.395	VKNIOJQWMVYTFS-XCRHUMRWSA-N	00100000000011000000010000000000000000000000000000000000	22-01-125838
BrC1(Br)[C@@H]2[C@H]1CC(=O)[C@H]2Br	PC-id_21590205	332.815	PNCCQWJUDCQEGF-WITFEUSKSA-N	00100010000000000000010000000000000000000000000000000000	22-01-134643
O=C(NN=Cc1cc(OC)c(OC)cc1)[C@H]1[C@@]2([C@H]1CCCC2)C	PC-id_5403388	316.395	SJSMAYIKPRLJRB-OWQGQXMQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125839
O=C(NN=Cc1cc(OC)c(OC)cc1)[C@@H]1[C@@]2([C@H]1CCCC2)C	PC-id_6542708	316.395	SJSMAYIKPRLJRB-XCRHUMRWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125840
O=C(NN=Cc1cc(OC)c(OC)cc1)[C@@H]1[C@]2([C@@H]1CCCC2)C	PC-id_6566376	316.395	SJSMAYIKPRLJRB-MZMPZRCHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125841
O=C(NN=Cc1c(OC)ccc(OC)c1)[C@H]1[C@@]2([C@H]1CCCC2)C	PC-id_34882871	316.395	NLJBFDQRIPHXFJ-ZVZYQTTQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125842
O=C(NN=Cc1c(OC)ccc(OC)c1)[C@@H]1[C@@]2([C@H]1CCCC2)C	PC-id_40510876	316.395	NLJBFDQRIPHXFJ-LESCRADOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125843
O=C(NN=C(c1c(OC)cc(OC)cc1)C)C1C2C1CCCC2	PC-id_4084401	316.395	PUFQPZYQNXCCHI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125844
O=C(N/N=C(/c1c(OC)cc(OC)cc1)C)C1C2C1CCCC2	PC-id_9646031	316.395	PUFQPZYQNXCCHI-YBFXNURJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125845
O=C(N/N=C(c1c(OC)cc(OC)cc1)/C)C1[C@@H]2[C@H]1CCCC2	PC-id_5409558	316.395	PUFQPZYQNXCCHI-MBXLHDRRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125846
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O=C(NN=Cc1c(OC)cc(OC)cc1)[C@@H]1[C@@]2([C@H]1CCCC2)C	PC-id_5508688	316.395	ABXNPFIDBFQMEO-LESCRADOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-125848
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[Si](OCC)(OCC)(OCC)CC(C1CC2OC2(CC1)C)C	PC-id_71333023	316.508	LZHWUDOGJRCANF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-126113
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C[Si](O/C(=CCC[C@@]12CCCC[C@@H]1O2)/c1ccccc1)(C)C	PC-id_101123578	316.51	OYZYLHHYHRLSEJ-OVVXSAMCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126115
BrC(C1C2C1CCCC2)c1c(c(c(c(c1C)C)C)C)C	PC-id_81636796	335.322	WAAIWSOWAGVNPY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135676
O=C([C@@]12CC[C@H]([C@@H]1C2)O[Si](C(C)(C)C)(C)C)c1ccccc1	PC-id_102076044	316.51	PDHOBFPRLSPPKQ-FRQCXROJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126116
CCCC1CCCC1CCC=C1CCC(C2(C1C2CC=C)C)O	PC-id_89234209	316.521	TUPHYGXZBFEOEV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-126117
CCCC1CCCC1CC/C=C
/CCC(C2(C1C2CC=C)C)O	SCHEMBL14049987	316.521	TUPHYGXZBFEOEV-AQTBWJFISA-N	00100010000010000000010000000000000000000000000000000000	22-01-126118
CNC(C1(C)CCCCCC1)C(=C)N1C[C@H]2[C@@H](C1C(=C)C)C2C	PC-id_143353086	316.524	SOIHBHGHAXILFJ-QUSDMVSHSA-N	00100010000000000100010000000000000000000000000000000000	22-01-126119
CCCC[C@@]([Si](c1ccccc1)(C)C)(C1[C@@H]2[C@H]1CCCC2)O	PC-id_101748078	316.553	FFUOKKYWEXJEAD-JIRNRHONSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126120
C[Si](C(C)(C)C)(OCC12CCCC(C1C2)C=C1C=CC=C1)C	PC-id_101719722	316.553	WZHRVSXHOJXDGU-UHFFFAOYSA-N	00100011000010000000010000000000000000000000000000000000	22-01-126121
O[C@@]([Si](c1ccccc1)(C)C)(C(C)(C)C)C1[C@@H]2[C@H]1CCCC2	PC-id_101748079	316.553	ZVEXPYPMAYWIAH-WMWLNJEOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126122
CCC(=C)C1CC(C)C(CC1CCCC1CCC2(C(C1)C2)C)C	PC-id_143227386	316.564	GZCFNIAYUIIRCM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-126123
CCCCCSSC(CN1CCN2C(C1)(C)C2C)(C)C	PC-id_144842903	316.569	AYRGBKNFIMOLBN-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-126124
O=C(N(c1cccc(n1)Br)Cl)[C@@H]1C[C@@H]2[C@H](N1)C2	PC-id_140295862	316.582	RSVVVGWNNQRKQF-PRJMDXOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-126125
O=C1C(=O)C=C(C2=C1C2)C=NNC(=O)c1ccc(c(c1)Cl)O	PC-id_141006588	316.696	PTFWKCWAWZIQPX-UHFFFAOYSA-N	00110000000011110000010000000000000000000000000000000000	22-01-126126
Clc1cccc(c1)c1noc(c1C(=O)NC1CCC2C1C2)C	EMOLS-id_318590705	316.782	CDIUZXXZWJNYIK-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-126127
OCC12CN(CC1C2)C(=O)c1cc(ccc1Cl)n1cccc1	EMOLS-id_318394539	316.782	ASAAJKLBYAUIPG-UHFFFAOYSA-N	00100010110000110000110000000000000000000000000000000000	22-01-126128
O=C(c1c(C)onc1c1ccccc1Cl)NC1CCC2C1C2	EMOLS-id_318481799	316.782	YUOXHDKHBUJYTG-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-126129
OC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1cc(ccc1Cl)n1cccc1	EMOLS-id_318674599	316.782	ZOLGPRMDILGLRW-FICVDOATSA-N	00100010110000110000110000000000000000000000000000000000	22-01-126130
Clc1ccc(c(c1)C(=O)NC1CCCC2C1C2)n1cncn1	EMOLS-id_318609892	316.785	NBOIEDWVKYXAHX-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126131
Clc1ccc(c(c1)C(=O)NC1CCC[C@H]2[C@@H]1C2)n1cncn1	EMOLS-id_318637052	316.785	NBOIEDWVKYXAHX-RBOJZIDYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126132
Clc1cccc(c1)n1ncc(c1)CNC(=O)N1CC2C(C1)C2	EMOLS-id_318399227	316.785	HOGXQFHKTLXHHP-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-126133
Clc1cccc(c1)n1nnc(c1C)C(=O)NC1CCC2C1C2	EMOLS-id_318421909	316.785	XAOANSAOQFXSIU-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-126134
Clc1cccc(c1)n1nnc(c1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111880309	316.785	FYJGQVTXQFDOCO-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-126135
Clc1cccc(c1)n1nnc(c1)C(=O)NC1CCCC2C1C2	EMOLS-id_318176410	316.785	LFLIWKJDQAKQDI-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126136
Clc1ccc(cc1)n1nnc(c1)C(=O)NC1CCCC2C1C2	EMOLS-id_318323937	316.785	KDZVFGIOYHMOIE-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126137
Clc1ccc(cc1)n1nnc(c1)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318475235	316.785	KDZVFGIOYHMOIE-KDICNWRVSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126138
Clc1cccc(c1)n1nnc(c1)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318602639	316.785	LFLIWKJDQAKQDI-KDICNWRVSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126139
Oc1nc(Cl)cc(N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@H]23)n1	ZINC22_887268369,EMOLS-id_316965225,MCULE-4838352049	316.785	JQHUJOVVGLZAJD-JYAVWHMHSA-N	00100010000000110001010000000000000000000000000000000000	22-01-126140
O=C([C@@]12CCC[C@@H]1C2)Nc1nc(nn1C)c1ccccc1Cl	EMOLS-id_318706719	316.785	AYIALRVFFXJIGJ-QLJPJBMISA-N	00100010100010110001110000000000000000000000000000000000	22-01-126141
O=C(c1cnnn1c1ccccc1Cl)NC1CCCC2C1C2	EMOLS-id_318415029	316.785	HAZWCYWLNZFROS-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126142
O=C(c1cnnn1c1ccccc1Cl)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318418868	316.785	HAZWCYWLNZFROS-ILWADHIDSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126143
O=C(c1[nH]ncc1Cl)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319503042	316.785	PINOCJHRIVFHHO-IMRBUKKESA-N	00100010100000110001010000000000000000000000000000000000	22-01-126144
O=C(c1nnn(c1)c1ccccc1Cl)N1CC2C(C1)C2(C)C	EMOLS-id_111162242	316.785	VHHJUXDDPPWPGA-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-126145
O=C(c1nnn(c1)c1ccccc1Cl)NC1CCCC2C1C2	EMOLS-id_318009695	316.785	WHXLWMCPYVPPBF-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126146
O=C(c1nnn(c1)c1ccccc1Cl)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318593081	316.785	WHXLWMCPYVPPBF-ILWADHIDSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126147
O=C(c1nnn(c1C)c1ccccc1Cl)NC1CCC2C1C2	EMOLS-id_318625644	316.785	AOKVISYNURUAST-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-126148
O=C(N1CC2C(C1)C2)Nc1cnn(c1)Cc1ccc(cc1)Cl	EMOLS-id_318769929	316.785	IBWCGAALWFLDRM-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-126149
O=C(N1CC2C(C1)C2)NCc1c(Cl)cccc1n1ccnc1	EMOLS-id_318637789	316.785	DYCHEDHGLIGJSE-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-126150
O=C(Nc1cc(Cl)ccc1n1cncn1)CC1CCC2C1C2	EMOLS-id_318624882	316.785	XLJQACBBAPFVFU-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-126151
ClCCCN1C[C@@H]2[C@](C1)(C2)/C(=C/C=C(/C(F)(F)C)N=C)/C	PC-id_143091830	316.817	IQAJVEKNBAPGKD-IKMBBRHYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126152
CCOC(=O)C=CC1=C(CC2C1C2CCc1ccccc1)Cl	PC-id_86638801	316.822	JMVDXZXWUBPDNS-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-126153
CCOC(=O)/C=C/C1=C(Cl)C[C@H]2C1C2CCc1ccccc1	PC-id_144126358	316.822	JMVDXZXWUBPDNS-HMWRUOLVSA-N	00100011000000110000010000000000000000000000000000000000	22-01-126154
CCOC(=O)/C=C/C1=C(Cl)C[C@H]2[C@@H]1C2CCc1ccccc1	PC-id_59180079,SCHEMBL12777808	316.822	JMVDXZXWUBPDNS-NKJAGEGSSA-N	00100011000000110000010000000000000000000000000000000000	22-01-126155
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NCl)C(=O)OC)C	PC-id_88274101	316.824	RHNOTULDLWUWPB-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126156
ClN[C@@H](C(C)(C)C)C(=O)N1CC2C([C@H]1C(=O)OC)C2(C)C	SCHEMBL8281714	316.824	RHNOTULDLWUWPB-WFBLGPOFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126157
ClN[C@@H](C(C)(C)C)C(=O)N1C[C@H]2C([C@H]1C(=O)OC)C2(C)C	PC-id_117754954,SCHEMBL16313112	316.824	RHNOTULDLWUWPB-OFLUOSHYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126158
ClN[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)OC)C2(C)C	SCHEMBL8224089,PC-id_58807982	316.824	RHNOTULDLWUWPB-XWLWVQCSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126159
Clc1ccc(cc1)CC12CCC(C2(O1)Cn1cncc1)(C)C	SCHEMBL8781489,PC-id_19020744	316.825	IQQYQEUVTRLVLO-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-126160
Clc1ccc(cc1)c1nnc(n1C)CNC1CCCC2C1C2	EMOLS-id_318177661,MCULE-1211315839	316.828	UZSSRVZDYWZWCN-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126161
Clc1ccc(cc1)c1nnc(n1C)CNC1CCC[C@H]2[C@@H]1C2	MCULE-5232968408,EMOLS-id_318510032	316.828	UZSSRVZDYWZWCN-JEIKQXNFSA-N	00100000100010110001110000000000000000000000000000000000	22-01-126162
Clc1ccc(cc1)n1nnc(c1C)C(NC1CCC2C1C2)C	MCULE-1659819908,EMOLS-id_318741459	316.828	OLPNWKSJVOWBCJ-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-126163
Clc1cccc(c1)n1nnc(c1C)C(NC1CCC2C1C2)C	MCULE-6333081485,EMOLS-id_318406524	316.828	KHBGTTIAWYNMTO-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-126164
Clc1cnn(c1)c1nc(C)ccc1CNC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318584930	316.828	CEIHBDPOUORITL-AVPQSEQGSA-N	00100000100010101001110000000000000000000000000000000000	22-01-126165
Clc1cnn(c1)c1nc(C)ccc1CNC1CCC[C@@H]2[C@H]1C2	EMOLS-id_318733422,MCULE-5486313861	316.828	CEIHBDPOUORITL-PNMZXMJCSA-N	00100000100010101001110000000000000000000000000000000000	22-01-126166
CN(S(=O)(=O)C1C2C1CCCC2)Cc1cc(cn1C)Cl	EMOLS-id_319115461	316.847	UDBYPWKNDQPIOS-UHFFFAOYSA-N	00100000110010000000010000000000000000000000000000000000	22-01-126167
C1[C@@H]2C[C@@H]2N([C@@H]1CN)C(=O)C3=C(SC=N3)C4=CC=CC=C4F	PC-id_154124770	317.1	FOHRQHRDKRJYSB-NRUUGDAUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-126168
C1[C@@H]2C[C@@H]2N([C@@H]1CN)C(=O)C3=C(SC=N3)C4=CC=C(C=C4)F	PC-id_154141773	317.1	VVFBAQBWPPIUBC-WXHSDQCUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-126169
C1[C@H]2[C@@H]([C@H]2[C@@]([C@@H]1O)(C(=O)OCC3=CC=CC=C3)N=[N+]=[N-])C(=O)O	PC-id_152750832	317.101	GLOAJICKTPZBLO-ONQKKCPMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126170
CC(C)(C)OC(=O)N1CC2C(C1)C2/C(=NOC(=O)CCl)/N	PC-id_154031596,PC-id_135325051,SCHEMBL20495489	317.114	QXSBELXCBQGIEG-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126171
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2/C(=NOC(=O)CCl)/N	PC-id_154031838,PC-id_142421872	317.114	QXSBELXCBQGIEG-JWHQNHQBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126172
C1C2C1CC(C2)N=C1C(C(=O)NC=N1)I	PC-id_137215175	317.126	BQOCUSWIVUUUDN-UHFFFAOYSA-N	00100010000011000001010000000000000000000000000000000000	22-01-126173
C1C2C1CC(C2)Nc1c(c(=O)[nH]cn1)I	PC-id_137259050	317.126	VDKWTDPNTGSKQD-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-126174
C#CCNC(=O)CC1(CC1)C(=O)C1=C2C1[C@@H](C[C@@H](C2)O)C(=O)O	PC-id_163974155	317.126	SSPLAEZOGVJDTL-FCRFXOBJSA-N	00110000000010000000010000000000000000000000000000000000	22-01-126175
CCOC(=O)C1C2C1C(=O)CN(C2)C(=O)OCC3=CC=CC=C3	PC-id_153883711	317.126	LCNLKSFRPTWZAA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126176
Ic1cnc(nc1)NCC12COCC1C2	MCULE-1620299872	317.126	KAUPLCFDMZPOCB-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-126177
Ic1cncnc1NCC12COCC1C2	MCULE-7048092694	317.126	BDZZKPQTKJJVGT-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-126178
O=c1[nH]cnc(c1I)NC12CCCC1C2	MCULE-8805327703	317.126	KHUFDTQKZLERAE-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-126179
O=C(c1[nH]cc(c1)I)NC1C2C1CNC2	PC-id_121635141	317.126	XBLDSTQTDZJCNE-UHFFFAOYSA-N	00100010110000000000010000000000000000000000000000000000	22-01-126180
Brc1cc(F)c(C(=O)NC2C3C2CNC3)c(F)c1	PC-id_80133047	317.129	ZCAGJERCGCXOAI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126181
CC(C)C1CC1(CN[C@@H]1C2=C(C=C=C(C(=C12)C#N)F)F)C(=O)N	PC-id_163857380	317.134	OZLXWFFOWTUKJU-ZENMZRJKSA-N	00100000000000000110010000000000000000000000000000000000	22-01-126182
ClC1(Cl)C2(OP(=O)(OCC)OCC)C1CCCC2	PC-id_12032535	317.146	ZDIHPKZRYCKDNG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-126183
CC(=O)NC1[C@H]2C(C2(C(O[C@H]1OCCCCC=O)CO)O)O	PC-id_147192777	317.147	CBTMSHGYGZMHLQ-YVYAVLOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-126184
FC(F)(F)C1(N2N(N2C(F)(F)F)C(C1)(C)C)C(F)(F)F	PC-id_145284	317.155	IYRJFKPSRCNEOA-UHFFFAOYSA-N	00010010000000000001010000000000000000000000000000000000	22-01-126185
CC(C)(C)OC(=O)N1C[C@@H]2CC2C1C(=O)OCc1ccccc1	PC-id_163747273	317.163	LMXZSDBIHGGBPL-NFOMZHRRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126186
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)OCC3=CC=CC=C3	PC-id_153277643	317.163	LMXZSDBIHGGBPL-KKUMJFAQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126187
Brc1c(F)cc(C(O)C2C3C2CCCC3)c(F)c1	PC-id_81643666	317.169	LNRMNYUMFDVDEA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126188
BrC(C1C2C1CCC2)c1c(F)cc(OC)cc1F	PC-id_81638437	317.169	FUTVABUKMZXRKI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126189
BrC(C1CC2C(C2)C1)c1c(F)cc(OC)cc1F	PC-id_80470873	317.169	UDMIRBLZNSBRJK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126190
Fc1ccc(c(c1C(C1C2C1CCCC2)O)F)Br	PC-id_106945190	317.169	BETGQDZWFMCRSC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126191
OC(C1C2C1CCC2)Cc1c(F)ccc(c1F)Br	PC-id_106274385	317.169	KDHUMOXBIMVOQU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126192
OCC1(CC2C(C1)C2)Cc1c(F)ccc(c1F)Br	PC-id_106273733	317.169	CLFSHWSGJYVXHS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126193
OC(C1CC2C(C1)C2)Cc1c(F)ccc(c1F)Br	PC-id_114167037	317.169	IOXRTCMVTGKIJT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126194
NNC(c1c(F)ccc(c1F)Br)C1C2C1CCC2	PC-id_106945591	317.172	LVOBPXVZGDLRIJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126195
NNC(c1c(F)ccc(c1F)Br)C1CC2C(C1)C2	PC-id_106945523	317.172	ITKXYCKJSLWSSK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126196
O=C1CC[C@]2([C@@]1(C2)S(=O)(=O)S(=O)(=O)C)Br	PC-id_101235620	317.177	KANUBTOILAWBTQ-BQBZGAKWSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126197
C1CCC(C1)CN2CC3C(C2)C3C[N-]CC4=CC(=CC=C4)Cl	PC-id_162036397	317.179	YWRYUEUVSTVZKM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126198
C1C(C(=O)C2C(N2)C(C1=O)CCCC[NH3+])Cc1ccc(cc1)O	PC-id_163977738	317.186	SVQSAOMZHAKLKW-UHFFFAOYSA-O	00100000000000110100010000000000000000000000000000000000	22-01-126199
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1C[N-]Cc1ccc(cc1)O	PC-id_163810303	317.187	NMQWUUSVIJMYQA-NUEKZKHPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126200
CC[C@H](C1[C@H]2[C@H]1CC(C2)C(CO)CO)C3=CC=CC=C3C(=O)N	PC-id_153289089	317.199	TVYWGNKTDFKYCB-KDXLTZCLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126201
Brc1ccc(nc1)S(=O)(=O)NC1CC2C(C1)C2	EMOLS-id_102230826	317.202	PIWLCWWLZAOZLZ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-126202
Brc1ccc(S(=O)(=O)N2CC3C(C3N)C2)cc1	PC-id_69122349,SCHEMBL4635774	317.202	ZJDXEZMERRAEBW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126203
Brc1ccc(S(=O)(=O)NC2C3C2CNC3)cc1	PC-id_43597304	317.202	FXDBHXWMDOJXOZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126204
Brc1cc(S(=O)(=O)NC2C3C2CNC3)ccc1	PC-id_43597318	317.202	CDJMKCDOQYEXDZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126205
Brc1cncc(c1)S(=O)(=O)NC1CC2C(C1)C2	EMOLS-id_102174260	317.202	QOWRDMXYEIAFQR-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-126206
Brc1c(S(=O)(=O)NC2C3C2CNC3)cccc1	PC-id_43597311	317.202	RCZOCXDEYFSLQA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126207
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OC(c1ccc(cc1)F)CN(C(=O)C1C2C1CCCC2)C1CC1	PC-id_112362077	317.398	GFVMRRXHHJFSBD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126478
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O=C([C@@H]1[C@H]2CCCC[C@@H]12)N1CCC(Oc2ccc(F)cc2)CC1	ZINC22_245461007,CoCoCo_452639	317.398	MRKYFDAAAOKBTB-PIIMJCKOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126486
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N1CC[C@H](CC1)Oc1ccc(cc1)F	CoCoCo_452640	317.398	MRKYFDAAAOKBTB-BCDXTJNWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126487
OC[C@@H]1[C@@H]2[C@H]1CN(C2)S(=O)(=O)C1CCC(CC1)C(=O)OC	EMOLS-id_316577749	317.401	YRYUNGDLKVXUCX-NGEZQELSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-126488
OCC[S+](CC(=O)c1ccc(c2c1S2(=O)=O)C)CCO	PC-id_139752779	317.401	RJYZAMUYYBXNJO-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-126489
COC1CCN(CC1)S(=O)(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319025677	317.404	CMJHWGUXSSUWTA-MFKMUULPSA-N	00100000000010000000010000000000000000000000000000000000	22-01-126490
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S(=O)(=O)(NC1C2C1CNC2)N1CC(CCC1)C(=O)OCC	PC-id_43597412	317.404	DOKRNLYCQYVOMG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-126492
CC1(C)C2C1CN(C2)S(=O)(=O)c1cnn(c1)c1ccccc1	EMOLS-id_111183325	317.406	VNBMTLVMGZTLIL-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-126493
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C1C(CC2C1C2)CN(CCCC(=O)O)CCOc1ccccc1	PC-id_136573235,EMOLS-id_317056535,MCULE-4194553242	317.423	RJXPSMWLGFTFJL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126500
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CC(C)(C)OC(=O)N1CCC[C@@H]2[C@]1(C2)COCc1ccccc1	PC-id_134841916	317.423	WMSSSYHPCJYXQX-LPHOPBHVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126502
CC(Oc1cccc(c1)C(CNC(=O)C1C2C1CCCC2)O)C	PC-id_111860643	317.423	OORRJCDNNDUKCD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126503
CCOc1cc(C)c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1C(C)C	ZINC22_217869163,MCULE-8542781402,EMOLS-id_49897881	317.423	CEKPMXZGQFLDFZ-VQFNDLOPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126504
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O(CC12C(C1)CN(CC2)C(=O)OC(C)(C)C)Cc1ccccc1	SCHEMBL14719718,PC-id_71270575	317.423	RECNDEUZWWURKZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126506
OC[C@]12C[C@H]1CCCN2C(=O)CCOc1cc(C)cc(c1C)C	EMOLS-id_319738456	317.423	KFQOUUOAHLIOBN-VQIMIIECSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126507
OC[C@]12C[C@H]1CCCN2C(=O)COc1ccccc1C(C)(C)C	EMOLS-id_318828390	317.423	UDCXECUSPHNZDM-AUUYWEPGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126508
O(CC1C2C1CNC2)C(=O)C(O)(C(CC)CC)c1ccccc1	PC-id_73001979	317.423	BMHUKKBGMSNEJS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126509
OC(c1ccccc1)CCC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_70142442,SCHEMBL7603878	317.423	UTLXNZXYTYVAEJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126510
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OC(c1ccco1)CC1CCCCCN1C(=O)C1C2C1CCC2	PC-id_112414856	317.423	LKNRZPRECWEXSZ-UHFFFAOYSA-N	00100010101010000100010000000000000000000000000000000000	22-01-126512
O(CC1[C@H]2[C@@H]1CNC2)C(=O)C(O)(C(CC)CC)c1ccccc1	PC-id_11545352	317.423	BMHUKKBGMSNEJS-GIOYIUAESA-N	00100010000000110000010000000000000000000000000000000000	22-01-126513
O(CC1[C@H]2[C@@H]1CNC2)C(=O)[C@](O)(C(CC)CC)c1ccccc1	PC-id_11771505	317.423	BMHUKKBGMSNEJS-RZRMAFQFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126514
OCC1(CO)[C@H]2CN(Cc3ccccc3OC3CCCC3)C[C@@H]12	ZINC22_1772813201	317.423	VGATZIYXNNDSGB-CALCHBBNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126515
OCC1(CO)[C@@H]2CN(Cc3ccccc3OC3CCCC3)C[C@@H]12	ZINC22_1772813202	317.423	VGATZIYXNNDSGB-IAGOWNOFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126516
OCC1(CO)[C@H]2CN(Cc3ccccc3OC3CCCC3)C[C@H]12	ZINC22_1772813203	317.423	VGATZIYXNNDSGB-IRXDYDNUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126517
OC(CN(C(=O)C1C2C1CCCC2)C)COCc1ccccc1	PC-id_111595984	317.423	GLGDELUERYSSRK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126518
OC(=O)C1[C@H]2[C@@H]1CN(C2)Cc1c(cc(OCC)c(c1)C(C)C)C	PC-id_77096666	317.423	CEKPMXZGQFLDFZ-BYICEURKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126519
O=C(O)CCCN(CCOc1ccccc1)CC1C[C@@H]2C[C@H]2C1	ZINC22_1615553249	317.423	RJXPSMWLGFTFJL-IAGOWNOFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126520
O=C(O)CCCN(CCOc1ccccc1)CC1C[C@H]2C[C@@H]2C1	ZINC22_1615553251	317.423	RJXPSMWLGFTFJL-IRXDYDNUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126521
O=C(O)CCCN(CCOc1ccccc1)C[C@H]1C[C@@H]2C[C@@H]2C1	ZINC22_1615553247	317.423	RJXPSMWLGFTFJL-BJWYYQGGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126522
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Cc1cc(C2CCN(C(=O)NC[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)on1	ZINC22_2325818235	317.426	SGMCJDIQGNZPAL-BMFZPTHFSA-N	00100000100010000001110000000000000000000000000000000000	22-01-126524
Cc1cc(C2CCN(C(=O)NC[C@@H]3CC[C@@H]4C[C@H]4C3)CC2)on1	ZINC22_2325818236	317.426	SGMCJDIQGNZPAL-FVQBIDKESA-N	00100000100010000001110000000000000000000000000000000000	22-01-126525
Cc1cc(C2CCN(C(=O)NC[C@@H]3CC[C@H]4C[C@@H]4C3)CC2)on1	ZINC22_2325818237	317.426	SGMCJDIQGNZPAL-KBMXLJTQSA-N	00100000100010000001110000000000000000000000000000000000	22-01-126526
Cc1cc(C2CCN(C(=O)NC[C@@H]3CC[C@H]4C[C@H]4C3)CC2)on1	ZINC22_2325818238	317.426	SGMCJDIQGNZPAL-VNQPRFMTSA-N	00100000100010000001110000000000000000000000000000000000	22-01-126527
Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[C@H]3C2)N2CCCC2)o1	ZINC22_660531655	317.426	YBZGMNRDQRZHCS-JYJNAYRXSA-N	00100010101010000000010000000000000000000000000000000000	22-01-126528
Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[C@@H]3C2)N2CCCC2)o1	ZINC22_660531656	317.426	YBZGMNRDQRZHCS-OAGGEKHMSA-N	00100010101010000000010000000000000000000000000000000000	22-01-126529
Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[C@H]3C2)N2CCCC2)o1	ZINC22_660531657	317.426	YBZGMNRDQRZHCS-PMPSAXMXSA-N	00100010101010000000010000000000000000000000000000000000	22-01-126530
Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[C@@H]3C2)N2CCCC2)o1	ZINC22_660531658	317.426	YBZGMNRDQRZHCS-XHSDSOJGSA-N	00100010101010000000010000000000000000000000000000000000	22-01-126531
Cc1cc(CN2CCC(N(C)C(=O)C3[C@@H]4CCC[C@@H]34)CC2)on1	PC-id_98216080,ZINC22_101478092	317.426	AWJSBQZPMYBYKU-HZPDHXFCSA-N	00100010100010000001010000000000000000000000000000000000	22-01-126532
Cc1cc(CN2CCC(N(C)C(=O)C3[C@H]4CCC[C@H]34)CC2)on1	ZINC22_101478089,PC-id_98216079	317.426	AWJSBQZPMYBYKU-HOTGVXAUSA-N	00100010100010000001010000000000000000000000000000000000	22-01-126533
Cc1cc(CN2CCC(N(C)C(=O)[C@@H]3[C@H]4CCC[C@@H]34)CC2)on1	ZINC22_253369310	317.426	AWJSBQZPMYBYKU-FVQHAEBGSA-N	00100010100010000001010000000000000000000000000000000000	22-01-126534
Cc1nc(CC2CCN(C(=O)[C@@H]3CC[C@H]4C[C@H]4CC3)CC2)no1	ZINC22_830097849	317.426	UJCMLWXPLOQRMI-MUJYYYPQSA-N	00100000100010000101010000000000000000000000000000000000	22-01-126535
Cc1nc(CC2CCN(C(=O)[C@H]3CC[C@H]4C[C@H]4CC3)CC2)no1	ZINC22_830097850	317.426	UJCMLWXPLOQRMI-PHZGNYQRSA-N	00100000100010000101010000000000000000000000000000000000	22-01-126536
Cc1nc(CN2CCCN(C(=O)[C@@]34CCC[C@@H]3C4)CC2)oc1C	ZINC22_643334181	317.426	MAOISXWSIPVUEK-CRAIPNDOSA-N	00100010100010000101010000000000000000000000000000000000	22-01-126537
Cc1nc(CN2CCCN(C(=O)[C@@]34CCC[C@H]3C4)CC2)oc1C	ZINC22_643334182	317.426	MAOISXWSIPVUEK-MAUKXSAKSA-N	00100010100010000101010000000000000000000000000000000000	22-01-126538
Cc1nc(CN2CCCN(C(=O)[C@]34CCC[C@@H]3C4)CC2)oc1C	ZINC22_643334183	317.426	MAOISXWSIPVUEK-QAPCUYQASA-N	00100010100010000101010000000000000000000000000000000000	22-01-126539
Cc1nc(CN2CCCN(C(=O)[C@]34CCC[C@H]3C4)CC2)oc1C	ZINC22_643334184	317.426	MAOISXWSIPVUEK-YJBOKZPZSA-N	00100010100010000101010000000000000000000000000000000000	22-01-126540
Cc1nc(no1)CC1CCN(CC1)C(=O)C1CC[C@@H]2C[C@@H]2CC1	EMOLS-id_316970427,PC-id_136586778	317.426	UJCMLWXPLOQRMI-MQVJKMGUSA-N	00100000100010000101010000000000000000000000000000000000	22-01-126541
Cc1[nH]c(nc1C)C1CCCN(C1)C(=O)C12CC1COC2(C)C	EMOLS-id_319725471	317.426	RYVZOCLJKJKTNK-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-126542
Cc1noc(c1)CN1CCC(CC1)N(C)C(=O)C1C2C1CCC2	PC-id_86778410,MCULE-9661639681,EMOLS-id_49911021	317.426	AWJSBQZPMYBYKU-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-126543
Cc1oc(nc1C)CN1CCCN(CC1)C(=O)C12CCCC1C2	MCULE-6969597383,EMOLS-id_320402512,PC-id_139013816	317.426	MAOISXWSIPVUEK-UHFFFAOYSA-N	00100010100010000101010000000000000000000000000000000000	22-01-126544
CC(C)c1nc(C2(NC(=O)C3[C@H]4CCCC[C@H]34)CCCC2)no1	ZINC22_175808886	317.426	VCGQQXRQWKNGJQ-STQMWFEESA-N	00100010100010000001110000000000000000000000000000000000	22-01-126545
CC(C)c1nc(C2(NC(=O)C3[C@@H]4CCCC[C@@H]34)CCCC2)no1	ZINC22_175808932	317.426	VCGQQXRQWKNGJQ-CHWSQXEVSA-N	00100010100010000001110000000000000000000000000000000000	22-01-126546
CC(C)c1nc(C2(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)CCCC2)no1	ZINC22_246263906	317.426	VCGQQXRQWKNGJQ-WDNDVIMCSA-N	00100010100010000001110000000000000000000000000000000000	22-01-126547
CC(C)c1nc(no1)C1(CCCC1)NC(=O)C1C2C1CCCC2	MCULE-5638406880,EMOLS-id_111514609,PC-id_136513052	317.426	VCGQQXRQWKNGJQ-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-126548
CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)C2[C@@H]3CCCC[C@@H]23)cn1	ZINC22_330333753	317.426	QBYRDXFPGOJMEA-PNBKFKSVSA-N	00100000100010000001110000000000000000000000000000000000	22-01-126549
CCn1cc([C@H]2OCCC[C@@H]2NC(=O)C2[C@H]3CCCC[C@H]23)cn1	ZINC22_333009361	317.426	QBYRDXFPGOJMEA-QBYUYEEZSA-N	00100000100010000001110000000000000000000000000000000000	22-01-126550
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CCn1ncc(c1)[C@H]1OCCC[C@@H]1NC(=O)C1C2C1CCCC2	EMOLS-id_100830978,MCULE-3393114896	317.426	QBYRDXFPGOJMEA-JPWMHDLISA-N	00100000100010000001110000000000000000000000000000000000	22-01-126552
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COC1(CCN(CC1)C(=O)C1CCC2C(C1)C2)c1nccn1C	EMOLS-id_319163285	317.426	SZPGGHUIXGOMAH-UHFFFAOYSA-N	00100000100010000001110000000000000000000000000000000000	22-01-126554
COC1(CCN(CC1)C(=O)CC1CCC2C1C2)c1nccn1C	EMOLS-id_319117492	317.426	HPTMAPVIPPSDMT-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-126555
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OC[C@]12C[C@H]1CCCN2C(=O)Cc1c(C)nn(c1C)CC1CC1	EMOLS-id_319468754	317.426	VCLIKYRRRNFPBT-CRAIPNDOSA-N	00100000100010000001010000000000000000000000000000000000	22-01-126558
O=C(C1C2C1CCCC2)N1CCCC(C1)C(c1nccn1C)O	PC-id_112359404	317.426	LWYLFZFDEFMIPW-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-126559
O=C(C1C2C1CCCC2)N1CCC(CC1)(O)Cn1ccnc1C	PC-id_110245457	317.426	CYFMUOOLQZUHHO-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-126560
O=C(C1CC[C@@H]2[C@H](CC1)C2)N1CCC(CC1)(O)c1ccnn1C	EMOLS-id_319585946	317.426	JETKMYKYTDXPGP-GOOCMWNKSA-N	00100000100010000101110000000000000000000000000000000000	22-01-126561
O=C(C1CC[C@@H]2[C@H](CC1)C2)Nc1cn(nc1C)C1CCOCC1	EMOLS-id_319449655	317.426	KOSSRIOUBZHNEA-GOOCMWNKSA-N	00100000100010000101110000000000000000000000000000000000	22-01-126562
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OCCn1nccc1C1CCN(CC1)C(=O)C1C2C1CCCC2	PC-id_109908969	317.426	WNBAZPGYZPSFON-UHFFFAOYSA-N	00100000100010000001110000000000000000000000000000000000	22-01-126564
O=C(N1CCC(CC1)(O)c1nccn1C)C1CC[C@@H]2[C@H](CC1)C2	EMOLS-id_319157405	317.426	PKEOPVTWNPIOBP-GOOCMWNKSA-N	00100000100010000101110000000000000000000000000000000000	22-01-126565
CN1CC2C(C1)C2(C#N)N(Cc1ccccc1)Cc1ccccc1	PC-id_18362028,SCHEMBL7870388	317.427	ADXHUDCMGYRFES-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-126566
O=C(N1CC2C(C1)C2(C)C)NC1CCN(CC1)c1[nH]nc(c1)C	EMOLS-id_101133960	317.429	RMRNNHHTZRRIKS-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-126567
O=C(N1CCC(CC1)n1nc(nc1N)C)C1CC[C@@H]2[C@H](CC1)C2	EMOLS-id_319650723	317.429	ACBXLEVJRALNEX-AGUYFDCRSA-N	00100000100010000101110000000000000000000000000000000000	22-01-126568
O=C(N(C(CCc1ncccc1C)(C)C)N)[C@H]1[C@H]2[C@]1(N)CNC2	SCHEMBL19724663	317.429	CYEBCIVFXWXNLT-DXCKQFNASA-N	00100010000000101000010000000000000000000000000000000000	22-01-126569
CC=C(NC1CC2C(C1)C2(F)F)SC(C)(C(C)C)C(=O)C	PC-id_89221894,SCHEMBL13998696	317.438	HRZHMLKKQHDLMW-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-126570
CC/C=CC[CH+][C@@H]1C[C@H]2[C@@H]([C@H]1/C=CC/C=CCCCC(=O)O)O2	PC-id_135015056	317.442	AXKXYBLWJZTOTI-OPEMDEEHSA-O	00100010000000000000010000000000000000000000000000000000	22-01-126571
CC[C@H]1C[C@H]1[CH+][C@@H]1C[C@H]2[C@@H]([C@H]1/C=CC/C=CCCCC(=O)O)O2	PC-id_137278065	317.442	HFSJRRYARMLNKE-DBLYVQORSA-O	00100010000000000000010000000000000000000000000000000000	22-01-126572
CC1CCC2C(C1C(=O)NCC(C)CS(=O)(=O)O)C2(C)C	PC-id_87633847,SCHEMBL4202862	317.444	RZPZSRTWOSWBLW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-126573
CC1CCC2C(C1)(C(=O)NC(CS(=O)(=O)O)(C)C)C2(C)C	SCHEMBL18815166	317.444	RWLXVFVCGDJXRQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-126574
COCCOC1CCCN(C1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_319916586,MCULE-2955375138	317.444	AGLAVYNNWUBXAN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-126575
OC[C@]12C[C@H]1CCCN2S(=O)(=O)CC1CCCC(O1)(C)C	EMOLS-id_319771710	317.444	UILRRLDRVUKJDI-ILWWEHDPSA-N	00100000000010000000010000000000000000000000000000000000	22-01-126576
CCN(CCCNC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C)S(=O)(=O)C	ZINC22_175765127	317.447	FYSRXEJOIQVJDV-VXGBXAGGSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126577
CCN(CCCNC(=O)N1C[C@H]2[C@@H](C1)C2(C)C)S(=O)(=O)C	ZINC22_175765149	317.447	FYSRXEJOIQVJDV-TXEJJXNPSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126578
CCN(CCCNC(=O)N1C[C@H]2[C@H](C1)C2(C)C)S(=O)(=O)C	ZINC22_247385450	317.447	FYSRXEJOIQVJDV-RYUDHWBXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126579
CCN(S(=O)(=O)C)CCCNC(=O)N1CC2C(C1)C2(C)C	PC-id_122143281,MCULE-9516763779,EMOLS-id_172314229	317.447	FYSRXEJOIQVJDV-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126580
CN1CCCCCCCCC[C@H]2[C@](C(=O)NS1(=O)=O)(N)C2	PC-id_59441006,SCHEMBL13223020	317.447	LYZOLJOWURCARB-TZMCWYRMSA-N	00100000000000000101010000000000000000000000000000000000	22-01-126581
S1(=O)(=O)NC(=O)C2(N)C(C2)CCCCCCCCCN1C	PC-id_72300091	317.447	LYZOLJOWURCARB-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-126582
S(=O)(=O)(N1CC2C(C2CN(C)C)C1)N1CC(OC(C1)C)C	PC-id_76424753	317.447	HQLBKLDUMZQKHD-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-126583
S(=O)(=O)(N1C[C@H]2[C@H](C2CN(C)C)C1)N1CC(OC(C1)C)C	PC-id_56889836	317.447	HQLBKLDUMZQKHD-ZRRUAHMRSA-N	00100010000010000001010000000000000000000000000000000000	22-01-126584
CC1CC2CC2CC(C1)(C)NCc1nnc(o1)c1cccs1	PC-id_89627156,SCHEMBL15029141	317.449	HOVFFGNWHKJKGX-UHFFFAOYSA-N	00100000100100000101110000000000000000000000000000000000	22-01-126585
Cc1oc(c2cccs2)nc1CN1C[C@H]2[C@H](CN(C)C)[C@H]2C1	MCULE-6935027057,EMOLS-id_43109911,ZINC22_102374842	317.449	SGKSSSWOTMKDFU-ZSOGYDGISA-N	00100010100100000001110000000000000000000000000000000000	22-01-126586
CSN1CCC(=CC1)c1ccc(cn1)OCC1C2C1CNC2	PC-id_144354794	317.449	VBXHZEVTVPBNOJ-UHFFFAOYSA-N	00100010000011101000110000000000000000000000000000000000	22-01-126587
O=C([C@@H]1[C@@H]2[C@H]1CNC2)Nc1ccccc1CN1CCSCC1	EMOLS-id_319045425	317.449	FBJZSWWEAPMXHY-FOLVSLTJSA-N	00100010000010110001010000000000000000000000000000000000	22-01-126588
s1c(c2oc(c(n2)CN2CC3C(C3CN(C)C)C2)C)ccc1	PC-id_76426023	317.449	SGKSSSWOTMKDFU-UHFFFAOYSA-N	00100010100100000001110000000000000000000000000000000000	22-01-126589
s1c(c2oc(c(n2)CN2C[C@H]3[C@H](C3CN(C)C)C2)C)ccc1	PC-id_56894929	317.449	SGKSSSWOTMKDFU-AGUYFDCRSA-N	00100010100100000001110000000000000000000000000000000000	22-01-126590
O=C([C@@]12CC=C[C@@H](N1C2)O[Si](C)(C)C)OCc1ccccc1	PC-id_101187608	317.455	TWRCZOJYBNQHMX-LUIZSJORSA-N	00100000000011110000010000000000000000000000000000000000	22-01-126591
CC1C=C(OC(O1)/C=C/1C2C1NC(C(C2=C)C(C)C(C)C)C)C	PC-id_134603727	317.466	WMKDLARZIJKUHL-CXUHLZMHSA-N	00100000000011000001010000000000000000000000000000000000	22-01-126592
CC(C(C1C(C)NC2C(C1=C)C2=CC1OC(C)C=C(O1)C)C)C	SCHEMBL20258182	317.466	WMKDLARZIJKUHL-UHFFFAOYSA-N	00100000000011000001010000000000000000000000000000000000	22-01-126593
CCCCN(CC1=CC2OC2CC1C)CC1=CC2OC2CC1C	PC-id_139958553	317.466	NLEORVRGQPRDTM-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-126594
O(C1C2N(C2CCC1)CCCCCC)Cc1cc(OC)ccc1	PC-id_74344461	317.466	WZEBQDLQGUYCRM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126595
O([C@H]1[C@@H]2N([C@@H]2CCC1)CCCCCC)Cc1cc(OC)ccc1	PC-id_24884667	317.466	WZEBQDLQGUYCRM-YJUWBKPTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126596
C1CSSC1CCCCC(=O)N[C@@H]1C2C[C@@H]2OC1CO	PC-id_134172009	317.467	WBXNHCFMWSEYDH-UUTIVGTCSA-N	00100010000000000001010000000000000000000000000000000000	22-01-126597
C=CC=CC1(C=Cc2ccccc2)C(C)CCC2C1(C#N)C2(C)C	SCHEMBL8836805,PC-id_53724239	317.467	CJIJFOHGMIQGDZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126598
OC[C@H]1O[C@@H]2C([C@H]1NC(=O)CCCCC1SSCC1)C2	SCHEMBL19773333	317.467	WBXNHCFMWSEYDH-RLCQYFOASA-N	00100010000000000001010000000000000000000000000000000000	22-01-126599
CN(C(C)C)CCCOCC1C2C1CN(C2)Cc1ccccn1	SCHEMBL5796230,PC-id_11558749	317.469	XPTAAFDAQBANGN-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-126600
NC(=C)NC(C1(C)CCCCC1)C(=O)N1C[C@H]2[C@@H](C1C(=C)C)C2	PC-id_143104978	317.469	KIJMKYYMHYNCCL-JUVOFCAFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-126601
s1c(CN(C(=O)C2CC3C(C3)C2)Cc2sccc2)ccc1	PC-id_80469756	317.469	GLHJTHWXZGGWLH-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-126602
COCCNCC1(CCS(=O)(=O)C(C)(C)C)CC2C(C1)C2	PC-id_106730283	317.487	FZYLBZFVIURXOL-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-126603
O(C12C(C1CCC(C2)C)(C)C)C(N)CCCC[n+]1ccccc1	PC-id_22326401	317.489	FZYAGUGJRRRAOO-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-126604
O(NCCCCC[n+]1ccccc1)C12C(C1CCC(C2)C)(C)C	PC-id_54135978	317.489	NXSMADUWCXCHSB-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-126605
CC1CCC2C(C2(C1)N(C=O)C12CC(CCC1C2(C)C)C)(C)C	PC-id_90425836,SCHEMBL16058764	317.509	NZFZNGZBQARFKF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-126606
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ClC(Cl)(Cl)C1OC(=O)C2(OC(=O)OC)C(C12)(C)C	PC-id_70528194,SCHEMBL11161546	317.55	GUNQTRNDIGYJCY-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-126608
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O=C(c1ccc(c(c1F)Cl)Br)C1C2C1CCC2	PC-id_106764287	317.581	JZMXQMGGTISXSQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126611
O=C(c1ccc(c(c1F)Cl)Br)C1CC2C(C1)C2	PC-id_106764161	317.581	WJNKZJWSXVXCPP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126612
O=C(c1cc(Cl)c(cc1F)Br)C1C2C1CCC2	PC-id_105398395	317.581	KPRVYCFWFAJXKV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126613
O=C(c1cc(Cl)c(cc1F)Br)C1CC2C(C1)C2	PC-id_105398284	317.581	ZTBTZELNXGBLQZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126614
[Si](O[Si](O[Si])(C)C)(OC)(CCC1CC2OC2CC1)C	PC-id_59172594	317.581	PARRXQYSOSUOQM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-126615
Brc1c(CC2(CC3C(C3)C2)CCl)cccc1F	PC-id_81514253	317.624	ZQUCXMJREIOFFO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126616
Brc1c(CC2(CC3C(C3)C2)CCl)ccc(F)c1	PC-id_80472784	317.624	SEXARUJGQSXYSJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126617
Brc1c(CC2(CC3C(C3)C2)CCl)cc(F)cc1	PC-id_80473314	317.624	WCMRRVFHVHCOAI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126618
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Brc1cc(CC2(CC3C(C3)C2)CCl)cc(F)c1	PC-id_80472940	317.624	CAFDYJUQAAEEJB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126620
Brc1cc(CC2(CC3C(C3)C2)CCl)c(F)cc1	PC-id_80473355	317.624	UTGSWZRGDGASKT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126621
Brc1cc(C(Cl)C2C3C2CCCC3)ccc1F	PC-id_81637823	317.624	BDBQWMWAONGDJM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-126622
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BrC(C1C2C1CCC2)c1cc(c(F)cc1Cl)C	PC-id_81637675	317.624	ICXTYNQCUMTOBP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126624
BrC(C1C2C1CCC2)Cc1c(Cl)cccc1F	PC-id_81637366	317.624	KPQHAJZAXNGMCH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126625
BrCC1(CC2C(C1)C2)Cc1ccc(c(c1)Cl)F	PC-id_103042100	317.624	GXJJAJXMBOAQKH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126626
BrCC1(CC2C(C1)C2)Cc1cccc(c1Cl)F	PC-id_112654934	317.624	VFSVOIPIMILRFA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126627
BrCC1(CC2C(C1)C2)Cc1cccc(c1F)Cl	PC-id_102863853	317.624	QAQCHVUPGZQWIV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126628
BrCC1(CC2C(C1)C2)Cc1ccc(c(c1)F)Cl	PC-id_107893297	317.624	BWBPEWCJYWEITM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126629
BrCC1(CC2C(C1)C2)Cc1ccc(cc1F)Cl	PC-id_114862086	317.624	JBVIZOBLFKUFHV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126630
BrCC1(CC2C(C1)C2)Cc1cc(Cl)ccc1F	PC-id_103051394	317.624	GZGOLNDHQUOLTF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126631
BrCC1(CC2C(C1)C2)Cc1cc(F)ccc1Cl	PC-id_102621445	317.624	ORAGNWALPAJZLK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126632
BrC(C1CC2C(C2)C1)c1cc(c(F)cc1Cl)C	PC-id_81051146	317.624	KIWRRYKSPQBMTA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126633
BrC(C1CC2C(C2)C1)Cc1c(Cl)cccc1F	PC-id_80472128	317.624	MBRTUFFJQAIBHV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126634
BrCC1(CC2C(C2)C1)Cc1c(Cl)cccc1F	PC-id_80473317	317.624	ONZKGISJWPBQFT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126635
BrCC1(CC2C(C2)C1)Cc1c(Cl)cc(F)cc1	PC-id_80473298	317.624	YJTPFLYMKORISL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-126636
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BrCC1(CC2C(C1)C2)Cc1c(C)nn(c1Cl)C	PC-id_116072968	317.652	NXRVNCYXTFIDCQ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-126638
BrCC1(CC2C(C2)C1)Cc1n(nc(c1Cl)C)C	PC-id_80473297	317.652	CSRRDQNGEMOYLC-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-126639
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COC(=O)OC1(CC2C(C1)O2)N(c1ccc(s1)Cl)C=O	PC-id_87407499,SCHEMBL2568530	317.745	SXSJYSYJQRTDDB-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-126641
COC(=O)OC1(CC2C(C1)O2)NC(=O)c1ccc(s1)Cl	PC-id_87407323,SCHEMBL2566849	317.745	JJFGNWIRDNNDSH-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-126642
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C1C2C1CN(C2)C(C=O)c1nc(cs1)c1ccc(cc1)Cl	SCHEMBL15689090,PC-id_90134701	318.821	FMTKDPUBGBTWMU-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-127185
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CC[C@]12C[C@H]1CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)C2	ZINC22_1772806697	318.841	IWCJOTDVERQUSZ-KBXCAEBGSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127190
CC[C@@]12C[C@@H]1CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)C2	ZINC22_1772806698	318.841	IWCJOTDVERQUSZ-KDOFPFPSSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127191
CC[C@@]12C[C@H]1CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)C2	ZINC22_1772806699	318.841	IWCJOTDVERQUSZ-KSSFIOAISA-N	00100010000000110000110000000000000000000000000000000000	22-01-127192
CC[C@]12C[C@@H]1CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)C2	ZINC22_1772806700	318.841	IWCJOTDVERQUSZ-RDTXWAMCSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127193
Clc1cccc(c1)C1CNCCN1C(=O)C1C2C1CCCC2	PC-id_120803541	318.841	RMEVTHSAEYHWDQ-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-127194
Clc1cccc(c1)N1CCN(CC1)C(=O)C1C2C1CCCC2	EMOLS-id_42916826,MCULE-9846708718,PC-id_72113356	318.841	JRLONIXWGQGIJL-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-127195
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C1CC2C(O2)C(C1CC3(CCC4C(C3Cl)O4)C(=O)[O-])Cl	PC-id_152529096	319.051	YJDRQOIZAHRMCH-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-127213
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Brc1ccc(s1)C(C12CCCC1C2)Br	MCULE-3273206975	336.086	BFHHIFJNIPXHNQ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-135951
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CCC(=C(C)C)C12CC1CN(C2)S(=O)(=O)c1ccc(cc1)C	PC-id_101706477	319.462	JNESVYGLPBNDRB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127512
CCCCCC[C@]12CCS(=O)(=O)N1[C@@H]2/C=C/c1ccccc1	PC-id_101508683	319.462	DISIARUGHNAHPZ-QOXTYCRISA-N	00100010000000110001010000000000000000000000000000000000	22-01-127513
C1(C(=O)N2CCN(CC2)Cc2csc(C)n2)C2C1CCCC2	MCULE-4683754272,EMOLS-id_24888944,SYN-20113071,PC-id_46972591	319.465	LXUWNUQTLTYHKS-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-127514
Cc1nc(CN2CCN(C(=O)C3[C@H]4CCCC[C@H]34)CC2)cs1	ZINC22_100773439,PC-id_98138336	319.465	LXUWNUQTLTYHKS-GJZGRUSLSA-N	00100000100010000001010000000000000000000000000000000000	22-01-127515
Cc1nc(CN2CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)cs1	ZINC22_100773441,PC-id_98138337	319.465	LXUWNUQTLTYHKS-HUUCEWRRSA-N	00100000100010000001010000000000000000000000000000000000	22-01-127516
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Cc1nc(CN2CCN(C(=O)[C@@H]3[C@H]4CCCC[C@@H]34)CC2)cs1	ZINC22_247955813,CoCoCo_498560	319.465	LXUWNUQTLTYHKS-ZSHCYNCHSA-N	00100000100010000001010000000000000000000000000000000000	22-01-127518
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CCc1csc(n1)CC1CCN(CC1)C(=O)[C@@H]1C[C@@H]2[C@H](N1)C2	MCULE-2565915432,EMOLS-id_318047666	319.465	OOWQFIITQKLWGH-YUELXQCFSA-N	00100010100010000001010000000000000000000000000000000000	22-01-127520
CN1CCN(CC1)Cc1ccc(s1)C(=O)N1CCC2C(C1)C2	MCULE-8758899899,EMOLS-id_320036094	319.465	ICCREEYGVSMIST-UHFFFAOYSA-N	00100000100110000001010000000000000000000000000000000000	22-01-127521
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CSc1nc(nc(c1C(=O)NC1CC2C(C1)C2)C)C(C)(C)C	EMOLS-id_102239279	319.465	RDVUTEJDIYJMOA-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-127523
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CC1CCC(C(C1)C1CCCCN1C(=O)CC1CCC2C1C2)O	EMOLS-id_318312559	319.482	PAWHODQCBRYAMT-UHFFFAOYSA-N	00100010000010000000110000000000000000000000000000000000	22-01-127527
C/C(=CC[C@]1(C(=O)C)C(=N)C[C@@H]2[C@@H]1C2(C)C)/CCCC(O)(C)C	PC-id_102115347	319.482	SHTXIQYGBBOKGT-GPEQJZFHSA-N	00100010000000000000010000000000000000000000000000000000	22-01-127528
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CN1CCCC[C@H]1CN1CCN(CC1)C(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_100873439	319.485	HNNASAHHWJHEPQ-XNHLSEOASA-N	00100000000010000001010000000000000000000000000000000000	22-01-127534
CN1CCCC[C@@H]1CN1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1	PC-id_98205787,ZINC22_101401789	319.485	HNNASAHHWJHEPQ-IKGGRYGDSA-N	00100000000010000001010000000000000000000000000000000000	22-01-127535
CN1CCCC[C@@H]1CN1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1	ZINC22_230090591,PC-id_100893326	319.485	HNNASAHHWJHEPQ-BRWVUGGUSA-N	00100000000010000001010000000000000000000000000000000000	22-01-127536
CN1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)CC1	ZINC22_240668571	319.485	HNNASAHHWJHEPQ-BDXSIMOUSA-N	00100000000010000001010000000000000000000000000000000000	22-01-127537
CN1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)CC1	ZINC22_240668572	319.485	HNNASAHHWJHEPQ-WNRNVDISSA-N	00100000000010000001010000000000000000000000000000000000	22-01-127538
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CC(CC1CCCCN1)N1CC2C(C1)C2CC(C)N1CCCC1	PC-id_135197051,SCHEMBL20350327	319.528	LHUJUYYGBLNNGK-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-127544
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N=C(N(Cc1ccccc1Cl)C)CCCCN1CC2C(C1)C2	PC-id_143307335	319.872	BEHLISQGVWBGBH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127597
CC(C)(C1=C[I]2C[C@@H]2C=C1)C(=O)C(=O)O	PC-id_163745641	319.991	LLPYDDKOSLYRBZ-QMMMGPOBSA-N	00100000000011000000010000000000000000000000000000000000	22-01-127598
CC([C@H]1N(C)CC2C1C2(Cl)Cl)I	PC-id_121258306,SCHEMBL17656194	319.998	AGLBIGUAIRBNPQ-MXFXWPKCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-127599
Brc1cc(nn1CC1CC2C(C1)C2)Br	MCULE-7675649719	320.024	NTBNMKRXAPRDOJ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-127600
C1(Cl)(Cl)C2C1CC(CC2)C(=O)OC(CCl)CCl	MCULE-2761964890,TIMTEC245758,PC-id_5079690	320.04	JPYVZIVSPZMBKG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-127601
ClCC(OC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(Cl)Cl)CCl	PC-id_92262075	320.04	JPYVZIVSPZMBKG-VDAHYXPESA-N	00100000000010000000010000000000000000000000000000000000	22-01-127602
ClCC(OC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(Cl)Cl)CCl	PC-id_92262087	320.04	JPYVZIVSPZMBKG-BWVDBABLSA-N	00100000000010000000010000000000000000000000000000000000	22-01-127603
ClCC(OC(=O)[C@@H]1CC[C@H]2[C@H](C1)C2(Cl)Cl)CCl	PC-id_98153397	320.04	JPYVZIVSPZMBKG-YEPSODPASA-N	00100000000010000000010000000000000000000000000000000000	22-01-127604
ClCC(OC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)C2(Cl)Cl)CCl	PC-id_98153398	320.04	JPYVZIVSPZMBKG-FTLITQJKSA-N	00100000000010000000010000000000000000000000000000000000	22-01-127605
BrC(C1C2C1CCC2)c1cc(Cl)c(Cl)cc1	PC-id_81637482	320.052	YIFGLPOUOKLFEO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127606
BrC(C1C2C1CCC2)c1c(Cl)ccc(Cl)c1	PC-id_81637994	320.052	ODIRTWWNDFMAEB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127607
BrC(C1C2C1CCC2)c1c(Cl)cc(Cl)cc1	PC-id_81638454	320.052	UNVXGWQEYUABPZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127608
BrC(C1CC2C(C2)C1)c1cc(Cl)c(Cl)cc1	PC-id_80469477	320.052	VLEMOLJQFBCDDZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127609
BrC(C1CC2C(C2)C1)c1c(Cl)ccc(Cl)c1	PC-id_80469521	320.052	BBYYMCNLYGYTPL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127610
BrC(C1CC2C(C2)C1)c1c(Cl)cc(Cl)cc1	PC-id_80469426	320.052	ITGIEPDFOFKFPF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127611
C1CC2C(O2)C(C1CC3(CCC4C(C3Cl)O4)C(=O)O)Cl	PC-id_152529097	320.058	YJDRQOIZAHRMCH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-127612
CC1([C@H](C1(Cl)Cl)CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)O)C	PC-id_154037150	320.069	QKAZWKBYYROLIY-LURQLKTLSA-N	00100010000000000000010000000000000000000000000000000000	22-01-127613
CC[C@H](C)[I-]C(C)CCNC=C1C2C1C2	PC-id_163574908	320.088	WMECGDQVJHIZEX-ZLMIFYAYSA-N	00100000000000000000010000000000000000000000000000000000	22-01-127614
CC(=O)O[C@@H]1C2[C@@H](C2OC(=O)C3=CC=CC=C3)OC1OC(=O)C	PC-id_155023145	320.09	YKPHLZOGUXUVBK-ABASOYMWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127615
Fc1cc(Br)c(c(c1C(=O)N1CC2C(C1)C2)F)F	EMOLS-id_318850653	320.105	IAFNZMUKCGMPIE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127616
ClC12C(Cl)(C1(Cl)Cl)CC=CC2O[Si](C)(C)C	PC-id_13868236	320.115	AAOJFHBFWBVCBB-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-127617
ClC12C(Cl)(C1(Cl)Cl)CC=C(O[Si](C)(C)C)C2	PC-id_13868233	320.115	KYIVTQFBBRIHMO-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-127618
CC(=O)NC1[C@@H](OC([C@@]2(C1C2)O)CO)OC1=CC=C(CC1)C#N	PC-id_163585585	320.137	GLEZAHXCGVNJLW-QJYATZHSSA-N	00100000000011000000010000000000000000000000000000000000	22-01-127619
CCC1(CCN(C1=O)c1nc(ncc1)NC1=C2[C@H]1C=NC=C2)C#N	PC-id_163664605	320.139	IXHXOQDMVPNBJX-MTATWXBHSA-N	00110010000011100001110000000000000000000000000000000000	22-01-127620
CN1CCN(CC1=O)C(=O)NC[C@]23C[C@]2(CNC3)C(F)(F)F	MCULE-5475998776,EMOLS-id_317733064,PC-id_154807409	320.146	STFOKSANGCXFAX-VXGBXAGGSA-N	00100010000010000001010000000000000000000000000000000000	22-01-127621
C1CCC(CC2CC2/C=CC1)NS(=O)(=O)c1ccc(cc1)N	PC-id_163663799	320.156	IWPWGOVWVFGZRV-HYXAFXHYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127622
CCO[Si](CCCCl)(CCC1CCC2C(C1)O2)OCC	PC-id_153992520	320.157	KOHLUENEPIJMSA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-127623
CC(C)(C)O[C@H](CC(=O)OCC1=CC=CC=C1)[C@@H]2[C@@H]3[C@@H](O3)CO2	PC-id_154234690	320.162	PQDVDPLNKMAKIS-WTTBNOFXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127624
C1CCC(CC1)C2CSC(N2)C(=O)N3C[C@@H]4[C@H](C3)C4NC#N	PC-id_164805971	320.167	HCGBUHBGPPTCGE-HONBEQNRSA-N	00100010000010000001110000000000000000000000000000000000	22-01-127625
N#Cc1ccc(cc1Br)NC(=O)NC1CC2C(C1)C2	EMOLS-id_102206923	320.184	KIOSWZPDNJUVSF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127626
CCN=C
CC2CC2/C1=C(C(=O)N3CCN(CC3)C(=O)CO)/N	PC-id_153536669	320.185	WNTSCNFHGBNCDV-JXURQHMNSA-N	00100010000010000001010000000000000000000000000000000000	22-01-127627
C1COCCC1(CN1CC2C(C1)C2CNC(=O)C1=CC=CC1)F	PC-id_163647632	320.19	IJPPOQOPJQWQMC-UHFFFAOYSA-N	00100011000010000000010000000000000000000000000000000000	22-01-127628
Cc1c(ccc(c1)F)OCC(C)(C)NC(=O)[C@@H]1[C@@H]2[C@]1(CNC2)C	PC-id_164077406	320.19	WUPIAICRTJQHHX-QIIPPGSGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127629
CCC(c1cc2c(s1)C2(C)I)(C=O)C	PC-id_89412810,SCHEMBL14714150	320.19	ZCBJUKRSXWMXPP-UHFFFAOYSA-N	00100000100000000000010000000000000000000000000000000000	22-01-127630
Ic1cnc(s1)CNC12CCCC1C2	MCULE-3038633671	320.193	HVKVJPXDYOUYKN-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-127631
C1CCOC(=C(C1)C(CC2CO2)C3CO3)CC4CCC5C(C4)O5	PC-id_154495866	320.199	XLWIVUICIOAEDV-UHFFFAOYSA-N	00100000000010000110010000000000000000000000000000000000	22-01-127632
CC1(C)C2C1CN(C2)S(=O)(=O)c1ccc(o1)Br	EMOLS-id_111113691	320.203	FWNKYVIQTMYZEQ-UHFFFAOYSA-N	00100010101000000000010000000000000000000000000000000000	22-01-127633
CCC(C1CC=C(C=C1)OC)(C1CC2CC2C=C1)c1ccccc1	PC-id_163553089	320.214	FKSHCOYWUIDKAN-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-127634
O=C([C@@H]1CC2C(N1)P2)NCc1cccc(c1F)C(F)(F)F	SCHEMBL19234495	320.222	AILQLQXZYNRQIF-QTZUAFFRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127635
Brc1cccc(NC(=O)C2C3CCC=CCCC23)c1	EMOLS-id_2088757	320.224	VFJLLVDFJAJOKF-UPHRSURJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127636
Brc1ccc(NC(=O)C2C3CCCCC=CC23)cc1	EMOLS-id_2394486	320.224	MUOAMSRGVNMLCR-HYXAFXHYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127637
Brc1ccc(NC(=O)C2C3CCC=CCCC23)cc1	EMOLS-id_4509935	320.224	NVXYQEIQUDSTGK-UPHRSURJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127638
Brc1ccc(NC(=O)[C@@H]2C3[C@@H]2C=CCCCC3)cc1	PC-id_26802411	320.224	MUOAMSRGVNMLCR-LWEDLAQUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127639
Brc1ccc(NC(=O)[C@@H]2[C@@H]3[C@H]2C=CCCCC3)cc1	CoCoCo_769044,PC-id_2277317	320.224	MUOAMSRGVNMLCR-ILXRZTDVSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127640
Brc1ccc(NC(=O)[C@@H]2[C@@H]3[C@@H]2C=CCCCC3)cc1	PC-id_11907036	320.224	MUOAMSRGVNMLCR-KKUMJFAQSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127641
Brc1ccc(NC(=O)[C@@H]2[C@H]3[C@@H]2C=CCCCC3)cc1	PC-id_11907038,CoCoCo_769041	320.224	MUOAMSRGVNMLCR-ZNMIVQPWSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127642
Brc1cc(NC(=O)C2[C@H]3[C@@H]2CCC=CCC3)ccc1	PC-id_5409221	320.224	VFJLLVDFJAJOKF-YIONKMFJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127643
C1(C(=O)Nc2cccc(Br)c2)C2C1CCC=CCC2	MCULE-2073577093,PC-id_2856944,EMOLS-id_2088757	320.224	VFJLLVDFJAJOKF-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127644
C1(C(=O)Nc2ccc(cc2)Br)C2C1C=CCCCC2	MCULE-7746818512,EMOLS-id_2394486,PC-id_2894798	320.224	MUOAMSRGVNMLCR-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127645
C1(C(=O)Nc2ccc(cc2)Br)C2C1CCC=CCC2	SPECS-id_AG-205/07671047,MCULE-3901986139,STOCK3S-49302,PC-id_3830355,EMOLS-id_4509935	320.224	NVXYQEIQUDSTGK-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127646
O=C([C@@H]1[C@H]2[C@@H]1CCC=CCC2)Nc1cccc(c1)Br	CoCoCo_671082	320.224	VFJLLVDFJAJOKF-QDMKHBRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127647
O=C(Nc1ccc(Br)cc1)C1[C@H]2CCC=CCC[C@H]12	PC-id_39116964,ZINC22_13658729	320.224	NVXYQEIQUDSTGK-KBPBESRZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127648
O=C(Nc1ccc(Br)cc1)C1[C@H]2CCC=CCC[C@@H]12	ZINC22_102707131	320.224	NVXYQEIQUDSTGK-FEDHDSKHSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127649
O=C(Nc1ccc(Br)cc1)C1[C@H]2CCC=CCC[C@H]12	ZINC22_31906006	320.224	NVXYQEIQUDSTGK-FAVCQXFFSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127650
O=C(Nc1ccc(Br)cc1)C1[C@H]2CCC=CCC[C@@H]12	ZINC22_5023149,PC-id_5425114	320.224	NVXYQEIQUDSTGK-YIONKMFJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127651
O=C(Nc1ccc(Br)cc1)C1[C@@H]2CCC=CCC[C@@H]12	ZINC22_552889,PC-id_5425115	320.224	NVXYQEIQUDSTGK-ZIAGYGMSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127652
O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=CCCCC[C@H]12	CoCoCo_769043,PC-id_98049381,ZINC22_100056486	320.224	MUOAMSRGVNMLCR-QLFBSQMISA-N	00100000000000110110010000000000000000000000000000000000	22-01-127653
O=C(Nc1ccc(Br)cc1)[C@@H]1[C@H]2C=CCCCC[C@@H]12	PC-id_11907039,ZINC22_18083596,CoCoCo_769042	320.224	MUOAMSRGVNMLCR-RRFJBIMHSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127654
O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=CCCCC[C@@H]12	PC-id_98049380,ZINC22_100056485	320.224	MUOAMSRGVNMLCR-RBSFLKMASA-N	00100000000000110110010000000000000000000000000000000000	22-01-127655
O=C(Nc1ccc(Br)cc1)[C@@H]1[C@H]2CCC=CCC[C@@H]12	ZINC22_247740914	320.224	NVXYQEIQUDSTGK-FICVDOATSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127656
O=C(Nc1ccc(Br)cc1)[C@H]1[C@H]2CCCCC=C[C@H]12	ZINC22_5101649,PC-id_11907037	320.224	MUOAMSRGVNMLCR-SOUVJXGZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127657
O=C(Nc1cccc(Br)c1)C1[C@H]2CCC=CCC[C@H]12	ZINC22_16672010,PC-id_39853016	320.224	VFJLLVDFJAJOKF-KBPBESRZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127658
O=C(Nc1cccc(Br)c1)C1[C@@H]2CCC=CCC[C@@H]12	ZINC22_5010046,PC-id_5409222	320.224	VFJLLVDFJAJOKF-ZIAGYGMSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127659
O=C(Nc1cccc(Br)c1)[C@@H]1[C@H]2CCC=CCC[C@@H]12	ZINC22_239425758,CoCoCo_671081	320.224	VFJLLVDFJAJOKF-FICVDOATSA-N	00100000000000110110010000000000000000000000000000000000	22-01-127660
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[Se](C1CC2C(C2=C=CC)C1)c1c([N+](=O)[O-])cccc1	PC-id_85413438	320.245	JWUUBACWBFZGIK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127668
[Se](C1C[C@@H]2[C@@H](C2=C=CC)C1)c1c([N+](=O)[O-])cccc1	PC-id_11141732	320.245	JWUUBACWBFZGIK-BQULKZDUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127669
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Brc1c(CC2(CC3C(C3)C2)CNC2CC2)cccc1	PC-id_80471121	320.267	AAXSUVSBAKDNNL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127677
Brc1cc(CC2(CC3C(C3)C2)CNC2CC2)ccc1	PC-id_80471122	320.267	URWUMJWDQGAUFN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127678
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[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C(=O)CCNC(=O)c1ccccc1F	ZINC22_244811722,EMOLS-id_55625106,MCULE-5329015510	320.316	SJYAHCAYWGUELU-YABSGUDNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127712
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CCOC(=O)[C@H]1C2[C@@H]1[C@@]([C@@H](C2)O)(O)C(=O)OCc1ccccc1	PC-id_70074109,SCHEMBL7385604	320.337	HIYOHPIWPLVTHJ-QFNYKRGWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127734
O1C2C1C(OC(=O)C)C(C2OC(=O)C)COCc1ccccc1	PC-id_85224060	320.337	IAWZTPKTGFVTNK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127735
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OC[C@]12C[C@H]1CCCN2C(=O)CCNC(=O)c1ccc(cc1)F	EMOLS-id_319899133,MCULE-9010157536	320.359	FIGRMOYHFDLYNW-CXAGYDPISA-N	00100000000010110000010000000000000000000000000000000000	22-01-127770
O=C(OC(C)(C)C)N[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1ccccc1F	SCHEMBL4790601	320.359	SBMLMLHASNOCDJ-IMRBUKKESA-N	00100010000000110000010000000000000000000000000000000000	22-01-127771
Cc1cccc(n1)C#CC12CC1CN(C2)C(=O)c1cccc(F)c1	SCHEMBL18810283,BindingDB-id_799486	320.36	LQHJNSXNAFLXGX-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-127772
O=C1C2CC2C(C(=O)C1C(=O)c1ccc(c(c1C)O)S)(C)O	PC-id_141843852	320.36	YVLFCZTVLFYJIF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-127773
O=C1CC2CC2C(=O)C1C(=O)c1ccc(cc1C)S(=O)(=O)C	PC-id_102082242	320.36	JOHHGTSBPZEHQQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-127774
S(=O)(=O)(c1cc(c(C(=O)C2C(=O)[C@H]3[C@H](C3)CC2=O)cc1)C)C	PC-id_76319722	320.36	JOHHGTSBPZEHQQ-CWCJDUIQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-127775
N=C/C=C(/C(=N)c1cc(C)ncc1C=C1c2c1ccc(c2)F)NC	SCHEMBL18899756	320.363	FTNZKTJQOOONEV-ZBQVZLJPSA-N	00100000000000101000010000000000000000000000000000000000	22-01-127776
O=C(c1ccccc1)OC1(C)C(C)C2C(C1C)(C2)P(=O)(C)C	SCHEMBL12151611,PC-id_58521196	320.363	SGDMHAGIBCBFAD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127777
FC1CCC2(C(C1)C2)COc1cc(F)c(cc1C1CC1)C(=O)C	PC-id_145674261	320.374	CEFTZIOVCRDHLR-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-127778
C=C/C=C(/C(CNC(=O)NCC(C1=CC2C(C=C1)C2)F)F)C=C	PC-id_144087202	320.377	BSZAYVHPTWBVAC-LFYBBSHMSA-N	00100000000011000000010000000000000000000000000000000000	22-01-127779
Fc1ccc(c(c1)F)CN(C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)C1CCCC1	MCULE-6097172635,EMOLS-id_319625128	320.377	YWMHQWNXIWHEBG-QLPKVWCKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127780
O=C(C1C2C1CCC2)NC1CNCCC1c1ccc(c(c1)F)F	PC-id_120487517	320.377	AUZYHHBPZLGZCX-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-127781
O=C(C1C2C1CCC2)N[C@H]1CNCC[C@H]1c1ccc(c(c1)F)F	EMOLS-id_319702199	320.377	AUZYHHBPZLGZCX-DOTAUOQPSA-N	00100010000010110000110000000000000000000000000000000000	22-01-127782
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O=C([C@@H]1[C@@H]2[C@H]1CNC2)N(C1CCCC1)Cc1cc(F)ccc1F	MCULE-1550449293,EMOLS-id_319388181	320.377	HYIUACXBDBNUGD-QLPKVWCKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127784
O=C([C@@H]1[C@@H]2[C@H]1CNC2)N(C1CCCC1)Cc1c(F)cccc1F	MCULE-9283151554,EMOLS-id_319298622	320.377	HOPQXEKPILALSP-LAQFHYBYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127785
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CCCCC/C=C/C1=CC(=O)[C@@H]2[C@@]([C@H]1O)(C/C=C(/C(=O)O)C)O2	PC-id_139583266	320.38	GOKUWFBEIWEHHF-YICCVNQVSA-N	00100000000011000000010000000000000000000000000000000000	22-01-127787
COC(C(C12OC1C(=O)CC(C2)(C)C)O)c1ccc(cc1)OC	PC-id_101725665	320.38	BBCAXOGJKPIWQS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-127788
COC(=O)C1(C(c2ccc(c(c2)OC)OC)O)C2C1CCCC2	PC-id_122220710	320.38	DUKYFKXAOQJLBS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-127789
O1C2C1C(C(C2CC(=O)OC)COCc1ccc(OC)cc1)C	PC-id_78117519	320.38	KELYGYQABJDUKP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127790
O1C2C1C(OCC2CC(=O)OC(C)(C)C)OCc1ccccc1	PC-id_14541554	320.38	FVQKGEHLBILFJL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-127791
O1[C@@H]2[C@H]1[C@@H]([C@H]([C@H]2CC(=O)OC)COCc1ccc(OC)cc1)C	PC-id_71573840	320.38	KELYGYQABJDUKP-BBVCAZISSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127792
O1[C@@H]2[C@H]1[C@@H](O)C#CC#C[C@H](O)[C@H](OC(=O)CCCCCCC2)C	PC-id_71533244	320.38	LSWOMHYYUAHSAA-AAEZLKGMSA-N	00100000000000000110010000000000000000000000000000000000	22-01-127793
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O1[C@@H]2[C@H]1[C@H](OC[C@H]2CC(=O)OC(C)(C)C)OCc1ccccc1	PC-id_10892557	320.38	FVQKGEHLBILFJL-IWCQGFGOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-127795
O1[C@H]2[C@@H]1[C@H](OC[C@@H]2CC(=O)OC(C)(C)C)OCc1ccccc1	PC-id_11726959	320.38	FVQKGEHLBILFJL-SVGFKBNWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-127796
O1[C@@H]2[C@H]1[C@H](OC[C@@H]2CC(=O)OC(C)(C)C)OCc1ccccc1	PC-id_21668586	320.38	FVQKGEHLBILFJL-HJWJTTGWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-127797
OC1C(C2C(C2C(O)[C@@H](O)CCc2ccccc2)C1)CC(=O)O	PC-id_22793814	320.38	MODVSFQMAASPPX-QLGCKVLPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127798
OC1C(C2C(C2C(O)C(O)CCc2ccccc2)C1)CC(=O)O	PC-id_21503879	320.38	MODVSFQMAASPPX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127799
O=C1CCCCCCC[C@H]2O[C@@H]2[C@@H](C#CC#C[C@H]([C@@H](O1)C)O)O	PC-id_101912996	320.38	LSWOMHYYUAHSAA-CWIFOLKKSA-N	00100000000000000110010000000000000000000000000000000000	22-01-127800
O=C1OC(C)C(O)C#CC#CC(O)C2OC2CCCCCCC1	PC-id_78101645,CNP0228725	320.38	LSWOMHYYUAHSAA-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-127801
OC(=O)CC1C(O)CC2C1C2[C@H]([C@H](CCc1ccccc1)O)O	SCHEMBL11795117	320.38	MODVSFQMAASPPX-IMNOHLGRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-127802
O=C(O)C(=CCC12OC1C(=O)C=C(C=CCCCCC)C2O)C	CNP0354196	320.38	GOKUWFBEIWEHHF-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-127803
NCCCCNC(CCCO[C@@H]1O[C@@]2(C(C1O)C2CO)O)O	PC-id_145642004	320.382	LGLCTJKWZWAYPH-RXENIJKDSA-N	00100010000000000000010000000000000000000000000000000000	22-01-127804
O(C(=O)C1C2C1C=C(C2)C)Cc1cc(Oc2ccccc2)ccc1	PC-id_53462996	320.382	BOLWAQBRKQMXEB-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-127805
O(C(=O)[C@H]1[C@H]2[C@@H]1C=C(C2)C)Cc1cc(Oc2ccccc2)ccc1	PC-id_176813	320.382	BOLWAQBRKQMXEB-XUVXKRRUSA-N	00100011000000110000010000000000000000000000000000000000	22-01-127806
O(C(=O)[C@@H]1[C@H]2[C@@H]1C=C(C2)C)Cc1cc(Oc2ccccc2)ccc1	PC-id_179163	320.382	BOLWAQBRKQMXEB-ZCNNSNEGSA-N	00100011000000110000010000000000000000000000000000000000	22-01-127807
CC(C)(C)c1cnc(CCC(=O)N2CC[C@@H]3[C@H](C(=O)O)[C@@H]3C2)o1	ZINC22_910847622	320.383	GAKWSGRQVKQCFL-RWSFTLGLSA-N	00100000100010000001010000000000000000000000000000000000	22-01-127808
COCCOc1cccc(c1)NC(=O)NC12CC1COC2(C)C	EMOLS-id_316971289,MCULE-1918966409	320.383	YKHLYLBMFKCDDU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127809
COCCOc1cccc(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)c1	ZINC22_528925552	320.383	YKHLYLBMFKCDDU-PXAZEXFGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127810
Brc1ccsc1C(C12CCCC1C2)Br	MCULE-6087107415	336.086	WZZKTARWKPXCMN-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-135952
COCCOc1cccc(NC(=O)N[C@@]23C[C@H]2COC3(C)C)c1	ZINC22_528925553	320.383	YKHLYLBMFKCDDU-SJCJKPOMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127811
COCCOc1cccc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)c1	ZINC22_528925554	320.383	YKHLYLBMFKCDDU-SJKOYZFVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127812
COCCOc1cccc(NC(=O)N[C@]23C[C@H]2COC3(C)C)c1	ZINC22_528925555	320.383	YKHLYLBMFKCDDU-YVEFUNNKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127813
Oc1ccc(c(c1)O)CNC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_107238480	320.383	BHUARJYIUORHCL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127814
OC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)N[C@H](c1ccc(cc1OC)OC)C	EMOLS-id_319529288	320.383	QGHRETTYYHZYCP-BSLXNSKLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127815
O=C(N1CC2C(C1)C2NCc1ccc(c(c1)O)O)OC(C)(C)C	PC-id_107238539	320.383	YKBVYQFNWPWPMT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127816
O=C(N1CC2C(C1)C2NCc1cccc(c1O)O)OC(C)(C)C	PC-id_107238768	320.383	CXOGUGAHFAZBJJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127817
Cc1ccc(cc1)c1ccccc1C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N)C2	PC-id_68634500,SCHEMBL3416998	320.385	ALUOOSXJDNHXJR-WBAXXEDZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127818
Cc1ccc(cc1)c1ccccc1C(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)N)C2	SCHEMBL2931896,PC-id_68445810	320.385	ALUOOSXJDNHXJR-OLMNPRSZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127819
Cc1ccc(cc1)C(c1ccccn1)NC(=O)C1C2C1C(=O)CC2	EMOLS-id_318634896	320.385	MUOARNLIIDBLSX-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-127820
Cc1cccc(c1)C(c1ccccn1)NC(=O)C1C2C1C(=O)CC2	EMOLS-id_318717220	320.385	NKBGQCUHPQYJQS-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-127821
C[C@@H](NC(=O)C12CC1C2)c1cccc(NC(=O)c2ccccc2)c1	ZINC22_2325898190	320.385	WNUVBTXYLGEVRY-CETSPDHXSA-N	00101000000000110000010000000000000000000000000000000000	22-01-127822
C[C@H](NC(=O)C12CC1C2)c1cccc(NC(=O)c2ccccc2)c1	ZINC22_2325898191	320.385	WNUVBTXYLGEVRY-CZTOGXCSSA-N	00101000000000110000010000000000000000000000000000000000	22-01-127823
NC(=O)[C@@H]1C2C[C@H]2CN1C(=O)c1ccccc1c1cccc(c1)C	SCHEMBL3416131,PC-id_68634178	320.385	BYVRHMXEZWNWMY-HRWMIKOJSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127824
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(cc1c1ccccc1)C	PC-id_68443533,SCHEMBL2926153	320.385	FZEPWBJHZQZHMH-OLMNPRSZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127825
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccccc1c1cccc(c1)C	PC-id_68633383,SCHEMBL3414065	320.385	BYVRHMXEZWNWMY-WBAXXEDZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127826
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cccc(c1c1ccccc1)C	SCHEMBL2924242,PC-id_68442751	320.385	ICSMOKLWGRBRGV-KYJSFNMBSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127827
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1c1cccc(c1)C	SCHEMBL2926957,PC-id_68443841	320.385	BYVRHMXEZWNWMY-OLMNPRSZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127828
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cc(C)ccc1c1ccccc1	SCHEMBL2928729,PC-id_68444465	320.385	YMIYAVBWPNMRKT-KYJSFNMBSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127829
O=C1N(Cc2ccccc2)C(=O)C2(C1(C)N2Cc1ccccc1)C	SCHEMBL9524116,PC-id_54454233	320.385	WXBAATHFLXQJRT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-127830
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O=C(N)C1N(CC2C1C2)C(=O)c1c(c2ccc(cc2)C)cccc1	PC-id_76542632	320.385	ALUOOSXJDNHXJR-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127832
O=C(N)C1N(CC2C1C2)C(=O)c1c(c2cc(ccc2)C)cccc1	PC-id_76542633	320.385	BYVRHMXEZWNWMY-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127833
O=C(N)C1N(CC2C1C2)C(=O)c1c(cc(cc1)C)c1ccccc1	PC-id_76542701	320.385	FZEPWBJHZQZHMH-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127834
O=C(N)C1N(CC2C1C2)C(=O)c1c(c(ccc1)C)c1ccccc1	PC-id_76542712	320.385	ICSMOKLWGRBRGV-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127835
O=C(N)C1N(CC2C1C2)C(=O)c1c(ccc(c1)C)c1ccccc1	PC-id_77501174	320.385	YMIYAVBWPNMRKT-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127836
O=C(N)[C@@H]1N(C[C@H]2[C@@H]1C2)C(=O)c1c(c2ccc(cc2)C)cccc1	PC-id_57489163	320.385	ALUOOSXJDNHXJR-JCGIZDLHSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127837
O=C(N)[C@@H]1N(C[C@H]2[C@@H]1C2)C(=O)c1c(c2cc(ccc2)C)cccc1	PC-id_57489164	320.385	BYVRHMXEZWNWMY-JCGIZDLHSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127838
O=C(N)[C@@H]1N(C[C@H]2[C@@H]1C2)C(=O)c1c(cc(cc1)C)c1ccccc1	PC-id_57489293	320.385	FZEPWBJHZQZHMH-JCGIZDLHSA-N	00100010000000110000110000000000000000000000000000000000	22-01-127839
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CC(C)(C)n1cc(CNC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)c(O)nc1=O	ZINC22_922971568	320.387	LQBMUHZNJPNSRA-PEGIJTEDSA-N	00100010000010100001010000000000000000000000000000000000	22-01-127845
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CC(CN1N=C(CCC1=O)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	MCULE-1649356969,EMOLS-id_319902673	320.387	LFPAWPJXONZVJV-BZNIZROVSA-N	00100000000011000001010000000000000000000000000000000000	22-01-127849
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COCc1noc(n1)CN1CCN(CC1)C(=O)C1C2C1CCC2	EMOLS-id_101024158	320.387	BGHDIMJUPOCXEV-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-127851
BrC(C1C2C1CCC2)c1sc(Br)cc1	PC-id_81637999	336.086	RGVQGKLDPYTHII-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-135953
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Brc1cc(c(NC2C3C2CNC3)cc1)C(F)(F)F	PC-id_65485770	321.136	DSWMISLNJIWPMG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128204
FC(c1ccc(cc1NC1C2C1CNC2)Br)(F)F	PC-id_107286811	321.136	CDDAOPFDHUWLSN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128205
C1CC1C2=C(C=CC(=C2F)C(=O)N)OCC34CCC(CC3C4)F	PC-id_153931800	321.154	HRFZSVQUMFAWSL-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-128206
CC=NC(=O)C1CCCN1C(=O)CNC(=O)OC1CC2CC2C1	PC-id_163797687	321.169	NCGMUTYMOGLLSU-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128207
CCC[C@@H]1CC[C@H]2C[C@H]2N1C(=O)C3=CC=CC=C3C4=NC=CC=N4	PC-id_161833970	321.184	PDWXXCMCJRUKRA-HDMKZQKVSA-N	00100000000010110001110000000000000000000000000000000000	22-01-128208
C1CC2C(C2COC(=O)CCCCC[C@@H](C(=O)O)N)CCC#C1	PC-id_161837559	321.194	XXIDNRWDZXAAEU-AUSYRVNMSA-N	00100000000000000110010000000000000000000000000000000000	22-01-128209
C=CCC[C@]12CCC[C@@]1(C2)OC(=O)N[C@@H](C1CCCC1)C(=O)O	PC-id_163954868	321.194	SCMCUHQDRFBPGA-QGTPRVQTSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128210
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)CC3CCCCC3=O	PC-id_162155499	321.194	FXMKJQCQMGPVLL-CPIKKWJDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128211
CC(=O)CCOCCCNC(=O)OCC1[C@H]2[C@@H]1CCC#CCC2	PC-id_164007974	321.194	UORLFRGMMYVJRQ-SJPCQFCGSA-N	00100000000000000110010000000000000000000000000000000000	22-01-128212
C1CC2C(O2)CC1CC1(CCC2C(C1(Cl)Cl)O2)C(=O)O	PC-id_88668862,SCHEMBL10790830	321.196	OBYZDIDJULESTM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128213
C1CC2C(O2)CC1C(OC(=O)C1(CCC2C(C1)O2)Cl)Cl	PC-id_88786592,SCHEMBL11490628	321.196	CYJXPASMYUEYDX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128214
CC1C2C(O2)CCC1(C(=O)OC1(CCC2C(C1)O2)Cl)Cl	SCHEMBL11432929,PC-id_88779013	321.196	VWNLXNKVVIHTQZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128215
ClC1C2OC2CCC1COC(=O)C1C(Cl)C2OC2CC1	PC-id_20158514,SCHEMBL9261103	321.196	PAWYULSFQGLVMG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128216
ClC1(CC2OC2CC1)COC(=O)C1(Cl)CC2OC2CC1	PC-id_20533673,SCHEMBL11272309	321.196	AYJACAXYVWQQQY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128217
ICCCCCNC(=O)C1C2C1CCC2	PC-id_107322179	321.198	PKJDLDURPQLCBV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128218
ICC(C(C)C)NC(=O)C1C2C1CCC2	PC-id_107859883	321.198	ULQMWYYOBDIXFX-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128219
ICCCCCNC(=O)C1CC2C(C1)C2	PC-id_107322565	321.198	IMPGKLZZYHSAEV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128220
ICC(C(C)C)NC(=O)C1CC2C(C1)C2	PC-id_107860112	321.198	APSDRQQFCRCYTJ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128221
ICCCCNC(=O)C1C2C1CCCC2	PC-id_106846175	321.198	FNDLMBLZKZMISI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128222
CC1(CC1)C(=C)O/N=C(C12CC1CN(C2)C(=O)OC(C)(C)C)/N	PC-id_163839160	321.205	OKJIBICCUFJWCQ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128223
CC(C)(C)C(C(=O)N1[C@@H](C[C@H]2C1C2)C#N)NC(=O)OC(C)(C)C	PC-id_148779797	321.205	OKBLZYADTQEODZ-IALDZJHCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128224
Br[C@H](C(=O)O[C@@H]1[C@@H]2[C@@H](C2)[C@H](OCCOCC)C1)C	PC-id_10313971	321.207	YJQAJBDMNFSLJJ-MJDLHHQISA-N	00100010000010000000010000000000000000000000000000000000	22-01-128225
Brc1ccc(C=NNC(=O)C2C3C2CCCC3)cc1	PC-id_3096095	321.212	IHPLKRLWXZUJJN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128226
Brc1ccc(C=NNC(=O)C2[C@H]3[C@@H]2CCCC3)cc1	PC-id_836009	321.212	IHPLKRLWXZUJJN-PBWFPOADSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128227
NC(=O)C(C(NC(=O)C1N(B)CC2C1C2(C)C)CC1CCC1)O	SCHEMBL11950481	321.223	OROROPHNONFVOO-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-128228
CC[C@H](CC1=C([C@H]2C[C@@]2([C@H](C1)C)CC=O)OC)C(=NC(N)N)C	PC-id_163843525	321.242	OOCOSQSIFQCLCD-HMECXNKFSA-N	00100000000011000000010000000000000000000000000000000000	22-01-128229
COCCOCCOCCC1(CBr)CC2C(C1)C2	PC-id_104568779	321.251	ACOXMWPTQNWBJJ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128230
CCNNC(CC1(C=CC2(CC2C#C1)CNCOC)C)NNC	PC-id_155003130	321.253	KCAVDSJPYWSKLT-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-128231
Brc1ccc(nc1)CC1(CNC2CC2)CC2C(C1)C2	PC-id_104810904	321.255	SVAZOMCEMMUQLP-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-128232
Brc1cncc(c1)CC1(CNC2CC2)CC2C(C1)C2	PC-id_104810905	321.255	RTLIDAQPQQYISQ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-128233
OC(=O)[C@@H]1[C@@H]2[C@@H](C2(F)F)CN1S(=O)(=O)c1ccc(cc1)F	PC-id_122490126,SCHEMBL18018352	321.272	JOMOOOOYWYQLCN-GUBZILKMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128234
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(c(O)c1)OC	MCULE-8514876294,ZINC22_1704331332,PC-id_135118269,EMOLS-id_317363642	321.282	RFWNCUNUWBALES-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128235
COc1ccc(cc1)C(=O)N1CC2(C(C1=O)(O2)C(=O)OC)OC	PC-id_101710436	321.282	IJLMIRPGVBKEEY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128236
O1C2C(C2C(=O)O)C(C1)(C(=O)OC(N)c1ccccc1)C(=O)O	SCHEMBL5972878,PC-id_69624886	321.282	FJRQCZCERHZYJN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128237
O[C@@H]1C(=C[C@H]([C@H]2[C@@H]1O2)O[Si](C(C)(C)C)(C)C)Br	PC-id_101083260	321.283	LOEJGMJYJIUOQA-CHWFTXMASA-N	00100000000011000000010000000000000000000000000000000000	22-01-128238
O[C@H]1C(=C[C@H]([C@H]2[C@@H]1O2)O[Si](C(C)(C)C)(C)C)Br	PC-id_101083261	321.283	LOEJGMJYJIUOQA-VPOLOUISSA-N	00100000000011000000010000000000000000000000000000000000	22-01-128239
BrC(C1C2C1CCC2)c1c(c(c(c(c1C)C)C)C)C	PC-id_81636971	321.295	PZBQATDXRQHIHJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128240
BrC(C1C2C1CCC2)c1ccc(cc1)C(CC)(C)C	PC-id_81638165	321.295	YSZPKPNHWFDMFV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128241
BrC(C1C2C1CCCC2)c1ccc(cc1)CCCC	PC-id_81636975	321.295	PNZFGKRRADGCRJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128242
BrC(C1C2C1CCCC2)c1ccc(cc1)C(C)(C)C	PC-id_81637311	321.295	PMXKXCDTSQKBRV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128243
BrC(C1C2C1CCCC2)c1ccc(cc1)CC(C)C	PC-id_81637641	321.295	OQSQRTYPMKJSLV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128244
BrC(C1C2C1CCCC2)c1ccc(cc1)C(CC)C	PC-id_81638570	321.295	LBKRZXWSOOFCCD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128245
BrC(C1C2C1CCCC2)c1c(c(cc(c1C)C)C)C	PC-id_81638571	321.295	QZZIWFXUFKAJDB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128246
BrC(C1C2C1CCCC2)c1c(CC)ccc(c1)CC	PC-id_81636982	321.295	CBVBBMCJLWBMQZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128247
BrC(C1CC2C(C2)C1)c1c(c(c(c(c1C)C)C)C)C	PC-id_80470749	321.295	NPEMGMFJAOENBQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128248
BrC(C1CC2C(C2)C1)c1ccc(C(CC)(C)C)cc1	PC-id_80469351	321.295	UDRGZFMIVLKREG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128249
BrCC1(CC2C(C2)C1)Cc1ccc(cc1)C(C)(C)C	PC-id_80473294	321.295	CREOKWDBMJRJJC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128250
CCc1cc(ccc1CC)C(C1C2C1CCCC2)Br	PC-id_113319254	321.295	MQHDPPAJDDGWPN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128251
C(C(=O)O)(F)(F)F.N1([C@H]2[C@H](C2)CC1C#N)C(=O)[C@@H](N)C(C)C	CHEMBL88680	321.296	KMJUPTKLVNXHHZ-WCLBELRASA-N	00100010000000000000010000000000000000000000000000000000	22-01-128252
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Fc1ccc(cc1)c1[nH]nc(c1)C(=O)N1CC2C(C1)(C2)C(F)F	EMOLS-id_320342909,PC-id_139021967,MCULE-7973272268	321.297	ZRXBRMOXKVIYIT-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128255
FC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1c[nH]nc1c1c(F)cccc1F	EMOLS-id_317262567,MCULE-7861723496	321.297	NBGSZADVTIQEAL-UIKWRGBMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128256
O=C(c1cc(c2ccc(F)cc2)[nH]n1)N1C[C@H]2C[C@]2(C(F)F)C1	ZINC22_1776008247	321.297	ZRXBRMOXKVIYIT-HWPZZCPQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128257
O=C(c1cc(c2ccc(F)cc2)[nH]n1)N1C[C@@H]2C[C@@]2(C(F)F)C1	ZINC22_1776008248	321.297	ZRXBRMOXKVIYIT-MGPLVRAMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128258
O=C(c1cc(c2ccc(F)cc2)[nH]n1)N1C[C@@H]2C[C@]2(C(F)F)C1	ZINC22_1776008249	321.297	ZRXBRMOXKVIYIT-QFYYESIMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128259
O=C(c1cc(c2ccc(F)cc2)[nH]n1)N1C[C@H]2C[C@@]2(C(F)F)C1	ZINC22_1776008250	321.297	ZRXBRMOXKVIYIT-QLJPJBMISA-N	00100010100000110001110000000000000000000000000000000000	22-01-128260
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1ccc(c(F)c1)C	EMOLS-id_317367032,ZINC22_1704353032,PC-id_135087464,MCULE-6152479719	321.3	IZMJPYBSFKYNAK-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128261
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CCc1ccccc1F	ZINC22_1704311468,MCULE-4143645777,EMOLS-id_317334398,PC-id_135105543	321.3	LAEHMMYLVBIZFL-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128262
Fc1ccc(C(=O)N2CC3C(C3NC(=O)CNC(=O)O)C2)cc1	SCHEMBL4635114,PC-id_69121883	321.304	DGPUCFGDZPPINL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128263
COc1nc(nc(n1)C)Nc1c2c(=O)c2ccc1S(=O)(=O)N	PC-id_140370291	321.312	XKWSBQWLKKNNEG-UHFFFAOYSA-N	00010000000000100001010000000000000000000000000000000000	22-01-128264
CC12CC1CN(C2)S(=O)(=O)c1cccc(OC(F)(F)F)c1	EMOLS-id_317890519,PC-id_138807520,MCULE-3426741618	321.315	PLIWLJSLZNPOKH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128265
C[C@]12C[C@@H]1CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2	ZINC22_1775979913	321.315	PLIWLJSLZNPOKH-BXKDBHETSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128266
C[C@@]12C[C@H]1CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2	ZINC22_1775979914	321.315	PLIWLJSLZNPOKH-CABZTGNLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128267
C[C@]12C[C@H]1CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2	ZINC22_1775979915	321.315	PLIWLJSLZNPOKH-JOYOIKCWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128268
C[C@@]12C[C@@H]1CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2	ZINC22_1775979916	321.315	PLIWLJSLZNPOKH-SKDRFNHKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128269
Cc1ccc(cc1)S(=O)(=O)N1C[C@@]2([C@H]([C@H]1C(F)(F)F)O2)C	PC-id_139040715,1508812_OpenMolecule	321.315	NNHVRQNJTNDTFR-SDDRHHMPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128270
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1cc(F)c(c(c1)F)F	EMOLS-id_319201321	321.315	XSOFEMHDCFQFEG-AMIZOPFISA-N	00100000000010110000010000000000000000000000000000000000	22-01-128271
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1c(F)cc(cc1F)F	EMOLS-id_319021285	321.315	FVWJBLYFWLHTMW-AMIZOPFISA-N	00100000000010110000010000000000000000000000000000000000	22-01-128272
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[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1ccccc1OCCO)C(=O)O	EMOLS-id_317326722,MCULE-1905813621,ZINC22_1704313122,PC-id_135107695	321.325	GAKJFBWMALJARL-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128275
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1c(cccc1OC)OC)C(=O)O	ZINC22_1704325861,EMOLS-id_317385121,PC-id_135111685,MCULE-3888408802	321.325	VEJQKWSBHWKXLW-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128276
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cccc(OC)c1OC)C(=O)O	PC-id_135103485,EMOLS-id_317342082,MCULE-6908718591,ZINC22_1704316055	321.325	UDMIVMYAJNILMD-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128277
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CCn1cc(c2n[nH]cc2C(=O)N2C[C@@H]3C[C@]3(C(F)F)C2)cn1	ZINC22_1776008239	321.325	XPMPQBLROBUTDF-BONVTDFDSA-N	00100010100000000001110000000000000000000000000000000000	22-01-128279
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O=C(Nc1nc(CN2CCCCCC2)cs1)[C@@H]1[C@H]2COC[C@@H]12	ZINC22_667022192,EMOLS-id_320365162,MCULE-5707203900	321.438	YDPOTJSGNVNKMQ-WDNDVIMCSA-N	00100010100000000101010000000000000000000000000000000000	22-01-128468
O=S(=O)(C1C2C1CCCC2)N1CCC(CC1)c1ccncn1	EMOLS-id_318848001	321.438	AOIDKFXEWCFMGQ-UHFFFAOYSA-N	00100000000010100001110000000000000000000000000000000000	22-01-128469
O=S(=O)(C1C2C1CCCC2)N1CCN(CC1)c1ccncc1	EMOLS-id_319253736	321.438	DSXLAIREXPZMCI-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-128470
O=S(=O)(c1ccc(nc1)NC1CC2C(C1)C2)N1CCCCC1	EMOLS-id_102234970	321.438	PLSQYPPIBCCRDD-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-128471
O=S(=O)(c1ccc(nc1)NC1CCCC2C1C2)N1CCCC1	MCULE-1472986007,EMOLS-id_318229078	321.438	GKFCMCQMYBJMPC-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-128472
O=S(=O)(c1ccnc(c1)NC1CCCC2C1C2)N1CCCC1	EMOLS-id_318317256,MCULE-1668907349	321.438	SZXRCQJFYZNQKY-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-128473
O=S(=O)(N1CCc2c(C31CCC3)[nH]cn2)C1C2C1CCCC2	EMOLS-id_318877195	321.438	YJGDYZARRAMIAG-UHFFFAOYSA-N	00101000100010000001010000000000000000000000000000000000	22-01-128474
O=S(=O)(N1CCCCC1c1ncccn1)C1C2C1CCCC2	EMOLS-id_319970552,MCULE-7797779632	321.438	HYLTYQSPTGAYKB-UHFFFAOYSA-N	00100000000010100001110000000000000000000000000000000000	22-01-128475
Cc1nsc(n1)N1CCCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102211351	321.441	QMZKUIDZVGJHLU-UHFFFAOYSA-N	00100010100010000101110000000000000000000000000000000000	22-01-128476
CCc1nsc(n1)N1CCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102211339	321.441	ZBPLWDRGJLWBQP-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-128477
O=C(N1CC2C(C1)C2(C)C)CSc1nnnn1C1CCCC1	EMOLS-id_111162110	321.441	VEPFPKFPRPTCCJ-UHFFFAOYSA-N	00100010100000000001110000000000000000000000000000000000	22-01-128478
[N-]=[N+]=NCCCC1(COC(=O)C)C2[C@]1(C=CC2=O)[Si](C)(C)C	PC-id_102376591	321.447	KBPCUZIJOGNDML-NRXISQOPSA-N	00100011000000000000010000000000000000000000000000000000	22-01-128479
[Si](C12C(C1C(=O)C=C2)(CCCN=[N+]=[N-])COC(=O)C)(C)(C)C	PC-id_85232725	321.447	KBPCUZIJOGNDML-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-128480
[Si]([C@]12C([C@H]1C(=O)C=C2)(CCCN=[N+]=[N-])COC(=O)C)(C)(C)C	PC-id_10687248	321.447	KBPCUZIJOGNDML-LOWNFYCTSA-N	00100011000000000000010000000000000000000000000000000000	22-01-128481
CC1CCC(C2C1C2C(=O)OC1(CCCCC1)C(=O)N)C(C)C	PC-id_91117657	321.454	ZHKROBXRUGZVTF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128482
CN(/C=C/1C(=O)[C@@H]2[C@H]([C@]1(C)C(=O)OC(C)(C)C)[C@H]2C(C)(C)C)C	SCHEMBL8764907,PC-id_67685422	321.454	PDCHWDUCLQXJST-PKJLMAHCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128483
O=C1C2C(C2C(C)(C)C)C(C1=CN(C)C)(C)C(=O)OC(C)(C)C	PC-id_77336344	321.454	PDCHWDUCLQXJST-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128484
O=C(C1CCCCCCC1)N[C@H]1CCC(CC2C(C1)C2)C(=O)O	SCHEMBL21450588,PC-id_139571981	321.454	QDYFUGQURZKOAB-GZUIOVLMSA-N	00100000000000000100010000000000000000000000000000000000	22-01-128485
Cc1ccc(c(c1)C(c1ccccc1)CCN1CC2C(C1)(C2)C)O	PC-id_10403814,SCHEMBL4830935	321.456	YXRQVWQZHREQJU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128486
Cc1ccc(c(c1)C(c1ccccc1)CCN1CC2C(C1C)C2)O	SCHEMBL4834981,PC-id_9840123	321.456	UKYRHFCTPDJDMB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128487
Cc1ccc(O)c(C(CCN2C[C@H]3C[C@@]3(C)C2)c2ccccc2)c1	PC-id_44400185,BindingDB_PC-id_44400185,CHEMBL192885	321.456	YXRQVWQZHREQJU-VWIBBUNHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128488
Cc1ccc(O)c(C(CCN2C[C@H]3C[C@H]3C2C)c2ccccc2)c1	BindingDB_PC-id_10381417,CHEMBL192061,PC-id_10381417	321.456	UKYRHFCTPDJDMB-MLFFRYNPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128489
CCC(c1cc(C)ccc1O)(N1CC2C(C1C)C2)c1ccccc1	SCHEMBL6151914,PC-id_69684447	321.456	VWKHPBQRCHCLTM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128490
CC(NC(=O)Cc1ccc(cc1)C(C)C)CCc1ccc2c(c1)C2	PC-id_143561863	321.456	OUNPVTWNVUGMFB-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-128491
CS(=O)(=O)CC1CCN(C1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_318972581	321.456	VHWSDMUFFNJLCY-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128492
O1C2C1CCCCCC2N(Cc1ccccc1)Cc1ccccc1	PC-id_74964212	321.456	FFBPFOLFNKZBRJ-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-128493
O1[C@@H]2[C@H]1CCCCC[C@H]2N(Cc1ccccc1)Cc1ccccc1	PC-id_44245485	321.456	FFBPFOLFNKZBRJ-VSKRKVRLSA-N	00100000000000110100010000000000000000000000000000000000	22-01-128494
OC12C(C1)CC[C@H](N([C@@H](C)c1ccccc1)Cc1ccccc1)C2	PC-id_11001785	321.456	KYZDFRGAXGFRJZ-SWYDAUSRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128495
OC12C(C1)CCC(N(C(C)c1ccccc1)Cc1ccccc1)C2	PC-id_85362230	321.456	KYZDFRGAXGFRJZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128496
O=S(=O)(C1C2C1CCCC2)NCC1CCS(=O)(=O)CC1	EMOLS-id_320054684,MCULE-9344422501	321.456	KLBZVVGWRIPOGC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128497
CCC([C@@H](C(=O)N1CC2C(C1)C2(C)C)NC(=O)N1CCCC1)C	EMOLS-id_111162101	321.458	STOWHAKZUNAGKN-BOADVZGGSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128498
CCCC(NC(=O)C1CCCN(C1)C(=O)NC1CC2C(C1)C2)C	EMOLS-id_102212650	321.458	ZOWJTQYAYCCVOW-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128499
CC(CC(=O)N1CCC(CC1)NC(=O)N1CC2C(C1)C2(C)C)C	EMOLS-id_111237839	321.458	LJRUFYYYDRCQSG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128500
CCC(C(=O)N1CCC(CC1)NC(=O)NC1CC2C(C1)C2)CC	EMOLS-id_102203013	321.458	AWOSUBHVRCMLRE-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128501
CC(CNC(=O)N1CCCC(C1)CC(=O)NC1CC2C(C1)C2)C	EMOLS-id_102237627	321.458	QZERUYMMKDPMML-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128502
CC(CNC(=O)N1CCCC(C1)C(=O)N1CC2C(C1)C2(C)C)C	EMOLS-id_111161927	321.458	XXMLPNYXPSNEIF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128503
CC(NC(=O)NC1(CCCCC1)C(=O)N1CC2C(C1)C2(C)C)C	EMOLS-id_111380977	321.458	VUQGZAORSFACKB-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128504
OC1CCCC1N1CCC(CC1)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_100659662	321.458	PIBIHBVXXVVTLS-UHFFFAOYSA-N	00100010000010000000110000000000000000000000000000000000	22-01-128505
O=C(CC1CCC2C1C2)NC1CCN(CC1)C(=O)NC(C)(C)C	EMOLS-id_101336680	321.458	ADVOZALKRVZITK-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128506
O=C(N1CC2C(C1)C2NC1CN(C(C1)C)C1CC1)OC(C)(C)C	PC-id_107238649	321.458	ROTJOPNFTPMUCN-UHFFFAOYSA-N	00100010000000000000110000000000000000000000000000000000	22-01-128507
O=C(NC1CC2C(C1)C2)NC1CCN(CC1)C1CCCCC1O	EMOLS-id_102218716	321.458	IEFLLBGXRUFPCR-UHFFFAOYSA-N	00100010000010000000110000000000000000000000000000000000	22-01-128508
O=C(NC1CC2C(C1)C2)NCC1(CCCCC1)N1CCOCC1	EMOLS-id_102194866	321.458	FIEGAWJYLAKLNW-UHFFFAOYSA-N	00100010000010000001110000000000000000000000000000000000	22-01-128509
CCN(C(CCC1C2[C@@]1(F)C=NC(=N2)C)(CC)C)C1CCCC1	PC-id_139423581,SCHEMBL21283131	321.476	FJYSRQPGUBUBCZ-GLCUGAKSSA-N	00100010000011000001010000000000000000000000000000000000	22-01-128510
CC(C1CCC2(C(C1)O2)C)(N1CCCCC1)CCC1OC1(C)C	PC-id_143374526	321.497	XWEBFWCHCGULHQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128511
CCCC(CC1CC2OC2CC1C)(CC1CC2OC2CC1C)N	SCHEMBL728299	321.497	BWKBCPYASRUBQX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128512
CCCCN(CC1CC2C(O2)CC1C)CC1CC2C(O2)CC1C	PC-id_87148898,SCHEMBL728298	321.497	GSUUPOPOZOFHQR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128513
CCCCN(CC1CCC2C(C1C)O2)CC1CCC2C(C1C)O2	PC-id_87964562,SCHEMBL6252351	321.497	YKCBVSSWUKYJPU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128514
CCCCCCCOC1=CC2(C(C(=N1)N)C2)N(CCC)CCC	PC-id_143533389	321.501	VOZRRSXKWAQDBE-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-128515
Cc1ccc(cc1)S(=O)(=O)N1C=CC2C(C1)C2[Si](C)(C)C	PC-id_102377032	321.51	WZTPHMLQFVHAHN-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-128516
CCC1(C)CCC2(C)NC2(C(C(C1(C)C(C)(C)C)(C)C)(C)C)C	SCHEMBL19126169	321.584	KVCWQIMVUPCOFD-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-128517
Brc1c(F)cc(C(Cl)C2C3C2CCC3)c(F)c1	PC-id_81638160	321.588	KOOSZBWAKVQGJZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128518
Brc1c(F)cc(C(Cl)C2CC3C(C3)C2)c(F)c1	PC-id_80469428	321.588	ZMRSFKLRSAWERX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128519
BrC(c1cc(F)c(cc1Cl)F)C1C2C1CCC2	PC-id_107477576	321.588	YXHJOWFAFAOBDU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128520
BrC(c1cc(F)c(cc1Cl)F)C1CC2C(C1)C2	PC-id_107477683	321.588	RQTBSWMWJADODX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128521
Brc1sc(C(O)C2C3C2CCCC3)cc1Cl	PC-id_81643568	321.661	UURWDTXYBHFPAT-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-128522
OC(C1C2C1CCCC2)c1cc(c(s1)Cl)Br	PC-id_102835168	321.661	FBFWZVMMEGOTIW-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-128523
O=C(N(c1cccc(n1)OC(F)(F)F)Cl)[C@@H]1C[C@@H]2[C@H](N1)C2	PC-id_140318890	321.683	UPYXQIIOYLSXSP-PRJMDXOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-128524
Clc1ccc(c(c1)[N+](=O)[O-])C(=O)C1C(=O)C(C)C2C(C1=O)C2	SCHEMBL8985982,PC-id_19372399	321.712	LAMVIYOZKPRNQT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128525
Clc1ccc(c(c1)[N+](=O)[O-])C(=O)C1C(=O)C(C)[C@@H]2[C@H](C1=O)C2	SCHEMBL8985980,PC-id_22857524	321.712	LAMVIYOZKPRNQT-PXJQIQSRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128526
Clc1cc([N+](=O)[O-])c(C(=O)C2C(=O)[C@H]3[C@H](C3)[C@@H](C2=O)C)cc1	PC-id_11759062	321.712	LAMVIYOZKPRNQT-YPQBGLEASA-N	00100000000010110000010000000000000000000000000000000000	22-01-128527
O=CC1C2CC2CC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])Cl	PC-id_141778768	321.712	VMTAWAOAOOHREM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128528
C12CCCCC1C2C(=O)NN=Cc1c(Cl)ccc(c1)N(=O)=O	PC-id_2838430,MCULE-9056326462	321.759	HQRKGHHCRAFOST-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128529
O=C(NC1C[C@@H]2C[C@H]2C1)c1nc(C2CC2)ncc1Br	ZINC22_333635939	322.2	WNOZIJXUOOCYRO-IUCAKERBSA-N	00100010000010100001110000000000000000000000000000000000	22-01-128596
Clc1c(C=NNC(=O)C2[C@H]3[C@@H]2CCCC3)cc([N+](=O)[O-])cc1	PC-id_5404061	321.759	HQRKGHHCRAFOST-ONXXMXGDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128530
O=C(C1C2C1CCCC2)N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]	SPECS-id_AT-084/J155640,EMOLS-id_1229831,TIMTEC199598,BAS-00484760,PC-id_5331512,SPECS-id_AN-153/I113237,SPECS-id_AG-690/36933006	321.759	HQRKGHHCRAFOST-CAOOACKPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128531
O=C(C1[C@H]2[C@H]1CCCC2)N/N=Cc1cc(ccc1Cl)[N+](=O)[O-]	PC-id_98043050	321.759	HQRKGHHCRAFOST-WQMPTCCOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128532
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N/N=Cc1cc(ccc1Cl)[N+](=O)[O-]	CoCoCo_80275	321.759	HQRKGHHCRAFOST-KFVJOSJDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128533
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]	CoCoCo_80276	321.759	HQRKGHHCRAFOST-QEFZTZRTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128534
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)N/N=Cc1cc(ccc1Cl)[N+](=O)[O-]	CoCoCo_80277	321.759	HQRKGHHCRAFOST-UHPKPPIGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128535
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]	CoCoCo_80278	321.759	HQRKGHHCRAFOST-AXYDWPMFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128536
CC12CC(CC1C2O)Nc1c(c(nc(n1)N)Cl)c1ncco1	PC-id_91516565	321.762	HKARFPMKOAUMLY-UHFFFAOYSA-N	00100010100010100001110000000000000000000000000000000000	22-01-128537
Fc1cccc(c1c1onc(n1)CNC1CCCC2C1C2)Cl	EMOLS-id_318275606,MCULE-9363211986	321.777	NZVODKCKPRCWPL-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-128538
CCC(c1ccc(cc1)Cl)(C(=O)O)NC(=O)C1C2C1CCC2	PC-id_120977748,MCULE-9285480078,EMOLS-id_71894088	321.799	SETPCNXANWGFRQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128539
O=C(C1C2C1CCCC2)N(Cc1ccc(cc1)Cl)CC(=O)O	PC-id_119193671	321.799	ZOZXVUXNROJQOD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128540
O=C(C1C2C1CCCC2)N[C@H](c1ccc(cc1)Cl)CC(=O)O	PC-id_120211146	321.799	PSVMTSPHMCRDSH-JNJRBNHSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128541
CC(=O)Nc1ccc(c(c1)NC(=O)N1CC2C(C1)C2(C)C)Cl	EMOLS-id_111852775	321.802	IGZFHYYOMZVSIY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128542
CNC(=O)c1ccc(cc1Cl)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111852658	321.802	SOTSVNCRJSKHRS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128543
O=C([C@@]12COC[C@@H]1C2)N1CCC(CC1)Nc1ccncc1Cl	EMOLS-id_319553327	321.802	WGDHIFAFCBREOQ-ZBEGNZNMSA-N	00100010000010101000010000000000000000000000000000000000	22-01-128544
O=C([C@@H]1[C@@H]2[C@H]1COC2)N1CCC(CC1)Nc1ccncc1Cl	EMOLS-id_320184987,MCULE-8812133438	321.802	WRLWURBXCGTXSZ-JYAVWHMHSA-N	00100010000010101000010000000000000000000000000000000000	22-01-128545
O=C(N[C@H]1[C@@H]2CNC[C@H]12)N1CCO[C@@H](c2ccc(Cl)cc2)C1	EMOLS-id_102086273,MCULE-9692238182,ZINC22_333846385	321.802	PFAUBNJNQDHFGX-BARDWOONSA-N	00100010000010110001110000000000000000000000000000000000	22-01-128546
O=C(C1C2C1CCC2)Nc1ccnn1Cc1ccc(s1)Cl	EMOLS-id_318600176	321.825	AHEPZPBCXNOQLD-UHFFFAOYSA-N	00100010100110000001010000000000000000000000000000000000	22-01-128547
C1C(CC2C1C2)CN(CCCC(=O)O)Cc1ccccc1Cl	EMOLS-id_317058327,MCULE-1612394623,PC-id_136573243	321.842	ZIETUMJTVMKCMD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128548
C1C(CC2C1C2)CN(CCCC(=O)O)Cc1cc(ccc1)Cl	MCULE-1080469621,EMOLS-id_317057814,PC-id_136573221	321.842	BLFCUDSLZDPKPF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128549
C1C(CC2C1C2)CN(CCCC(=O)O)Cc1ccc(cc1)Cl	MCULE-8765248902,PC-id_136573238,EMOLS-id_317057303	321.842	ZPISJPKBAINONX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128550
O=C(O)CCCN(Cc1ccccc1Cl)CC1C[C@H]2C[C@@H]2C1	ZINC22_1616036660	321.842	ZIETUMJTVMKCMD-HOTGVXAUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128551
O=C(O)CCCN(Cc1ccccc1Cl)CC1C[C@@H]2C[C@H]2C1	ZINC22_1616036661	321.842	ZIETUMJTVMKCMD-HZPDHXFCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128552
O=C(O)CCCN(Cc1ccccc1Cl)C[C@H]1C[C@@H]2C[C@@H]2C1	ZINC22_1616036662	321.842	ZIETUMJTVMKCMD-RBVVOMGSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128553
O=C(O)CCCN(Cc1cccc(Cl)c1)CC1C[C@H]2C[C@@H]2C1	ZINC22_1616035654	321.842	BLFCUDSLZDPKPF-HOTGVXAUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128554
O=C(O)CCCN(Cc1cccc(Cl)c1)CC1C[C@@H]2C[C@H]2C1	ZINC22_1616035656	321.842	BLFCUDSLZDPKPF-HZPDHXFCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128555
O=C(O)CCCN(Cc1cccc(Cl)c1)C[C@H]1C[C@@H]2C[C@@H]2C1	ZINC22_1616035658	321.842	BLFCUDSLZDPKPF-MUJYYYPQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128556
O=C(O)CCCN(Cc1ccc(Cl)cc1)CC1C[C@H]2C[C@@H]2C1	ZINC22_1615554975	321.842	ZPISJPKBAINONX-HOTGVXAUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128557
O=C(O)CCCN(Cc1ccc(Cl)cc1)CC1C[C@@H]2C[C@H]2C1	ZINC22_1615554977	321.842	ZPISJPKBAINONX-HZPDHXFCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128558
O=C(O)CCCN(Cc1ccc(Cl)cc1)C[C@H]1C[C@@H]2C[C@@H]2C1	ZINC22_1615554978	321.842	ZPISJPKBAINONX-MUJYYYPQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128559
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1cc(c(s1)Cl)C	EMOLS-id_320121753,MCULE-6246477709	321.843	RUVUBNQPCGFNAC-BXKDBHETSA-N	00100000100110000000010000000000000000000000000000000000	22-01-128560
CC1C2C([I-]2)C[I-]1	PC-id_148884587	321.873	YYKXPVJHBLLOFU-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128561
CC1(C2(C1(C(N(C2)Cl)C(O)[Si](C)(C)C(C)(C)C)O)O)C	PC-id_88251907	321.916	LBPMKPXTGXQTHG-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128562
ClN1C[C@@]2([C@]([C@H]1C([Si](C(C)(C)C)(C)C)O)(C2(C)C)O)O	SCHEMBL8123148	321.916	LBPMKPXTGXQTHG-HBUSVSKJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128563
BrC1(Br)C2(C1CC(CC2=O)C(=C)C)C	PC-id_12406054	322.036	HWHRSCPLCRZFHW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128564
C/C=C/C(CN)N1CCC(C2C1C2)OI	PC-id_154986367	322.054	INIIRFVCEVVQTH-NSCUHMNNSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128565
Cc1c2-c1cc(c2)S(=N)(=O)OCCn1c(ncc1[N+](=O)[O-])C	PC-id_164017814	322.074	UWUMHVFJCFEIBQ-UHFFFAOYSA-N	00110010100000100001010000000000000000000000000000000000	22-01-128566
C1C2=C1C(=C(C=C2)C(=CC(=O)C=C(C3=C(C4=C(C4)C=C3)O)O)O)O	PC-id_153821532	322.084	NSYJOXNZQVMWQV-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-128567
C1C2C1(CN(C2)C(=O)C3=CN(N=N3)C4=CC=CC=C4)C(F)(F)F	PC-id_154793688	322.104	KCWAVNDNQLECFX-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128568
C1CCN(C1)C2=NC=C(C(=N2)C(=O)NCC3C4C3COC4)Cl	PC-id_154794352	322.12	SMEJWGVKXQXQKC-UHFFFAOYSA-N	00100010000000100001110000000000000000000000000000000000	22-01-128569
Brc1cnc(c(c1)C(F)(F)F)NC1C2C1CNC2	PC-id_113877922	322.124	GMQBIMYZOWBMPF-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-128570
CC1C(=O)C2C(C2(C)C)C1(C)OS(=O)(=O)C3=CC=C(C=C3)C	PC-id_154302648	322.124	NJENJKWKNFTYFC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128571
C[C@@H](C1=CC=C(C=C1)C(F)(F)F)N2C[C@@H]3[C@H](C2)C3NC(=O)C#C	PC-id_164596014	322.129	YXFWFOLJFNPURH-HRWLTALASA-N	00100010000000110000010000000000000000000000000000000000	22-01-128572
O=C(OCc1c(Cl)cncc1Cl)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	ZINC22_2325780662	322.135	GDMWBJCFMWGTLW-VJKWBMGZSA-N	00100010000010101000010000000000000000000000000000000000	22-01-128573
CCCCCC[SiH2]C=C(C1=C2C(=CC=C1)O2)C3=C4C(=CC=C3)O4	PC-id_153706665	322.139	OZMSPBAUPXGTFE-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-128574
CC(C)(C)OC(=O)N1CC2C(C1=O)C2(C(=O)Cl)C(=O)Cl	SCHEMBL3728450,PC-id_87565294	322.141	BVVMXPCOWBKGKX-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128575
C1CC2C(O2)CC1CC(CC3CCC4C(C3)O4)(C(=O)[O-])C(=O)[O-]	PC-id_153682645	322.143	YZLYANFUIYPBNT-UHFFFAOYSA-L	00100000000010000000010000000000000000000000000000000000	22-01-128576
C1[C@@H]2[C@@H](C2C(=O)N[C@@H]3COC[C@@H]3NC(=O)C4[C@H]5[C@@H]4COC5)CO1	PC-id_154784570	322.153	VDNWIXVTKSHKKS-GDZMQOBESA-N	00100010000000000000010000000000000000000000000000000000	22-01-128577
C/C/1=C/CC[C@@]2([C@@H]([C@@H]2COC(=O)ON3C(=O)CCC3=O)CC1)N	PC-id_154937453	322.153	HLOKKAMZFJUOKM-WYVDMENSSA-N	00100010000000000110010000000000000000000000000000000000	22-01-128578
CC(C)(C)OC(=O)N1CC[C@@H](C1)OC2=CC=C(C3C2C3)[N+](=O)[O-]	PC-id_147577163	322.153	FVRWQJOPVFBEFL-UNXYVOJBSA-N	00100010000011000000010000000000000000000000000000000000	22-01-128579
C1C2C1(C(OC=C2)COCc1ccccc1)OCc1ccccc1	PC-id_164147731	322.157	ZBXCNAMQBNYSKG-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-128580
Cn1nnc(c1S(=O)(=O)NC1C2C1CNC2)Br	PC-id_106466956	322.182	VGRJRMORHAECCY-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-128581
CC(=O)OC1(C)CC2C(CC1I)C2(C)C	PC-id_102375217	322.183	PRFSJIKDZUCZPY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128582
IC12C(C1)C(=O)OC2CCCCCCC	PC-id_73001657	322.183	JOLNULLDFAQZTA-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128583
I[C@@]12[C@@H](C1)C(=O)O[C@H]2CCCCCCC	PC-id_11544301	322.183	JOLNULLDFAQZTA-JBLDHEPKSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128584
COC(=O)N(CCCCC(C(=O)O)N)C1C2C1CCC#CCC2	PC-id_155058177	322.189	ZKEJBOUMSJCXSD-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-128585
Brc1ccc(C(N2C(=O)C3C(C3C2=O)(C)C)C)cc1	PC-id_64687144	322.197	PKYRTSZRNIUOSX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128586
Brc1cc(C(N2C(=O)C3C(C3C2=O)(C)C)C)ccc1	PC-id_64688754	322.197	PXUPWUYMPDGRSY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128587
O=C(C1C2C1CCC2)N1CC(C1)c1ncc(cn1)Br	EMOLS-id_319314285	322.2	XSIPSXFEVGJHFJ-UHFFFAOYSA-N	00101010000010100001110000000000000000000000000000000000	22-01-128588
O=C(C1CC2C(N1)C2)Nc1nc(Br)ccc1C1CC1	PC-id_140776836	322.2	UWXKDNYWIWSBJY-UHFFFAOYSA-N	00100010000000101000110000000000000000000000000000000000	22-01-128589
O=C(C1NCC2C1C2)Nc1nc(Br)ccc1C1CC1	PC-id_140776736	322.2	CGMNPAWSFUZVDQ-UHFFFAOYSA-N	00100010000000101000110000000000000000000000000000000000	22-01-128590
O=C(c1nc(ncc1Br)C1CC1)NC1CC2C(C1)C2	MCULE-2011280178,EMOLS-id_102150132	322.2	WNOZIJXUOOCYRO-UHFFFAOYSA-N	00100010000010100001110000000000000000000000000000000000	22-01-128591
O=C([C@@H]1CC2C(N1)C2)Nc1nc(Br)ccc1C1CC1	SCHEMBL18591405	322.2	UWXKDNYWIWSBJY-RFBVYIQQSA-N	00100010000000101000110000000000000000000000000000000000	22-01-128592
O=C([C@@H]1C[C@H]2[C@@H](C1)C2)N1CC(C1)c1ncc(cn1)Br	EMOLS-id_319075406	322.2	RSFJMNGIWCWEJE-MYJAWHEDSA-N	00101010000010100001110000000000000000000000000000000000	22-01-128593
O=C([C@@H]1C[C@@H]2[C@H](N1)C2)Nc1nc(Br)ccc1C1CC1	SCHEMBL18578580	322.2	UWXKDNYWIWSBJY-IEBDPFPHSA-N	00100010000000101000110000000000000000000000000000000000	22-01-128594
O=C([C@H]1NC[C@@H]2[C@H]1C2)Nc1nc(Br)ccc1C1CC1	SCHEMBL18561488	322.2	CGMNPAWSFUZVDQ-UISBYWKRSA-N	00100010000000101000110000000000000000000000000000000000	22-01-128595
O=C(NC1C[C@H]2C[C@@H]2C1)c1nc(C2CC2)ncc1Br	ZINC22_333635940	322.2	WNOZIJXUOOCYRO-RKDXNWHRSA-N	00100010000010100001110000000000000000000000000000000000	22-01-128597
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1nc(C2CC2)ncc1Br	ZINC22_333635936	322.2	WNOZIJXUOOCYRO-ILWJIGKKSA-N	00100010000010100001110000000000000000000000000000000000	22-01-128598
C[C@@H](CC(F)(F)F)C1(C2C1(CCC(CC2)C(C)C)C)C(O)O	PC-id_148097835	322.212	JOVHWSDHYWGVAL-ZTYUUUQVSA-N	00100000000000000100010000000000000000000000000000000000	22-01-128599
CCCC1(CCCC2C1O2)C(=O)OC3(CCCC4C3O4)CCC	PC-id_153844504	322.214	LFJIYJFNJGURCK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128600
CN1C2C(N2)NC(C1=O)(CC1CCCCC1)CN1CCOCC1	PC-id_163845647	322.237	OPXHBWCOSOYWAH-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-128601
Brc1ccc(c(c1)C)NC(=O)C1(C)C2C1CCCC2	PC-id_59414666,SCHEMBL13240193	322.24	ZXYVBFJTFZYGCA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128602
Brc1ccc(CC(NC(=O)C2CC3C(C3)C2)C)cc1	PC-id_80471451	322.24	ZTBWVLIJVSFGKT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128603
Brc1ccc(CN(C(=O)C2C3C2CCCC3)C)cc1	PC-id_79139827	322.24	MNXMPKKQVMHCNN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128604
Brc1ccc(C(NC(=O)C2C3C2CCCC3)C)cc1	PC-id_79140291	322.24	BIHSYYLNAWATDO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128605
Brc1ccc(C(NC(=O)C2CC3C(C3)C2)CC)cc1	PC-id_80471242	322.24	KUHKBVRQQAVFKA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128606
Brc1ccc(C(NC(=O)C2CC3C(C3)C2)(C)C)cc1	PC-id_80471510	322.24	SHSBNPPKTXMSBG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128607
Brc1cc(c(NC(=O)C2C3C2CCCC3)c(c1)C)C	PC-id_79885997	322.24	SEHBMPPGZFLKQI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128608
Brc1cc(c(NC(=O)C2C3C2CCCC3)cc1)CC	PC-id_81003636	322.24	GQBFOPJODABBCM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128609
Brc1cc(C(NC(=O)C2C3C2CCCC3)C)ccc1	PC-id_79139222	322.24	HSMLBSVHFCAZGN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128610
Brc1cc(CN(C(=O)C2C3C2CCCC3)C)ccc1	PC-id_79172803	322.24	ZNKHHXMHODPLBG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128611
Brc1c(C(NC(=O)C2C3C2CCC3)CC)cccc1	MCULE-9667179793,EMOLS-id_48794197,PC-id_75427156	322.24	LOYGNZRXGUBQLO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128612
Brc1c(CN(C(=O)C2C3C2CCCC3)C)cccc1	PC-id_79139622	322.24	LOQNQPNCYDEZFD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128613
Brc1c(NC(=O)C2C3C2CCCC3)c(cc(c1)C)C	PC-id_81573927	322.24	KIVTUIMWMZHWEW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128614
BrCc1ccc(cc1)CNC(=O)C1C2C1CCCC2	PC-id_107233841	322.24	DQBIHVPIOHAGOJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128615
BrC(c1ccccc1)CNC(=O)C1C2C1CCCC2	PC-id_113274141	322.24	NOCYFFLBJGBXAV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128616
BrCc1cccc(c1)CNC(=O)C1C2C1CCCC2	PC-id_114313014	322.24	RFXJIIBDVOGZRW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128617
BrCC(c1ccccc1)(NC(=O)C1C2C1CCC2)C	PC-id_105060174	322.24	DDFDFHKHYRZDAF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128618
BrCCc1ccc(cc1)NC(=O)C1C2C1CCCC2	PC-id_114310208	322.24	KQXSLOYZZKQFHS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128619
BrCC(c1ccccc1)NC(=O)C1C2C1CCCC2	PC-id_114311043	322.24	VDBQONFTLSJLNX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128620
BrCC(c1ccccc1)(NC(=O)C1CC2C(C1)C2)C	PC-id_105059952	322.24	UJJUGQFFMMLDGC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128621
BrCCCc1cccc(c1)NC(=O)C1C2C1CCC2	PC-id_104307421	322.24	YBGIPXZDEPMIKP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128622
BrCC(Cc1ccccc1)NC(=O)C1C2C1CCC2	PC-id_114311263	322.24	ZVSZCMHIDKURJD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128623
BrCCCc1cccc(c1)NC(=O)C1CC2C(C1)C2	PC-id_104307582	322.24	KDXLXVZBABTIJI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128624
BrCC(Cc1ccccc1)NC(=O)C1CC2C(C1)C2	PC-id_113274811	322.24	RRCRWBIQMKKCCS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128625
BrCCN(C(=O)C1C2C1CCC2)Cc1ccccc1	PC-id_81636603	322.24	BKUANOGFBAGWCP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128626
BrCCN(C(=O)C1CC2C(C2)C1)Cc1ccccc1	PC-id_80662852	322.24	IHAASHBZJMTINM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128627
CC[C@@H](c1ccccc1Br)NC(=O)C1[C@@H]2[C@H]1CCC2	PC-id_97321377	322.24	LOYGNZRXGUBQLO-QIBUSXHKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128628
CC[C@H](c1ccccc1Br)NC(=O)C1[C@@H]2[C@H]1CCC2	PC-id_97321378	322.24	LOYGNZRXGUBQLO-JLPXBYMMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128629
CC[C@H](NC(=O)C1[C@H]2CCC[C@H]12)c1ccccc1Br	ZINC22_101665435,PC-id_98230237	322.24	LOYGNZRXGUBQLO-MJVIPROJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128630
CC[C@H](NC(=O)C1[C@@H]2CCC[C@@H]12)c1ccccc1Br	ZINC22_230169774,PC-id_100901334	322.24	LOYGNZRXGUBQLO-GYSYKLTISA-N	00100010000010110000010000000000000000000000000000000000	22-01-128631
CC[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@@H]12)c1ccccc1Br	ZINC22_252512027	322.24	LOYGNZRXGUBQLO-BVIHXZOGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128632
CC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@@H]12)c1ccccc1Br	ZINC22_252512028	322.24	LOYGNZRXGUBQLO-IDTSFGKNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128633
O=C(C1C2C1CCCC2)Nc1ccccc1C(Br)C	PC-id_113275867	322.24	HCMUSVVKYHMZFZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128634
O=C(C1C2C1CCCC2)Nc1cc(C)c(c(c1)C)Br	PC-id_113976592	322.24	DMCACZOHNNPETI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128635
CCCCCC=COC(=O)CCCCCCC1C2CC2CC1O	PC-id_154365299	322.251	RKJPHOPKLYKWJP-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128636
S(=O)(=O)(OC1C2(O)C(C2(O)C(OC1)O)(C)C)C(F)(F)F	PC-id_76443361	322.256	WBLCHQSIGZOLDS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128637
S(=O)(=O)(O[C@H]1[C@@]2(O)C([C@@]2(O)[C@H](OC1)O)(C)C)C(F)(F)F	PC-id_57013228	322.256	WBLCHQSIGZOLDS-ROHCDXGRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128638
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)[C@@H]1OCCO[C@@H]1C(F)(F)F	EMOLS-id_320243642,MCULE-3958506530	322.28	CGXOSRMAVZXKGO-XBWDGYHZSA-N	00100000000010000001010000000000000000000000000000000000	22-01-128639
O=C(c1ocnc1c1ccccc1)N1CC2C(C1)(C2)C(F)(F)F	PC-id_139013545,MCULE-1289054057,EMOLS-id_320390746	322.282	MBNFWMWDMGQLRB-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128640
O=C(c1ocnc1c1ccccc1)N1C[C@H]2C[C@]2(C(F)(F)F)C1	ZINC22_1776002682	322.282	MBNFWMWDMGQLRB-ABAIWWIYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128641
O=C(c1ocnc1c1ccccc1)N1C[C@H]2C[C@@]2(C(F)(F)F)C1	ZINC22_1776002683	322.282	MBNFWMWDMGQLRB-IAQYHMDHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128642
O=C(c1ocnc1c1ccccc1)N1C[C@@H]2C[C@]2(C(F)(F)F)C1	ZINC22_1776002684	322.282	MBNFWMWDMGQLRB-NHYWBVRUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128643
O=C(c1ocnc1c1ccccc1)N1C[C@@H]2C[C@@]2(C(F)(F)F)C1	ZINC22_1776002685	322.282	MBNFWMWDMGQLRB-XHDPSFHLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128644
Brc1c(CC2(CC3C(C3)C2)CNCCC)cccc1	PC-id_80469759	322.283	VJHZZDBVEYWIAG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128645
Brc1c(CC2(CC3C(C3)C2)CNC(C)C)cccc1	PC-id_80470923	322.283	UESCQDCCCAXBEM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128646
Brc1cc(CC2(CC3C(C3)C2)CNC(C)C)ccc1	PC-id_80471074	322.283	MQKGIGILNRBJCI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128647
Brc1cc(CC2(CC3C(C3)C2)CNCCC)ccc1	PC-id_80471104	322.283	CZEHHHKUXPXUST-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128648
Brc1ccc(CC2(CC3C(C3)C2)CNC(C)C)cc1	PC-id_80470947	322.283	BCHBMUYFGWEFAC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128649
Brc1ccc(CC2(CC3C(C3)C2)CNCCC)cc1	PC-id_80470957	322.283	UXTOCYVGGGGFME-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128650
Brc1ccc(CC(NCC)C2C3C2CCCC3)cc1	PC-id_81631285	322.283	HQFWNKCWJQHJLL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128651
Brc1ccc(CC(NCCC)C2C3C2CCC3)cc1	PC-id_81630233	322.283	BQBSJENMGUWSEI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128652
Brc1ccc(CC(NCCC)C2CC3C(C3)C2)cc1	PC-id_80467752	322.283	SDVDSMIKLXVATP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128653
Brc1c(cc(C(NC)C2C3C2CCCC3)c(c1)C)C	PC-id_81630835	322.283	XPWXUWSHZFQLHW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128654
Brc1c(cc(C(NCC)C2C3C2CCC3)c(c1)C)C	PC-id_81630932	322.283	HOWKCJDVAWNHHD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128655
Brc1cc(CC(NCC)C2C3C2CCCC3)ccc1	PC-id_81631291	322.283	RBUVTVLVDONLDH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128656
Brc1c(cc(C(NCC)C2CC3C(C3)C2)c(c1)C)C	PC-id_80468649	322.283	KLDUIMGOSHPHLK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128657
Brc1cc(CC(NCCC)C2C3C2CCC3)ccc1	PC-id_81631393	322.283	MHNLDDUQHOVTSA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128658
Brc1ccc(C(NCCC)C2C3C2CCCC3)cc1	PC-id_81625224	322.283	FCDGSAOUAIOSPE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128659
Brc1cc(CC(NCCC)C2CC3C(C3)C2)ccc1	PC-id_80467614	322.283	YBIPUUWFOIABPD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128660
CCCC1CCCC2C1C2NCc1cccc(c1)Br	SCHEMBL19258299	322.283	DNPYNDBLKDEYLS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128661
CCCNC(C1C2C1CCC2)Cc1ccccc1Br	PC-id_115786997	322.283	LHWWYGFRPFLIGK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128662
CCCNC(C1CC2C(C1)C2)Cc1ccccc1Br	PC-id_115786854	322.283	NPLAYDFVSYSRFZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128663
CCNC(C1C2C1CCCC2)Cc1ccccc1Br	PC-id_115786822	322.283	XXHILTSFNDNPOX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128664
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)NC(=O)c1ccccc1F	SCHEMBL6789996,PC-id_91181538	322.288	WBRWZHFWROBDAS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128665
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)NC(=O)c1cc(ccc1)F	SCHEMBL6794912,PC-id_91004751	322.288	LLQUXMYKDFUCSC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128666
Fc1ccc(cc1)C(=O)NC1CC(C2C1C2C(=O)O)(N)C(=O)O	PC-id_69899511,SCHEMBL6799886	322.288	YLOYRSFMNLQTKN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128667
Fc1cccc(c1)C(=O)N[C@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O	PC-id_60096190,BindingDB_PC-id_60096190	322.288	LLQUXMYKDFUCSC-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-128668
Fc1ccc(cc1)C(=O)N[C@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O	PC-id_60096204,BindingDB_PC-id_60096204	322.288	YLOYRSFMNLQTKN-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-128669
Fc1c(C(=O)N[C@@H]2[C@@H]3[C@@H]([C@H]3C(=O)O)[C@@](N)(C2)C(=O)O)cccc1	BindingDB_PC-id_60096236,PC-id_60096236	322.288	WBRWZHFWROBDAS-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-128670
OC[C@@H](C(=O)N[C@]1(CS(=O)(=O)[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)O)N	SCHEMBL8351150,PC-id_59712949	322.292	UTPSRACRLVHJHU-SPFUEBLVSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128671
S1(=O)(=O)C2C(C2C(=O)O)C(NC(=O)C(N)CO)(C1)C(=O)O	PC-id_72365646	322.292	UTPSRACRLVHJHU-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-128672
FC(Oc1ccc(cc1)S(=O)(=O)N[C@@H]1[C@@H]2[C@H]1CNC2)(F)F	EMOLS-id_316876184	322.303	QAAGGWJKVVAFLJ-URLYPYJESA-N	00100010000000110000010000000000000000000000000000000000	22-01-128673
OC[C@@H]1[C@@H]2[C@H]1CN(C2)S(=O)(=O)c1cncc(c1)C(F)(F)F	EMOLS-id_320328718,MCULE-2706173968	322.303	UVZHNHLQLWAWCB-URLYPYJESA-N	00100010000000101000010000000000000000000000000000000000	22-01-128674
S(=O)(=O)(NC1C2C1CNC2)c1ccc(OC(F)(F)F)cc1	PC-id_43597350	322.303	QAAGGWJKVVAFLJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128675
S(=O)(=O)(NC1C2C1CNC2)c1cc(OC(F)(F)F)ccc1	PC-id_43597402	322.303	XCUMTFOTGIOSBK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128676
S(=O)(=O)(NC1C2C1CNC2)c1c(OC(F)(F)F)cccc1	PC-id_43597382	322.303	AKQDULVTWKSOEK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128677
C1[C@H]2[C@@H]1N([C@@H](C2)C(=O)NC1CC1c1c(cc(cc1)F)F)C(=O)O	PC-id_135373887,SCHEMBL20554577	322.307	GLEQQIRJDATESX-PXOLLZSQSA-N	00100010000000110000110000000000000000000000000000000000	22-01-128678
C=CC(=O)Nc1ccc(c(c1)C(=O)NC1CC2C(C1)C2(F)F)O	EMOLS-id_319502779	322.307	WISILIDANWCDLF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128679
CO[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]2[C@H]1O2)O	PC-id_102341859	322.308	FMANLDGGNWTFRG-MQJLGGIWSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128680
CO[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@H]2[C@@H]1O2)O	PC-id_102341860	322.308	FMANLDGGNWTFRG-LZOFPSKKSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128681
CO[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]2[C@H]1O2)O	PC-id_102341862	322.308	FMANLDGGNWTFRG-IRHJOUCTSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128682
OC[C@H]1O[C@@H](CC(C1O)O)O[C@@]1(C)OC(CO)C2C(C1O)O2	PC-id_145684440	322.308	LGLJFDVOXMJJIU-MRHSRSMBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128683
O=C1C=CC2C(N1CCOCCOCCN1C(=O)C=CC1=O)O2	PC-id_143747947	322.313	ZMSHWGDFFLJTAO-UHFFFAOYSA-N	00100011000011000000010000000000000000000000000000000000	22-01-128684
[C@@]12(CN(C[C@]1(C2)C(=O)O)CC(=O)Nc1cn(nc1C)C)C(=O)O	EMOLS-id_317365607,ZINC22_1704311090,MCULE-6586215526,PC-id_135095690	322.317	XTHJUTLMDIGJKY-OKILXGFUSA-N	00100010100000000001010000000000000000000000000000000000	22-01-128685
O=S(=O)(C(F)(F)F)O[C@@H]1C[C@H]2[N+](C1)(C2)Cc1ccccc1	SCHEMBL21403831,PC-id_139529889	322.323	TYNOKHJJAZXPAL-JUCUUEBMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128686
CCOC(=O)C1C2C1(F)C(C(C2)O)C(=O)OCc1ccccc1	PC-id_141104366	322.328	ZYOSGGQMQJOEQM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128687
CNC1C([C@H]2C[C@@H]2OC1OC1C(C(C(C(O1)CF)N)O)O)O	SCHEMBL20440845,PC-id_135276690	322.33	RYJCYENZRYOLOX-HFBPESDDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128688
O=C(c1csc(n1)Nc1ccccn1)N1CC2C(C1)C2(F)F	EMOLS-id_318701004,MCULE-9895269404	322.333	XMWUJFUHEIZXIE-UHFFFAOYSA-N	00100010100000101001010000000000000000000000000000000000	22-01-128689
O=C(c1ncsc1Nc1cccnc1)N1CC2C(C1)C2(F)F	MCULE-8004733470,EMOLS-id_318407629	322.333	QSZIPOGTUQYRBC-UHFFFAOYSA-N	00100010100000101001010000000000000000000000000000000000	22-01-128690
[O-]C(=O)C1N(CC2C1C2)C(=O)c1ccc(Oc2ccccc2)cc1	PC-id_73132116	322.335	BZYPJYMCKWWCSL-UHFFFAOYSA-M	00100010000000110000010000000000000000000000000000000000	22-01-128691
[O-]C(=O)[C@@H]1N(C[C@H]2[C@@H]1C2)C(=O)c1ccc(Oc2ccccc2)cc1	PC-id_11877932	322.335	BZYPJYMCKWWCSL-RRQGHBQHSA-M	00100010000000110000010000000000000000000000000000000000	22-01-128692
[O-]C(=O)[C@@H]1N(C[C@@H]2[C@H]1C2)C(=O)c1ccc(Oc2ccccc2)cc1	PC-id_11877934	322.335	BZYPJYMCKWWCSL-KBRIMQKVSA-M	00100010000000110000010000000000000000000000000000000000	22-01-128693
[O-]C(=O)[C@H]1N(C[C@@H]2[C@H]1C2)C(=O)c1ccc(Oc2ccccc2)cc1	PC-id_25765428	322.335	BZYPJYMCKWWCSL-XYPHTWIQSA-M	00100010000000110000010000000000000000000000000000000000	22-01-128694
OC1C2CC2(C(C1(C)OC(=O)c1ccccc1)C)P(=O)(C)C	SCHEMBL12151619,PC-id_58521232	322.336	KNDANAKJHKRPJV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128695
C1C2C1C(NCC2NOS(=O)(=O)O)C(=O)NOC1CC1N	PC-id_90446181	322.338	ZSKRKKVLKDWIKZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128696
O=C([C@H]1NC[C@@H](C2C1C2)NOS(=O)(=O)O)NOC1CC1N	SCHEMBL16082318	322.338	ZSKRKKVLKDWIKZ-JWYGXUOLSA-N	00100000000010000000010000000000000000000000000000000000	22-01-128697
C1CC1c1c(cc(c(c1)C(=O)O)F)OCC12CCC(CC1C2)F	PC-id_86703726,SCHEMBL15536783	322.346	RLIVEVLZIOCIDT-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-128698
FC1CCC2(C(C1)C2)C(C1CC1)Oc1ccc(c(c1)F)C(=O)O	PC-id_141398476	322.346	SLRDVMWPUIUJGP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128699
Fc1ccc(c(c1)F)C(CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	EMOLS-id_319666730	322.35	VMUVDNNPQNORLQ-PMGWOUJKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128700
O=C(C1[C@@H]2[C@H]1COC2)N1CCCN(CC1)c1cccc(c1F)F	PC-id_139020731	322.35	PHHWJFFTRWECDS-ODOQXGPZSA-N	00100010000000110101110000000000000000000000000000000000	22-01-128701
O=C([C@@H]1[C@H]2COC[C@@H]12)N1CCCN(c2cccc(F)c2F)CC1	EMOLS-id_320371302,ZINC22_615654206,MCULE-5336220700	322.35	PHHWJFFTRWECDS-JYAVWHMHSA-N	00100010000000110101110000000000000000000000000000000000	22-01-128702
O=C(c1ccsc1S(=O)(=O)N)NC1CC2C(C1)C2(F)F	EMOLS-id_319612780	322.351	PDDGHILXGUOPJN-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-128703
FC(C12CN(CC1C2)C(=O)c1cnc(nc1N)C1CCCC1)F	PC-id_139021963,MCULE-5387801329,EMOLS-id_320341885	322.353	HBKKNSKXHKZNGT-UHFFFAOYSA-N	00100010000000100001110000000000000000000000000000000000	22-01-128704
FC(C12CN(CC1C2)C(=O)c1ncnc(c1)N1CCCCC1)F	PC-id_139021961,EMOLS-id_320341373,MCULE-7703389972	322.353	NKKLWYOEDUCQNH-UHFFFAOYSA-N	00100010000010100001110000000000000000000000000000000000	22-01-128705
Nc1nc(C2CCCC2)ncc1C(=O)N1C[C@H]2C[C@]2(C(F)F)C1	ZINC22_1776008160	322.353	HBKKNSKXHKZNGT-HWPZZCPQSA-N	00100010000000100001110000000000000000000000000000000000	22-01-128706
Nc1nc(C2CCCC2)ncc1C(=O)N1C[C@@H]2C[C@@]2(C(F)F)C1	ZINC22_1776008161	322.353	HBKKNSKXHKZNGT-MGPLVRAMSA-N	00100010000000100001110000000000000000000000000000000000	22-01-128707
Nc1nc(C2CCCC2)ncc1C(=O)N1C[C@@H]2C[C@]2(C(F)F)C1	ZINC22_1776008162	322.353	HBKKNSKXHKZNGT-QFYYESIMSA-N	00100010000000100001110000000000000000000000000000000000	22-01-128708
Nc1nc(C2CCCC2)ncc1C(=O)N1C[C@H]2C[C@@]2(C(F)F)C1	ZINC22_1776008163	322.353	HBKKNSKXHKZNGT-QLJPJBMISA-N	00100010000000100001110000000000000000000000000000000000	22-01-128709
O1C2C1CCC(C(CC1(CC3OC3CC1)C(=O)[O-])C)(C2)C(=O)[O-]	PC-id_23120456	322.353	ZXDHYIOANFVTLU-UHFFFAOYSA-L	00100000000010000000010000000000000000000000000000000000	22-01-128710
O1C2(C1C(OCc1ccc(OC)cc1)C(O)C2OCC=C)CO	PC-id_72829599	322.353	WOMRRBMYSJDKQP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128711
O1[C@]2([C@@H]1[C@H](OCc1ccc(OC)cc1)[C@@H](O)[C@@H]2OCC=C)CO	PC-id_11393095	322.353	WOMRRBMYSJDKQP-UHDSXZAQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128712
O=C(c1cc(N2CCCCC2)ncn1)N1C[C@H]2C[C@@]2(C(F)F)C1	ZINC22_1776008190	322.353	NKKLWYOEDUCQNH-BDJLRTHQSA-N	00100010000010100001110000000000000000000000000000000000	22-01-128713
O=C(c1cc(N2CCCCC2)ncn1)N1C[C@H]2C[C@]2(C(F)F)C1	ZINC22_1776008191	322.353	NKKLWYOEDUCQNH-BZNIZROVSA-N	00100010000010100001110000000000000000000000000000000000	22-01-128714
O=C(c1cc(N2CCCCC2)ncn1)N1C[C@@H]2C[C@@]2(C(F)F)C1	ZINC22_1776008192	322.353	NKKLWYOEDUCQNH-MEDUHNTESA-N	00100010000010100001110000000000000000000000000000000000	22-01-128715
O=C(c1cc(N2CCCCC2)ncn1)N1C[C@@H]2C[C@]2(C(F)F)C1	ZINC22_1776008193	322.353	NKKLWYOEDUCQNH-ZBEGNZNMSA-N	00100010000010100001110000000000000000000000000000000000	22-01-128716
O=C(N1CC(C1)c1ccnc(n1)N)CC12CCCCC1C2(F)F	EMOLS-id_320003204,MCULE-6457438573	322.353	GCRCERZQUQSRLD-UHFFFAOYSA-N	00101000000010100001110000000000000000000000000000000000	22-01-128717
N#CCS(=O)(=O)c1ccc(c(c1)C(=O)N1CCC2C(C1)C2)F	EMOLS-id_319089014	322.355	RNSDYHRWYDWGAL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128718
N#CCS(=O)(=O)c1ccc(c(c1)C(=O)NC1CC2C(C1)C2)F	EMOLS-id_319215966	322.355	LVTHZSYYWFSCNN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-128719
O1C[C@@]2([C@@](C2)(C1=O)C(=O)c1ccccc1)COCc1ccccc1	PC-id_42624935	322.355	DIPCGPWYVULIKL-VQTJNVASSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128720
O1CC2(C(C2)(C1=O)C(=O)c1ccccc1)COCc1ccccc1	PC-id_74823697	322.355	DIPCGPWYVULIKL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-128721
CCC12CCC(C2(C1C)C(=O)O)Oc1nc(OC)cc(n1)OC	PC-id_54471873,SCHEMBL9122308	322.356	XIXULKIOPOXXPO-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-128722
COc1cc(OC)nc(n1)OC1CCC2(C1(C2)C(=O)O)C(C)C	PC-id_53821472,SCHEMBL9124890	322.356	FWBLSRBYXDQMEP-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-128723
O(C1C2(C(C2)(CC1)C)C(=O)OCC)c1nc(OC)cc(OC)n1	PC-id_54566934	322.356	ZUMJFTFGJNPYEF-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-128724
O=C([C@@H]1[C@@H]2[C@H]1COC2)N[C@@H]1COC[C@@H]1NC(=O)[C@@H]1[C@@H]2[C@H]1COC2	EMOLS-id_317778355,MCULE-3730174808	322.356	VDNWIXVTKSHKKS-WKHAWPDXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-128725
O=C(N1CC2C(C1)C2NCc1ccc(o1)C(=O)O)OC(C)(C)C	PC-id_107238684	322.356	BRTUXXFGBCSPDM-UHFFFAOYSA-N	00100010101000000000010000000000000000000000000000000000	22-01-128726
O=C(N1CC2C(C1)C2NCc1occ(c1)C(=O)O)OC(C)(C)C	PC-id_107238451	322.356	PYWPTYPBXNAXLP-UHFFFAOYSA-N	00100010101000000000010000000000000000000000000000000000	22-01-128727
C1C2C1C(N(C2)C(=O)Nc1ccccc1c1ccccc1)C(=O)O	PC-id_86287668,SCHEMBL17868106	322.358	MFIOIBZTWMWXCU-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-128728
Fc1cc(ccc1n1cccn1)S(=O)(=O)N[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_316878487,MCULE-2135561696	322.358	FTMHGEICFIBXPR-YABSGUDNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-128729
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O=C(c1cccc(c1)C(=O)N1CCOC2C1C2)Nc1ccccc1	EMOLS-id_318597189	322.358	OLQYJWLEEUJDHP-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-128732
O=C(c1ccc(cc1)C(=O)N1CCOC2C1C2)Nc1ccccc1	EMOLS-id_318760499	322.358	ANRMTKVBLYLSJL-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-128733
O=C(c1ccc(nc1C)c1ccccc1)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)O	EMOLS-id_318543449,MCULE-6996467225	322.358	AMWHARJQBQYPNU-QLPKVWCKSA-N	00100010000000111000110000000000000000000000000000000000	22-01-128734
O=C(N1CCOC2C1C2)c1ccc(cc1)NC(=O)c1ccccc1	EMOLS-id_318715171	322.358	GNWQZQSCJFLMNR-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-128735
O=C(N[C@@H]1CC[C@H]2C[C@@]12C(=O)O)c1cccc(c2ccncc2)c1	ZINC22_1875311096	322.358	MQULQXNEOFJQMI-FCEWJHQRSA-N	00100010000010111000110000000000000000000000000000000000	22-01-128736
O=C(N[C@@H]1CC[C@H]2C[C@]12C(=O)O)c1cccc(c2ccncc2)c1	ZINC22_1875311097	322.358	MQULQXNEOFJQMI-FRQCXROJSA-N	00100010000010111000110000000000000000000000000000000000	22-01-128737
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CCc1ccc(cc1)CS(=O)(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_320226647,MCULE-4856800781	322.422	AJJZMPHXACXLAJ-ZBFHGGJFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-128927
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[Si](OC1=CCC2C1(C2C=CC)CO)(C(C)C)(C(C)C)C(C)C	PC-id_73074063	322.558	HSTRWELUHWMREM-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-129172
[Si](OC1=CC[C@H]2[C@@]1([C@@H]2/C=C/C)CO)(C(C)C)(C(C)C)C(C)C	PC-id_11723675	322.558	HSTRWELUHWMREM-JGJJFQDLSA-N	00100011000000000000010000000000000000000000000000000000	22-01-129173
[Si](OC1=CC[C@H]2[C@@]1([C@@H]2C=CC)CO)(C(C)C)(C(C)C)C(C)C	PC-id_11723676	322.558	HSTRWELUHWMREM-LMMKCTJWSA-N	00100011000000000000010000000000000000000000000000000000	22-01-129174
CCCCC(CC12CCCCC1(O2)CC(CCCC)CC)CC	PC-id_139664517	322.568	KHHZPOFLJDIWHE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129175
CCCCC(CC1CCC2C(C1CC(CCCC)CC)O2)CC	SCHEMBL11779605	322.568	JTWNXEJYXNGJNB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129176
CCCCCCCCC12CCCCC1(O2)CCCCCCCC	PC-id_141153249	322.568	AUCMFUHDHACPOW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129177
CCCCCCCCC1CC2OC2CC1CCCCCCCC	SCHEMBL11780432	322.568	MCNNAMOAVHHILO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129178
CCCCCCCCCCCCCCCCC1CCC2C(C1)O2	PC-id_140210204	322.568	XWNHOTCUWVAZMQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129179
CCCCS(OS(CCC1CCC2C(C1)O2)(C)C)(C)C	PC-id_141905802	322.57	WWNOLYDWWUOETG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129180
Clc1cn(nc1I)CC1CC2C(C1)C2	MCULE-2578263008	322.573	HLCXGFUHTFCRKQ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-129181
S1C2C1(SCCCCCSCCSCCCC2)C	PC-id_20778283	322.616	SAKKIHKKOCGIEY-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-129182
S1C2(SC(CCSCCSCCCCC12)CC)C	PC-id_20751690	322.616	IYRNUZVZHWXFDA-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-129183
C1CCC2C(N2S(=O)(=O)OCC(Cl)(Cl)Cl)CC1	SCHEMBL877000,PC-id_87170622	322.636	YWODBSQHZDZMRG-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-129184
CCOC(=O)C1=CC(=O)C2(C(O1)O2)C(=O)c1ccc(cc1)Cl	PC-id_20447150,SCHEMBL11089093	322.697	GRUOQQUVJWQWLF-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-129185
Clc1ccc(c(c1)[N+](=O)[O-])C(=O)C1C(=O)C2CC2N(C1=O)C	SCHEMBL9229472,PC-id_15346133	322.701	DENNCYHGUSIVKT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129186
Cn1c(c(c(n1)Cl)NC(=O)N1CCC2CC2C1)C(F)(F)F	PC-id_136573468	322.714	OFEVESXGGCZKRV-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-129187
ClC[C@]12OC[C@@H]([C@]1(C2OC(=O)C(C)C)OC(=O)C(C)C)F	PC-id_139513558	322.757	CUUUXMXPOBCMPO-YHWAPXQASA-N	00100010000000000000010000000000000000000000000000000000	22-01-129188
ClC[C@]12OC[C@@H]([C@@]1(C2OC(=O)C(C)C)OC(=O)C(C)C)F	SCHEMBL21385567	322.757	CUUUXMXPOBCMPO-DMJDFAIDSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129189
Cc1ccc(c(c1)OCC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cl	EMOLS-id_319110000	322.787	JKNVDEIDKLEATM-BZNIZROVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129190
Cc1ccc(NC(=O)CNC(=O)[C@@H]2[C@H]3CCCO[C@@H]23)c(Cl)c1	ZINC22_355488299	322.787	WAPJRNZWCODOER-VCTAVGKDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129191
C=CCOc1ccc(c(n1)C(=O)N1CCC[C@H]2[C@]1(CO)C2)Cl	EMOLS-id_318866502	322.787	NPOLJPVYIPKTCC-BDJLRTHQSA-N	00100000000010101000010000000000000000000000000000000000	22-01-129192
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)CCC(=O)NCc1ccccc1Cl	EMOLS-id_177424645,MCULE-2668266666,ZINC22_534639236	322.787	UDECURXBKRHEHD-JYAVWHMHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129193
Clc1ccc(c(c1)C)OCC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_318937405	322.787	BLTWNKQMOMBYCP-BZNIZROVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129194
Clc1cccc(c1)OC(C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	EMOLS-id_319257860	322.787	MHZIZYVYFRADMD-KGLDEUSLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129195
Clc1ccc(cc1)O[C@H](C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	EMOLS-id_319775913	322.787	VLEGEICLBKMLHC-USBNGQNGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129196
COc1ccc(cc1CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cl	EMOLS-id_319280175	322.787	YAHOVHRXLZWKKB-BZNIZROVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129197
COc1cccc(c1Cl)CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_318874763	322.787	BKXLDUVZUAPGQG-BZNIZROVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129198
COc1cc(ccc1Cl)CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319002498	322.787	BEESKSYWJBPEMG-BZNIZROVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129199
COc1ccc(c(c1)Cl)CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319669701	322.787	QQDORNGULAIWSH-BZNIZROVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129200
OC[C@]12C[C@H]1CCCN2C(=O)CNC(=O)c1cccc(c1)Cl	EMOLS-id_319311058	322.787	AXLADCKMGHZDHQ-MLGOLLRUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129201
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)C(Cc1ccccc1Cl)O	EMOLS-id_319211133	322.787	IRSCVBARRXMCFJ-GXKMHDKUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129202
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)COc1cccc(c1C)Cl	EMOLS-id_318930205	322.787	RKRSHHMXOIUDCV-BZNIZROVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129203
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)COc1ccc(c(c1)C)Cl	EMOLS-id_320076125,MCULE-2055785722	322.787	ILPWXYUMPQYPBF-BZNIZROVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129204
O=C(NCc1ccccc1Cl)CCN1C[C@@H]2[C@H](C1)C2C(=O)O	PC-id_122563228	322.787	UDECURXBKRHEHD-ODOQXGPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129205
Clc1cccc(c1)C(=O)N1CC2CC2(C1)C#Cc1ccccn1	BindingDB-id_799472,SCHEMBL18811573	322.788	BYYURKCCSXKSEA-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-129206
Clc1ccccc1C(=O)N1CC2CC2(C1)C#Cc1ccccn1	BindingDB-id_799476,SCHEMBL18810311	322.788	RRFMTSWDQMYXBG-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-129207
Clc1ccc(cc1)C(=O)N1CC2CC2(C1)C#Cc1ccccn1	BindingDB-id_799479,SCHEMBL18810313	322.788	FTRRTKIOAAHQNS-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-129208
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cnc(c(c1)Cl)N(C)C	MCULE-2623834933,EMOLS-id_320267159	322.79	KLMYEJPROGBIDA-BMIGLBTASA-N	00100000000010101000010000000000000000000000000000000000	22-01-129209
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1nc(ncc1Cl)C(C)C	EMOLS-id_319953803,MCULE-9500450858	322.79	QYVRFDVYFIBCLU-PSLIRLAXSA-N	00100000000010100001010000000000000000000000000000000000	22-01-129210
O=C(Nc1ncnc(N2CCCC2)c1Cl)[C@@H]1[C@H]2CCCO[C@@H]12	ZINC22_1875392306	322.79	NQGVFABQEGPGSI-CKYFFXLPSA-N	00100010000010100001110000000000000000000000000000000000	22-01-129211
Clc1ccc(c(c1)F)N1CCC(C1=O)NC1CCCC2C1C2	MCULE-6000179473,EMOLS-id_318071640	322.805	YORUZHWDSTXCSK-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-129212
Clc1ccc(c(c1)F)N1CCC(C1=O)NC1CCC[C@@H]2[C@H]1C2	EMOLS-id_318071384,MCULE-1141514928	322.805	YORUZHWDSTXCSK-HUKQRGCBSA-N	00100010000010110000110000000000000000000000000000000000	22-01-129213
Fc1ccc(c(c1)Cl)CN(C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)CC1CC1	EMOLS-id_319464152	322.805	FHOYHIJFMLNLOE-FOLVSLTJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129214
O=C1C(CCN1c1ccc(c(c1)Cl)F)NC1CCC[C@@H]2[C@H]1C2	EMOLS-id_318072673,MCULE-6543452489	322.805	CCQINLZZAMERKF-PNFZQRMFSA-N	00100010000010110000110000000000000000000000000000000000	22-01-129215
O=C1C(CCN1c1ccc(c(c1)F)Cl)NC1CCC[C@@H]2[C@H]1C2	EMOLS-id_318264616,MCULE-5010038510	322.805	LFBBAWXTAQADDC-PNFZQRMFSA-N	00100010000010110000110000000000000000000000000000000000	22-01-129216
O=C1N(Cc2ccc(cc2Cl)C(=S)N)C(=O)C2C1C2(C)C	PC-id_102666441	322.81	IFGDJBPQSMJUIX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129217
Cn1cc(C(=O)N2C[C@H]3[C@H](N)[C@H]3C2)c(c2ccc(Cl)s2)n1	ZINC22_1875287550	322.813	OJDCMENBSPTMFO-JDICNCQASA-N	00100010100100000001110000000000000000000000000000000000	22-01-129218
O=C(N1CC2C(C1)C2)Nc1ccnn1Cc1ccc(s1)Cl	EMOLS-id_318378720	322.813	KYAGQQXVOXZLDT-UHFFFAOYSA-N	00100010100100000001010000000000000000000000000000000000	22-01-129219
Cc1c(ccc(c1)Cl)OCC(C)(C)NC(=O)C1C2C1CNC2	PC-id_86293319,SCHEMBL19724851	322.83	MXHPNLUZRWZRCU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129220
Cc1cc(Cl)ccc1OCC(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12	BindingDB-id_599435,SCHEMBL16252635	322.83	MXHPNLUZRWZRCU-NHAGDIPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129221
Clc1cccc(c1)CNC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_107238778	322.83	WWFZTCGSLDJKGO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129222
Clc1ccc(CN2CC3C(C3NC(=O)OC(C)(C)C)C2)cc1	PC-id_77623972	322.83	XVOHGUYVKNCFLF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129223
Clc1ccc(CN2C[C@H]3[C@H](C3NC(=O)OC(C)(C)C)C2)cc1	PC-id_69223381	322.83	XVOHGUYVKNCFLF-YIONKMFJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129224
O=C(C1[C@@H]2[C@H]1CNC2)NC(COc1ccc(cc1C)Cl)(C)C	SCHEMBL20023192,BindingDB_PC-id_86293319	322.83	MXHPNLUZRWZRCU-NNQSOWQGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129225
O=C(N1CC2C(C1)C2NCc1ccc(cc1)Cl)OC(C)(C)C	PC-id_107238406	322.83	OUIQCTOFWBZURV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129226
O=C(N1CC2C(C1)C2NCc1ccccc1Cl)OC(C)(C)C	PC-id_107238762	322.83	NBHMWTJZVSLCCI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129227
O=C(OC(C)(C)C)NC1C2[C@@H]1CN(C2)Cc1ccc(cc1)Cl	PC-id_143613228	322.83	XVOHGUYVKNCFLF-NFOMZHRRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129228
O=C(OC(C)(C)C)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccc(cc1)Cl	SCHEMBL4869666	322.83	XVOHGUYVKNCFLF-FICVDOATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129229
C1[C@@H]2C(O2)[I-]C1I	PC-id_163679758	322.844	PHQBXVHCNDTHTH-KFVOUYQTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129230
BrC12C(C1(Cl)Cl)(CCC2)CBr	PC-id_85715449	322.852	NLYARDCUNJGICF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129231
CC(=O)[C@@H]1C2[C@@H](C2(Br)Br)CN1C(=O)C	PC-id_149389175	322.916	YNEOMWVPGBUDSS-YPVSKDHRSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129232
CC(=O)[C@@H]1[C@@H]2C(C2(Br)Br)CN1C(=O)C	PC-id_149389176	322.916	YNEOMWVPGBUDSS-ZHFSPANRSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129233
CC(=O)[C@@H]1[C@@H]2[C@H](C2(Br)Br)CN1C(=O)C	PC-id_164130344	322.916	YNEOMWVPGBUDSS-GJMOJQLCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129234
C[I-]C1=CC2=C(C2C=C1)Oc1ccccc1	PC-id_163648573	322.994	QVSBBZXOJVUQMC-UHFFFAOYSA-N	00110000000011110000010000000000000000000000000000000000	22-01-129235
CC12C([Al]1I)(OCCCCCN2C)C	PC-id_163671576	323.033	JDAIUYQOULJYRS-UHFFFAOYSA-M	00100000000000000101010000000000000000000000000000000000	22-01-129236
C1C(CC2C1C2(F)F)C(CO)C3=C(SC=C3)S(=O)(=O)N	PC-id_154344873	323.046	JZJJSQNCEMGXBY-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-129237
Cc1c(nc(cc1)Br)NC(=O)[C@@H]1C[C@]2(CC2N1C)C	PC-id_163895796	323.063	QFMBTJRXXGWQGS-GEPZPADCSA-N	00100010000000101000010000000000000000000000000000000000	22-01-129238
CCCSSCCNC(=C)C1[C@@H]2[C@](O2)([C@@H](C(O1)O)O)O	PC-id_163630758	323.086	HVVRHEVHXPFFJC-SEIUWDOFSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129239
COC(=O)C(C1C2C1CC(C2)O)NC(=O)C3=CC=C(C=C3)Cl	PC-id_153288965	323.092	QITSWKCBGHUDJG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129240
COC(=O)C(C1[C@H]2[C@@H]1CC(C2)O)NC(=O)C3=CC=C(C=C3)Cl	PC-id_146691850	323.092	QITSWKCBGHUDJG-HPCMXSDISA-N	00100010000010110000010000000000000000000000000000000000	22-01-129241
C[C@H]1[C@@H]2[C@@H]([C@H]2C(=O)OC)CCN1S(=O)(=O)C3=CC=C(C=C3)C	PC-id_164674493	323.119	GEVRSMMASPJEMK-SPWCGHHHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129242
CC(CC1[C@@H]2C1C=C(C=C2[N+](=O)[O-])C(=O)OC(C)(C)C)C(=O)O	PC-id_163689739	323.137	JRYIBZXAEQEBBC-KIEYTJIHSA-N	00100000000011000000010000000000000000000000000000000000	22-01-129243
C1CC1(CC2=CC=CC=C2C(F)(F)F)CC(=O)C3[C@H]4[C@@H]3CNC4	PC-id_148760527	323.15	OGLSGIVTCVXEBH-OCZCAGDBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129244
O=C(c1c(Br)snc1C)N1CC2C(C1)C2(F)F	EMOLS-id_318386500	323.157	DKLLXMXVLOYIFH-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-129245
O=C(c1sncc1Br)NC1CC2C(C1)C2(F)F	EMOLS-id_318394212	323.157	ULRJRSQJNQXFFJ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-129246
O=C(C(c1scc(n1)Br)(F)F)N1CC2C(C1)C2	PC-id_118453294,SCHEMBL17183478	323.157	BLLALJIAUVZTIS-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-129247
CC(C)(C)OC(=O)N1CC2C(CI)C2C1	MCULE-2046544264,EMOLS-id_317705169	323.171	YFCUMFNMHJPTFE-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129248
ICC1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_101362976	323.171	YFCUMFNMHJPTFE-CBLAIPOGSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129249
CC(=O)O[C@H](CC1CCCCC1)C(=O)N2CC[C@H]3[C@@]2(C3)C(=O)O	PC-id_153803400	323.173	AVRNWGMUCDSDAR-CPUCHLNUSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129250
NC(=O)C1(N)C2C1(I)CN(C2)C(C)(C)C	SCHEMBL19251594	323.174	DQSCFLOFGBTUPU-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129251
Brc1ccc(c(c1)N)CN1C(=O)C2C(C1=O)C2(C)C	PC-id_114380609	323.185	HQINHSJXZKSBQX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129252
Brc1c(CN2C(=O)C3C(C3C2=O)(C)C)ccc(N)c1	PC-id_64837543	323.185	XSKKRZMTVHHTEL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129253
Brc1c(CN2C(=O)C3C(C3C2=O)(C)C)c(N)ccc1	PC-id_64834697	323.185	CJGAMTAHOHJMQV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129254
Brc1c(C(=O)N2C(C3C(C3)C2)C(=O)N)ccc(c1)C	PC-id_76542719	323.185	JCLRSXCDRVHPSI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129255
Brc1c(C(=O)N2C(C3C(C3)C2)C(=O)N)cc(cc1)C	PC-id_76542720	323.185	NACRVOPSPKGQNJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129256
Brc1c(C(=O)N2C(C3C(C3)C2)C(=O)N)cccc1C	PC-id_76542721	323.185	MUJFYIBDGRDTDF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129257
Brc1c(C(=O)N2[C@H]([C@@H]3[C@@H](C3)C2)C(=O)N)ccc(c1)C	PC-id_57489336	323.185	JCLRSXCDRVHPSI-PTOFAABTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129258
Brc1c(C(=O)N2[C@H]([C@@H]3[C@@H](C3)C2)C(=O)N)cc(cc1)C	PC-id_57489337	323.185	NACRVOPSPKGQNJ-HOTUBEGUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129259
Brc1c(C(=O)N2[C@H]([C@@H]3[C@@H](C3)C2)C(=O)N)cccc1C	PC-id_57489338	323.185	MUJFYIBDGRDTDF-PTOFAABTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129260
Brc1c(C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)C(=O)N)cccc1C	PC-id_68443634,SCHEMBL2926433	323.185	MUJFYIBDGRDTDF-UISBYWKRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129261
Brc1c(C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)C(=O)N)cc(cc1)C	SCHEMBL2931508,PC-id_68445638	323.185	NACRVOPSPKGQNJ-LNLATYFQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129262
Brc1c(C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)C(=O)N)ccc(c1)C	SCHEMBL2931793,PC-id_68445768	323.185	JCLRSXCDRVHPSI-UISBYWKRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129263
C1CCN(CC1)C(=O)N1CCC(CC1)(OC1CO1)OC1C2C1N2	PC-id_163904079	323.185	QMJSKAAJACMBOR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129264
CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)OC)C	PC-id_165387455	323.185	XYWNFQBJSGWYOA-HTFCKZLJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129265
Nc1cc(cc(c1)Br)CN1C(=O)C2C(C1=O)C2(C)C	PC-id_103350152	323.185	QERJBXLLYMQVPC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129266
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccccc1Br	EMOLS-id_318893042	323.185	VTZKUJZWVRFOLC-OTYXRUKQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129267
O=C1N(Cc2cccc(c2Br)N)C(=O)C2C1C2(C)C	PC-id_108171822	323.185	MNBFFKBUYDJFBO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129268
O=C1N(Cc2ccc(c(c2)N)Br)C(=O)C2C1C2(C)C	PC-id_115557384	323.185	TXZBNNRWYDTJFQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129269
O=C(N[C@@H]1[C@H]2COC[C@@H]12)c1cc(Br)cnc1C1CC1	MCULE-9609399117,EMOLS-id_316997536,ZINC22_935761128	323.185	GEIXQKUWUNQPTB-PJXYFTJBSA-N	00100010000000101000110000000000000000000000000000000000	22-01-129270
C1C2C(C2NNC(c2ccncc2)NNc2ccncc2)C=CN1	PC-id_163770333	323.186	MFWDEXKRAYAFFQ-UHFFFAOYSA-N	00100000000011101000010000000000000000000000000000000000	22-01-129271
CC(C)CCCCCCCOC(=O)C1C=C2C(O2)CC1C(=O)[O-]	PC-id_154048284	323.186	OTGXTNNRYNIAPY-UHFFFAOYSA-M	00100000000011000000010000000000000000000000000000000000	22-01-129272
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)CC3CCCC=C3F	PC-id_162155498	323.19	HIIGSEDDPASUJF-YBVGDJDPSA-N	00100010000011000000010000000000000000000000000000000000	22-01-129273
C1CC2C(C2COC(=O)NCCCCC(C(=O)[OH2+])N)CCC#C1	PC-id_149057677	323.197	QLDVOCPEKYLEOT-UHFFFAOYSA-O	00100000000000000110010000000000000000000000000000000000	22-01-129274
CC12CC1C2(CCCCNC(=O)OC(C)(C)C)C(=O)OC1CC1	PC-id_164139435	323.21	YUWHTQCIGATCSR-UHFFFAOYSA-N	00101000000000000000010000000000000000000000000000000000	22-01-129275
CC(C)(C)[C@@H](C(=O)O)NC(=O)OC1CC2C[C@@H]2[C@H]1CCCC=C	PC-id_163929748	323.21	RHRMKUWQHVKEHS-OYNNJRIESA-N	00100010000010000000010000000000000000000000000000000000	22-01-129276
CC(C)CC(=O)C1C2CC2CN1C(=O)C(CC(=O)OC)C(C)C	PC-id_160972932	323.21	SYMMGQQCMUMQIL-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129277
Clc1ccc(c(c1)Cl)n1nnc(c1)CNC1CCC2C1C2	EMOLS-id_318392989,MCULE-2882648294	323.22	CMZYAHXWICTDNN-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-129278
Clc1cccc(c1Cl)n1nnc(c1)CNC1CCC2C1C2	EMOLS-id_318582674,MCULE-6191879679	323.22	PRHGZPZVJHIBNH-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-129279
Clc1ccc(cc1Cl)n1nnc(c1)CNC1CCC2C1C2	MCULE-6690645900,EMOLS-id_318470216	323.22	ZXLXZBLHAUYJKX-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-129280
CC(C)[C@@H](C(=O)C12C(C1(C)C)CNC2C(=O)N)NC(=O)C(C)C	PC-id_165393764	323.221	DGCRTOMRBJHNEZ-BWDWGJGTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129281
CC(C)(C)OC(=O)N(C)CC1=NN(C2C(C1)O2)CC1CCCC1	PC-id_163742328	323.221	LIVWPNGWPHUYRC-UHFFFAOYSA-N	00100010000011000001010000000000000000000000000000000000	22-01-129282
Brc1cc(C(=O)C2C3C2CCCC3)c(OC)cc1C	PC-id_81624664	323.225	NQMUPYWXQKQXCY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129283
Brc1cc(C(=O)C2C3C2CCCC3)c(OCC)cc1	PC-id_81624658	323.225	HBLKGKKGVDIEKZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129284
Brc1c(C(=O)C2C3C2CCCC3)ccc(OCC)c1	PC-id_81623840	323.225	NJFWMDVUFDWHCU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129285
CCCOc1ccc(cc1Br)C(=O)C1C2C1CCC2	PC-id_104657104	323.225	BJHZROZGBHUTQN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129286
CCCOc1ccc(cc1Br)C(=O)C1CC2C(C1)C2	PC-id_104657007	323.225	ZTGJHDDTZQHSDQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129287
CCOc1ccc(cc1Br)C(=O)C1C2C1CCCC2	PC-id_104656853	323.225	TVNNXNNLXSTMRM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129288
COc1ccc(cc1Br)CC(=O)C1C2C1CCCC2	PC-id_114964679	323.225	WGSBZBUAMNNUKU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129289
COc1ccc(cc1CC(=O)C1C2C1CCCC2)Br	PC-id_114964561	323.225	GBKGJRJCTZOOIJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129290
COc1ccc(c(c1)CC(=O)C1C2C1CCCC2)Br	PC-id_114973612	323.225	NFIZNESTPKBNIF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129291
COc1c(C)cc(c(c1C(=O)C1C2C1CCC2)C)Br	PC-id_113370018	323.225	VKFIGKXPZAWJTQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129292
COc1c(C)cc(c(c1C(=O)C1CC2C(C1)C2)C)Br	PC-id_104051548	323.225	KVLSSYLCYYRQKS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129293
Brc1ccc(c(c1)N)N(C(=O)C1C2C1CCCC2)C	PC-id_105603326	323.228	HPMFCLDIPDRDGB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129294
Brc1ccc(C(CC(=O)NC2C3C2CNC3)C)cc1	PC-id_81710597	323.228	AFNVARISZVGKHD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129295
Brc1cc(c(NC(=O)C2C3C2CCCC3)c(N)c1)C	PC-id_81623424	323.228	UWDZRJZIPSVBCE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129296
Brc1cc(NC(=O)C2CC3C(C3)C2)c(N(C)C)cc1	PC-id_80471745	323.228	CVVCVCFLBYLOTB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129297
Cc1cc(N)c(c(c1)Br)NC(=O)C1C2C1CCCC2	PC-id_116813582	323.228	JKOBWQZAQKRNSQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129298
O=C(C1C2C1CCCC2)Nc1cc(Br)cc(c1N)C	PC-id_120343692	323.228	MVZMEKAISVOTRA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129299
O=C(C1C2C1CCCC2)Nc1cc(N)c(cc1Br)C	PC-id_104814366	323.228	UKNTVKASJWEEGI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129300
O=C(C1CC[C@@H]2[C@H](CC1)C2)NCc1cncc(c1)Br	EMOLS-id_319237041	323.228	MFYSLHLWOHLVRF-YHWZYXNKSA-N	00100000000000101100010000000000000000000000000000000000	22-01-129301
O=C(Cc1cc(Br)cc(n1)C)NC[C@@]12CCC[C@@H]1C2	EMOLS-id_318945300	323.228	WTDAWKMITCKKRY-ABAIWWIYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129302
O=C(N(C(c1ccccc1Br)C)C)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_320026330,MCULE-3241098697	323.228	NMOOEDRYZQVVDO-BPXFGJGYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129303
Brc1c(S(=O)(=O)NC2C3C2CNC3)scc1	PC-id_61457792	323.23	NBOHUSNFDNPPMP-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-129304
Brc1sc(S(=O)(=O)NC2C3C2CNC3)cc1	PC-id_43597445	323.23	DBAOTDJPVUHVHV-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-129305
C1C[C@@H]2[C@H](C1)N2C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_135078911	323.234	RGUKWSDCSHUJKE-QHILPLLWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129306
FC(F)(F)c1cc(C(=O)N2C3C2CCC3)cc(c1)C(F)(F)F	PC-id_57558269,SCHEMBL3096904	323.234	RGUKWSDCSHUJKE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129307
CCCCNC(CC/C=C(/[C@@]12CCS[C@@H]1C2)NCCC)N=C	PC-id_163677005	323.24	JHNWSZDVQBHZHP-LTYVUISGSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129308
BrC(C1C2C1CCCC2)c1ccc(cc1)CCOC	PC-id_81636500	323.268	JSVFJRJODXNORT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129309
BrC(C1C2C1CCCC2)c1cc(c(OC)c(c1)C)C	PC-id_83068072	323.268	HQYYXSJCSCEHPP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129310
BrC(C1C2C1CCCC2)c1ccc(OC(C)C)cc1	PC-id_81637805	323.268	DNIBUNGBOQGCBG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129311
BrC(C1C2C1CCCC2)c1c(OCC)ccc(c1)C	PC-id_81636662	323.268	CAYYASXRGWTWLA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129312
BrCC1(CCCOCc2ccccc2)CC2CC2C1	EMOLS-id_207582327,MCULE-2448142625	323.268	AJAIPWLVHZFRJG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129313
BrCC1(CC2C(C2)C1)Cc1nn(C2CCCC2)cc1	PC-id_80473369	323.271	UQBUBEUVZSIAQA-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-129314
CCCNC(C1C2C1CCC2)Cc1ccc(cn1)Br	PC-id_105036141	323.271	LNBKHABPZFQDDS-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129315
CCCNC(C1C2C1CCC2)Cc1cncc(c1)Br	PC-id_105036650	323.271	DYYOVLRYVACBJI-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129316
CCCNCC1(CC2C(C1)C2)Cc1ccc(cn1)Br	PC-id_104810900	323.271	NLNYVYRYDYWVTI-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129317
CCCNC(C1CC2C(C1)C2)Cc1ccc(cn1)Br	PC-id_105036079	323.271	PPXSTMCQVVPDHP-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129318
CCCNCC1(CC2C(C1)C2)Cc1cncc(c1)Br	PC-id_104810901	323.271	AXCJAQXVKHLHRN-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129319
CCCNC(C1CC2C(C1)C2)Cc1cncc(c1)Br	PC-id_105036591	323.271	ALESTOMWAVHGEA-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129320
CCNC(C1C2C1CCCC2)Cc1ccc(cn1)Br	PC-id_105036063	323.271	KNEMRBBVPAWSKR-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-129321
CCNC(C1C2C1CCCC2)Cc1cncc(c1)Br	PC-id_105036575	323.271	SMFNQDBEBRZKQE-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-129322
CC(NCC1(CC2C(C1)C2)Cc1ccc(cn1)Br)C	PC-id_104810902	323.271	MVUZYLHAOCPVDX-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129323
CC(NCC1(CC2C(C1)C2)Cc1cncc(c1)Br)C	PC-id_104810903	323.271	BNIQVROKJGLPKO-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129324
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1F)OC	EMOLS-id_317347714,MCULE-7074343664,ZINC22_1704316044,PC-id_135091586	323.273	TUQLUKHDEYBIPN-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129325
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cccc(F)c1OC	PC-id_135102190,ZINC22_1704312360,EMOLS-id_317357174,MCULE-2851882983	323.273	QEEFGRUEWWEVAU-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129326
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(c(F)c1)OC	ZINC22_1772705342,PC-id_137339355,MCULE-8500682687,EMOLS-id_317476997	323.273	SASRJMHLHFPJCG-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129327
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(F)ccc1OC	PC-id_135113780,MCULE-6035620794,EMOLS-id_317361063,ZINC22_1704326054	323.273	UVPSBOULCDKTME-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129328
OC(=O)CCN(C(=O)C1C2C1CCC2)Cc1cccc(c1F)F	PC-id_120196109,MCULE-2685096769,EMOLS-id_53652695	323.334	VLNXRQMCGAQADE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129370
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1ccc(c(F)c1)O	EMOLS-id_317347962,PC-id_135102290,ZINC22_1704309315,MCULE-3874853168	323.273	QSBDFLRPTYOXGC-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129329
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)COc1ccc(cc1)F	ZINC22_1704333020,PC-id_135116890,EMOLS-id_317382832,MCULE-6222455266	323.273	VFMXLALKWCOALR-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129330
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)COc1cccc(F)c1	MCULE-8640278823,EMOLS-id_317333936,ZINC22_1704328706,PC-id_135108276	323.273	NMFAHQAHPYIDJZ-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129331
CCC12CCCCCC(CCCCC1C2C(=O)OC(C)(C)C)N	PC-id_155259874	323.282	ZNRSMJIRVRNDPS-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-129332
[Se](C1CC2C(C2C(C1=O)CO)(C)C)c1ccccc1	PC-id_73075189	323.289	YKPIPBATKLYTDI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129333
[Se](C1C[C@H]2C([C@H]2[C@@H](C1=O)CO)(C)C)c1ccccc1	PC-id_11727043	323.289	YKPIPBATKLYTDI-PIGZVRMJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129334
BrCC1(CCS(=O)(=O)C(C)(C)C)CC2C(C1)C2	PC-id_106734692	323.29	TXRNSXGOLBPERJ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129335
COc1cc(/C=C/C(=O)NC2OC3OC3C(C2O)O)ccc1O	PC-id_139404453,SCHEMBL21261334	323.298	VFGTZAXECFHHHS-HWKANZROSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129336
O1C2C1(OC(NC(=O)c1cc(cc(c1)C)C)C(O)C2O)C(=O)O	PC-id_85068773	323.298	ANKFRQWWHFSWKE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129337
O1[C@@H]2[C@]1(O[C@@H](NC(=O)c1cc(cc(c1)C)C)[C@H](O)[C@H]2O)C(=O)O	PC-id_9923222	323.298	ANKFRQWWHFSWKE-CJWQTGLVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129338
Cc1cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(F)(F)F)ccc1F	MCULE-7135560113,EMOLS-id_320359503,ZINC22_1776002559	323.306	PVSOVLYFIPPCAP-IAZYJMLFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129339
Fc1ccc(cc1C)S(=O)(=O)N1C[C@@H]2[C@H](C1)C2C(F)(F)F	PC-id_139009459	323.306	PVSOVLYFIPPCAP-DHHPTOIESA-N	00100010000000110000010000000000000000000000000000000000	22-01-129340
Cc1ccnc(c1F)c1noc(n1)CC12CCCCC1C2(F)F	EMOLS-id_319380831	323.313	XAOVRJPSPZACQR-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-129341
N#Cc1ccc(cc1C(F)(F)F)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111861256	323.313	BTMSEJWIYWHUNI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129342
Cc1ccc(cc1)COC1CC2C(C1(N)C(=O)O)C2(F)C(=O)O	PC-id_137480262,SCHEMBL20722215	323.316	CVAFGISXRYNCDR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129343
Cc1cccc(CO[C@@H]2C[C@@H]3[C@H]([C@]2(N)C(=O)O)[C@@]3(F)C(=O)O)c1	PC-id_11255753,CHEMBL359805,BindingDB_PC-id_11255753	323.316	FPWYCOGRDSFHML-POPZOMSYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129344
Cc1ccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(=O)O)[C@]2(N)C(=O)O)cc1	PC-id_137488664,SCHEMBL20731150,BindingDB-id_914892	323.316	CVAFGISXRYNCDR-POPZOMSYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129345
COc1ccc(cc1F)CC1CC2C(C1(N)C(=O)O)C2C(=O)O	PC-id_67685336,SCHEMBL8764589	323.316	JYBIXQIJVMPURX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129346
FC1(C2C1CC(OCc1cc(ccc1)C)C2(N)C(=O)O)C(=O)O	PC-id_72771650	323.316	FPWYCOGRDSFHML-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129347
CCCCCCCC(CCCCCCC)N1CC[C@@H]2[C@]1(C2)CO	PC-id_155129510	323.319	DYYVMYJTJKERHQ-FPOVZHCZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129348
OC(=O)CCN(C(=O)C1[C@@H]2[C@H]1CCC2)Cc1ccc(c(c1)F)F	PC-id_97796159	323.334	VDPSVWQLEWONJY-HBBFGDNQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129371
C=C[C@H]([C@H]([C@H]1[C@H]2[C@H](C2(C)C)C[C@H]([C@]1(O)C#C)C)O[P+]#P)C	PC-id_117725236	323.327	CTOYNYVEBBBABO-IPPAOBIKSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129349
C1CCC2(C(C1)C2(F)F)CC(=O)NCc1ccc(cc1)C(=O)O	EMOLS-id_316520538,MCULE-4392031861,PC-id_136551629	323.334	VGJDJVGACZXASU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129350
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CC(C)N(C)S(=O)(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12	ZINC22_952964375,EMOLS-id_316967547,MCULE-6989657303	323.454	QNQRNQXJIKJROZ-ZSHCYNCHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129612
CCCN(S(=O)(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)C	EMOLS-id_319871282	323.454	ZOLZMZWTMQWGQI-ZSHCYNCHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129613
CCN(CC)S(=O)(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12	EMOLS-id_316966011,ZINC22_952882947,MCULE-9540534496	323.454	LRGJLGSMBLKHQB-ZSHCYNCHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129614
Cn1ccnc1C1CCCN(C1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_319726478	323.454	VFLIDRIWSGSQLS-UHFFFAOYSA-N	00100000100010000001110000000000000000000000000000000000	22-01-129615
Cn1ccnc1C1N(CC1(C)C)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_319485535	323.454	QNFKTQRQJWVPQM-UHFFFAOYSA-N	00101000100010000001110000000000000000000000000000000000	22-01-129616
Cn1ncc(c1)CC1CCN(C1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_319515119	323.454	NKWGKNHLTMWUBR-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-129617
Cn1ncc(c1CNS(=O)(=O)C1C2C1CCCC2)C1CCC1	EMOLS-id_319309023	323.454	YHEFZWZAWNBKDU-UHFFFAOYSA-N	00101000100010000001110000000000000000000000000000000000	22-01-129618
O=C(N1CC2C(C1)C2NC(c1csc(n1)C)C)OC(C)(C)C	PC-id_107238734	323.454	LGVNDUOBVNVOQA-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-129619
O=C(N1CC2C(C1)C2NC(c1scnc1C)C)OC(C)(C)C	PC-id_107238435	323.454	VRHPHKIOYLYANG-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-129620
O=C(N1CC2C(C1)C2NCc1sc(nc1C)C)OC(C)(C)C	PC-id_107238622	323.454	WMTSIUUHZMANKT-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-129621
O=S(=O)(C1C2C1CCCC2)N1CCC(CC1)Cn1cncc1	MCULE-1591618426,EMOLS-id_320116058	323.454	RSJXKMUOYKIFLR-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-129622
CC1CCC2C(C1)(OC1CCN(C1)C(=O)OC(C)(C)C)C2(C)C	PC-id_69114759,SCHEMBL4613158	323.47	SHGVOYVLWNITAE-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129623
CC1CCCC2(C)OC2CCNC(=O)CCC(C(=O)CC1)(C)C	PC-id_21914210,SCHEMBL3822826	323.47	DEIDKDMLVDYZAF-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-129624
CC1C(O1)(C)CCC(C)(C)C(=O)NCC1(CCC2(C(C1)O2)C)C	PC-id_89277439,SCHEMBL14220300	323.47	ITJUXRRLEYHHPG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129625
CN(C[C@@]([C@@H]1CC/C(=C/CC[C@@]2([C@H]([C@H]1C)C2)C)/C)(C(=O)O)O)C	PC-id_144617254	323.47	LRUDGJPUXJJMPV-BEWCNXIJSA-N	00100000000000000110010000000000000000000000000000000000	22-01-129626
O1C2(C1CCCCCCC(=O)CCCC(=O)NC(C2(C)C)C)C	PC-id_54224778	323.47	QFBXPSCRVCFRTJ-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-129627
O=C1CCCC(=O)C(C)(C)CC(C)(C)CCCC2C(CCN1)O2	PC-id_140471725	323.47	MGDUHWIBMMJZJL-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-129628
C1(C(=O)Nc2ccc(c(C)c2)C)C2C1CCC=CCCC=CCC2	PC-id_577911,MCULE-3282745849	323.472	YNYJWHKSWOEMFB-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129629
Cc1ccc(C)c(NC(=O)C2C3CC/C=C/CC/C=CCCC23)c1	EMOLS-id_2141897	323.472	DLKVVNHCTIIWGI-CGXWXWIYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129630
Cc1cc(C)cc(NC(=O)C2C3CC/C=C/CC/C=CCCC23)c1	EMOLS-id_2431294	323.472	LNMZCLWEFPNPOD-CGXWXWIYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129631
Cc1ccc(C)c(NC(=O)[C@@H]2[C@@H]3CC/C=CCC/C=C/CC[C@@H]23)c1	ZINC22_239296823	323.472	DLKVVNHCTIIWGI-KIVLHGCHSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129632
Cc1ccc(C)c(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@H]23)c1	ZINC22_239296824	323.472	DLKVVNHCTIIWGI-RFYHQAPCSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129633
Cc1ccc(C)c(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@@H]23)c1	ZINC22_239296825	323.472	DLKVVNHCTIIWGI-RKOIICJPSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129634
Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@H]23)c1	ZINC22_239338983	323.472	LNMZCLWEFPNPOD-MSWHRCRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129635
Cc1cc(C)cc(NC(=O)[C@@H]2[C@@H]3CC/C=CCC/C=C/CC[C@@H]23)c1	ZINC22_239338985	323.472	LNMZCLWEFPNPOD-WKIZAAJZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129636
Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@@H]23)c1	ZINC22_239338986	323.472	LNMZCLWEFPNPOD-YDQYBXDYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129637
Cc1ccc(C)c(NC(=O)[C@H]2[C@H]3CC/C=C/CC/C=CCC[C@@H]23)c1	ZINC22_252320611	323.472	DLKVVNHCTIIWGI-YJCKGHQESA-N	00100000000000110110010000000000000000000000000000000000	22-01-129638
Cc1cc(C)cc(NC(=O)[C@H]2[C@H]3CC/C=C/CC/C=CCC[C@@H]23)c1	ZINC22_252327518	323.472	LNMZCLWEFPNPOD-NOCDDDFDSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129639
Cc1cccc(NC(=O)C2[C@H]3CCC=CCCC=CCC[C@H]23)c1C	PC-id_5454820,ZINC22_252633104	323.472	VZJYFAZDSQEGOH-CHEUHSMRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129640
Cc1cccc(NC(=O)C2[C@@H]3CCC=CCCC=CCC[C@@H]23)c1C	ZINC22_252633103,PC-id_5454822	323.472	VZJYFAZDSQEGOH-AQFHOAJTSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129641
Cc1cccc(NC(=O)[C@@H]2[C@H]3CCC=CCCC=CCC[C@@H]23)c1C	ZINC22_252633105	323.472	VZJYFAZDSQEGOH-KXTWHKPSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129642
Cc1cccc(NC(=O)[C@@H]2[C@@H]3CC/C=CCC/C=C/CC[C@@H]23)c1C	ZINC22_585162590	323.472	VZJYFAZDSQEGOH-KIVLHGCHSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129643
Cc1cccc(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@H]23)c1C	ZINC22_585162591	323.472	VZJYFAZDSQEGOH-RFYHQAPCSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129644
Cc1cccc(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@@H]23)c1C	ZINC22_585162592	323.472	VZJYFAZDSQEGOH-RKOIICJPSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129645
Cc1cccc(NC(=O)[C@H]2[C@H]3CC/C=C/CC/C=CCC[C@@H]23)c1C	ZINC22_585162593	323.472	VZJYFAZDSQEGOH-YJCKGHQESA-N	00100000000000110110010000000000000000000000000000000000	22-01-129646
Cc1ccc(NC(=O)C2C3CC/C=C/CC/C=CCCC23)cc1C	TIMTEC575773,EMOLS-id_2142279	323.472	YNYJWHKSWOEMFB-CGXWXWIYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129647
Cc1ccc(NC(=O)C2[C@H]3CC/C=CCC/C=C/CC[C@@H]23)cc1C	ZINC22_100038930	323.472	YNYJWHKSWOEMFB-KZOZUBAUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129648
Cc1ccc(NC(=O)C2[C@H]3CC/C=C/CC/C=C/CC[C@@H]23)cc1C	ZINC22_108668901,PC-id_98912622	323.472	YNYJWHKSWOEMFB-HWNNCWJRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129649
Cc1ccc(NC(=O)C2[C@@H]3CCC=CCCC=CCC[C@@H]23)cc1C	ZINC22_1168399,PC-id_1335157	323.472	YNYJWHKSWOEMFB-OSBQEZSISA-N	00100000000000110110010000000000000000000000000000000000	22-01-129650
Cc1ccc(NC(=O)C2[C@@H]3CC/C=CCC/C=C/CC[C@@H]23)cc1C	ZINC22_15133735	323.472	YNYJWHKSWOEMFB-CSIIQXPISA-N	00100000000000110110010000000000000000000000000000000000	22-01-129651
Cc1ccc(NC(=O)C2[C@H]3CC/C=CCC/C=CCC[C@@H]23)cc1C	ZINC22_32143695	323.472	YNYJWHKSWOEMFB-FWVCXJRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129652
Cc1ccc(NC(=O)C2[C@H]3CC/C=C/CC/C=CCC[C@@H]23)cc1C	ZINC22_5101806	323.472	YNYJWHKSWOEMFB-LFLPVPSSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129653
Cc1ccc(NC(=O)C2[C@H]3CC/C=CCC/C=C/CC[C@H]23)cc1C	ZINC22_5342585	323.472	YNYJWHKSWOEMFB-ATTRJDLJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129654
Cc1ccc(NC(=O)C2[C@H]3CC/C=CCC/C=C/CC[C@@H]23)c(C)c1	ZINC22_100521723	323.472	VNWXMAQEDSQWPX-WFYAJFEZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129655
Cc1ccc(NC(=O)C2[C@H]3CCC=CCCC=CCC[C@H]23)c(C)c1	ZINC22_1559660654,PC-id_23309089	323.472	VNWXMAQEDSQWPX-CHEUHSMRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129656
Cc1ccc(NC(=O)C2[C@H]3CC/C=CCC/C=C/CC[C@H]23)c(C)c1	ZINC22_3060870	323.472	VNWXMAQEDSQWPX-KFFBHGGXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129657
Cc1ccc(NC(=O)C2[C@H]3CC/C=C/CC/C=CCC[C@@H]23)c(C)c1	ZINC22_3060872	323.472	VNWXMAQEDSQWPX-HEUXLASNSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129658
Cc1ccc(NC(=O)C2[C@@H]3CCC=CCCC=CCC[C@@H]23)c(C)c1	ZINC22_3060876,PC-id_20024857	323.472	VNWXMAQEDSQWPX-AQFHOAJTSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129659
Cc1ccc(NC(=O)C2[C@@H]3CC/C=CCC/C=C/CC[C@@H]23)c(C)c1	ZINC22_4697627	323.472	VNWXMAQEDSQWPX-ZOXRFZASSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129660
Cc1ccc(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@H]23)cc1C	ZINC22_239433816	323.472	YNYJWHKSWOEMFB-MSWHRCRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129661
Cc1ccc(NC(=O)[C@H]2[C@H]3CC/C=C/CC/C=CCC[C@@H]23)cc1C	ZINC22_245238685	323.472	YNYJWHKSWOEMFB-NOCDDDFDSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129662
Cc1ccc(NC(=O)[C@@H]2[C@@H]3CC/C=CCC/C=C/CC[C@@H]23)cc1C	ZINC22_245238686	323.472	YNYJWHKSWOEMFB-WKIZAAJZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129663
Cc1ccc(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@@H]23)cc1C	ZINC22_245238687	323.472	YNYJWHKSWOEMFB-YDQYBXDYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129664
Cc1ccc(NC(=O)[C@@H]2[C@H]3CCC=CCCC=CCC[C@@H]23)cc1C	ZINC22_585091371	323.472	YNYJWHKSWOEMFB-AERCQKQUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129665
Cc1ccc(NC(=O)[C@@H]2[C@H]3CCC=CCCC=CCC[C@@H]23)c(C)c1	ZINC22_1559660655	323.472	VNWXMAQEDSQWPX-KXTWHKPSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129666
Cc1ccc(NC(=O)[C@@H]2[C@@H]3CC/C=CCC/C=C/CC[C@@H]23)c(C)c1	ZINC22_245380268	323.472	VNWXMAQEDSQWPX-KIVLHGCHSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129667
Cc1ccc(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@H]23)c(C)c1	ZINC22_245380269	323.472	VNWXMAQEDSQWPX-RFYHQAPCSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129668
Cc1ccc(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@@H]23)c(C)c1	ZINC22_245380270	323.472	VNWXMAQEDSQWPX-RKOIICJPSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129669
Cc1ccc(NC(=O)[C@H]2[C@H]3CC/C=C/CC/C=CCC[C@@H]23)c(C)c1	ZINC22_245380271	323.472	VNWXMAQEDSQWPX-YJCKGHQESA-N	00100000000000110110010000000000000000000000000000000000	22-01-129670
CCN(S(=O)(=O)C1C2C1CCCC2)C(CS(=O)(=O)C)C	EMOLS-id_319244476	323.472	GUGGFBQKEKFLGG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129671
CC(N(S(=O)(=O)C1C2C1CCCC2)CCS(=O)(=O)C)C	EMOLS-id_320080122,MCULE-8433677361	323.472	UPZBZJMRISHYAK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129672
O=C(C1C2C1CC/C=C/CC/C=CCC2)Nc1ccc(cc1C)C	BAS-00402709	323.472	VNWXMAQEDSQWPX-CGXWXWIYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129673
O=C(C1C2C1CC/C=CCC/C=C/CC2)Nc1cccc(c1C)C	TIMTEC3690	323.472	VZJYFAZDSQEGOH-CGXWXWIYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129674
O=C(C1C2C1CC/C=CCC/C=C/CC2)NCCc1ccccc1	SPECS-id_AT-225/NB34313	323.472	FSDMXVOISCPCOM-CIIODKQPSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129675
O=C(C1[C@@H]2[C@H]1CC/C=C/CC/C=C/CC2)Nc1cc(C)ccc1C	PC-id_92914080	323.472	DLKVVNHCTIIWGI-ANCOQLKSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129676
O=C(C1[C@@H]2[C@H]1CC/C=C/CC/C=C/CC2)Nc1cc(C)cc(c1)C	PC-id_92923610	323.472	LNMZCLWEFPNPOD-HWNNCWJRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129677
O=C(Nc1c(c(ccc1)C)C)C1C2C1CC/C=C/CCC=CCC2	PC-id_11836415	323.472	VZJYFAZDSQEGOH-UOBFQKKOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129678
O=C(Nc1c(ccc(c1)C)C)C1C2C1CCC=CCCC=CCC2	PC-id_2894640	323.472	DLKVVNHCTIIWGI-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129679
O=C(Nc1cc(cc(c1)C)C)C1C2C1CCC=CCCC=CCC2	PC-id_2925164	323.472	LNMZCLWEFPNPOD-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129680
O=C(Nc1c(cc(cc1)C)C)C1C2C1CCC=CCCC=CCC2	PC-id_3105179	323.472	VNWXMAQEDSQWPX-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129681
O=C(Nc1c(c(ccc1)C)C)C1C2C1CCC=CCCC=CCC2	PC-id_4005135	323.472	VZJYFAZDSQEGOH-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129682
O=C(Nc1cc(c(cc1)C)C)C1C2C1CC/C=C/CCC=CCC2	PC-id_5285561	323.472	YNYJWHKSWOEMFB-UOBFQKKOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129683
O=C(Nc1c(ccc(c1)C)C)C1C2C1CC/C=C/CCC=CCC2	PC-id_5730057	323.472	DLKVVNHCTIIWGI-UOBFQKKOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129684
O=C(Nc1cc(cc(c1)C)C)C1C2C1CC/C=C/CCC=CCC2	PC-id_5735848	323.472	LNMZCLWEFPNPOD-UOBFQKKOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129685
O=C(Nc1c(cc(cc1)C)C)C1C2C1CC/C=C/CCC=CCC2	PC-id_5755381	323.472	VNWXMAQEDSQWPX-UOBFQKKOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129686
O=C(Nc1c(c(ccc1)C)C)C1[C@H]2[C@H]1CC/C=C/CCC=CCC2	PC-id_11861212	323.472	VZJYFAZDSQEGOH-KEMQUCMJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129687
O=C(Nc1c(cc(cc1)C)C)C1[C@H]2[C@H]1CC/C=C/CCC=CCC2	PC-id_11897449	323.472	VNWXMAQEDSQWPX-KEMQUCMJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129688
O=C(Nc1cc(cc(c1)C)C)C1[C@H]2[C@H]1CC/C=C/CCC=CCC2	PC-id_11900738	323.472	LNMZCLWEFPNPOD-ADGJEXMKSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129689
O=C(Nc1c(ccc(c1)C)C)C1[C@H]2[C@H]1CC/C=C/CCC=CCC2	PC-id_11907027	323.472	DLKVVNHCTIIWGI-KEMQUCMJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129690
O=C(Nc1cc(c(cc1)C)C)C1[C@H]2[C@H]1CC/C=C/CCC=CCC2	PC-id_11907063	323.472	YNYJWHKSWOEMFB-ADGJEXMKSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129691
O=C(Nc1cc(c(cc1)C)C)C1[C@@H]2[C@H]1CCC=CCCC=CCC2	PC-id_1335156	323.472	YNYJWHKSWOEMFB-WCRBZPEASA-N	00100000000000110110010000000000000000000000000000000000	22-01-129692
O=C(Nc1c(cc(cc1)C)C)C1[C@@H]2[C@H]1CCC=CCCC=CCC2	PC-id_23309088	323.472	VNWXMAQEDSQWPX-PMSBKCLSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129693
O=C(Nc1c(c(ccc1)C)C)C1[C@@H]2[C@H]1CCC=CCCC=CCC2	PC-id_5454821	323.472	VZJYFAZDSQEGOH-PMSBKCLSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129694
O=C(Nc1cc(cc(c1)C)C)C1[C@@H]2[C@@H]1CCC=CCCC=CCC2	PC-id_5506436	323.472	LNMZCLWEFPNPOD-AHTKWCMKSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129695
O=C(Nc1cc(cc(c1)C)C)C1[C@H]2[C@@H]1CCC=CCCC=CCC2	PC-id_5506437	323.472	LNMZCLWEFPNPOD-WCRBZPEASA-N	00100000000000110110010000000000000000000000000000000000	22-01-129696
O=C(Nc1cc(cc(c1)C)C)C1[C@H]2[C@H]1CCC=CCCC=CCC2	PC-id_5506438	323.472	LNMZCLWEFPNPOD-OSBQEZSISA-N	00100000000000110110010000000000000000000000000000000000	22-01-129697
O=C(Nc1cc(c(cc1)C)C)C1[C@@H]2[C@@H]1CCC=CCCC=CCC2	PC-id_5506879	323.472	YNYJWHKSWOEMFB-AHTKWCMKSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129698
O=C(Nc1c(ccc(c1)C)C)C1[C@@H]2[C@@H]1CCC=CCCC=CCC2	PC-id_5507846	323.472	DLKVVNHCTIIWGI-CHEUHSMRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129699
O=C(Nc1c(ccc(c1)C)C)C1[C@H]2[C@@H]1CCC=CCCC=CCC2	PC-id_5507847	323.472	DLKVVNHCTIIWGI-PMSBKCLSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129700
O=C(Nc1c(ccc(c1)C)C)C1[C@H]2[C@H]1CCC=CCCC=CCC2	PC-id_5507848	323.472	DLKVVNHCTIIWGI-AQFHOAJTSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129701
O=C(Nc1c(cc(cc1)C)C)C1[C@H]2[C@@H]1CC/C=C/CCC=CCC2	PC-id_7033315	323.472	VNWXMAQEDSQWPX-VQKJWSPZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129702
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O=C(NCCc1ccccc1)C1[C@@H]2CCC=CCCC=CCC[C@@H]12	PC-id_5457318,ZINC22_1559538619	323.472	FSDMXVOISCPCOM-OSBQEZSISA-N	00100000000000110110010000000000000000000000000000000000	22-01-129714
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Ic1ccc(NC(=O)C2[C@@H]3[C@H]2CCCC3)cc1	PC-id_1240092	341.187	VKEPYJHHQDMOMQ-FUNVUKJBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-138577
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O=C(NCCc1ccccc1)C1[C@H]2[C@@H]1CCC=CCCC=CCC2	PC-id_5457317	323.472	FSDMXVOISCPCOM-WCRBZPEASA-N	00100000000000110110010000000000000000000000000000000000	22-01-129717
O=C(NCCc1ccccc1)C1[C@H]2[C@@H]1CC/C=C/CCC=CCC2	PC-id_7720125	323.472	FSDMXVOISCPCOM-NIZYCSOISA-N	00100000000000110110010000000000000000000000000000000000	22-01-129718
O=C(NCCc1ccccc1)C1[C@@H]2[C@@H]1CC/C=C/CCC=CCC2	PC-id_7720126	323.472	FSDMXVOISCPCOM-MHZUNXDXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129719
O=C(NCCc1ccccc1)[C@@H]1[C@H]2CCC=CCCC=CCC[C@@H]12	ZINC22_1559538617	323.472	FSDMXVOISCPCOM-AERCQKQUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129720
O=C(NCCc1ccccc1)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@H]12	ZINC22_257373039	323.472	FSDMXVOISCPCOM-CYMVCMNKSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129721
O=C(NCCc1ccccc1)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_257373040	323.472	FSDMXVOISCPCOM-DWSPVYKRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129722
O=C(NCCc1ccccc1)[C@H]1[C@H]2CC/C=C/CC/C=CCC[C@@H]12	ZINC22_257373041	323.472	FSDMXVOISCPCOM-FUSGFBPCSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129723
O=C(NCCc1ccccc1)[C@@H]1[C@@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_257373042	323.472	FSDMXVOISCPCOM-QWSQCJBSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-129724
CC1CN(C)C(CC1NC1C2C1CN(C2)C(=O)OC(C)(C)C)C	PC-id_107238491	323.474	QFQCMQPXMQUQQI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129725
CC(C)CC1C2N1C(=O)C(NC2C(=O)NC(C)(C)C)CC(C)C	PC-id_87112444	323.474	FUZVHSMDOXKOGV-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-129726
CC(C[C@H]1NC(C(=O)NC(C)(C)C)[C@@H]2N(C1=O)[C@H]2CC(C)C)C	SCHEMBL18807978	323.474	FUZVHSMDOXKOGV-NFIMNEETSA-N	00100000000010000001010000000000000000000000000000000000	22-01-129727
CC(C[C@@H]1NC(C(=O)NC(C)(C)C)[C@@H]2N(C1=O)[C@H]2CC(C)C)C	SCHEMBL18807981,SCHEMBL467005	323.474	FUZVHSMDOXKOGV-CGIAKECWSA-N	00100000000010000001010000000000000000000000000000000000	22-01-129728
CC[C@H](C)[C@H]1C(=O)N2[C@@H]([C@H]2[C@@H](N1)C(=O)NC(C)(C)C)CC(C)C	PC-id_135063298	323.474	SYXODQOWIJPBSD-FBBBUOMUSA-N	00100000000010000001010000000000000000000000000000000000	22-01-129729
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CCN1CCCC(CC1)NC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_107238647	323.474	ASZMHKQYPMNXNP-UHFFFAOYSA-N	00100010000000000100010000000000000000000000000000000000	22-01-129731
CC(NC1C2C1CN(C2)C(=O)OC(C)(C)C)CC1CCCCN1	PC-id_107238586	323.474	BBJNGMZZKLUJNI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129732
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CCN(C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCN(C)C1	ZINC22_585116893	323.474	LQUHWUGRDSKWHP-DAYGRLMNSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129734
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CCN(C[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCN(C)C1	ZINC22_585116895	323.474	LQUHWUGRDSKWHP-RKVPGOIHSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129736
OC(=O)C1C2C1C(=O)N(C2=O)Cc1cccc(c1)Br	PC-id_115009899	324.127	NAFDAFZXGCFFRJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129802
CCN(C[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)[C@H]1CCN(C)C1	ZINC22_585116896	323.474	LQUHWUGRDSKWHP-VKJFTORMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129737
CN1CCC(CC1)C(NC1C2C1CN(C2)C(=O)OC(C)(C)C)C	PC-id_107238382	323.474	XTRVJPQMWYTURK-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129738
CN1CCCC(C1)C(NC1C2C1CN(C2)C(=O)OC(C)(C)C)C	PC-id_107238383	323.474	ZYPCBQZKYQQVGV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129739
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O(C12C(C1CCC(C2)C)(C)C)C[N+]1(C(NCC1)CC=C)CCO	PC-id_69250949,SCHEMBL4944666	323.493	JSTIQSNEOJBVPQ-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-129741
CCCCCCCCCNC(=O)OC(C1CCCC2C1C2)(C)C	PC-id_145603544	323.513	BHFBLZSODVZGHK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129742
CCCCCCCN(CC1CC[C@H]2C(C1)O2)CCCCCCC	SCHEMBL13875777	323.556	UVVUTYPYHHJGEL-KBWCOIMZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129743
CCCCCCCN(CCCCCCC)CC1CCC2C(C1)O2	PC-id_89191727	323.556	UVVUTYPYHHJGEL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129744
ClC(COS(=O)(=O)N1CCC2N(C1=O)C2)(Cl)Cl	PC-id_102174979	323.581	LUSOXZDMNABFQY-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-129745
Clc1c(O)c(C(=O)NC2=CC(=O)[C@]3(O[C@@H]3C2=O)CO)ccc1	PC-id_10782204	323.685	WJXATQQNIQELOK-TZMCWYRMSA-N	00100000000011110000010000000000000000000000000000000000	22-01-129746
Clc1c(O)c(C(=O)NC2=CC(=O)[C@@]3(O[C@@H]3C2=O)CO)ccc1	PC-id_3075330,UNPD160216	323.685	WJXATQQNIQELOK-OCCSQVGLSA-N	00100000000011110000010000000000000000000000000000000000	22-01-129747
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[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1C)Cl	MCULE-6308293022,EMOLS-id_317335678,PC-id_135105671,ZINC22_1704311416	323.728	IRUUAAGGVFDVCK-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129749
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cccc(C)c1Cl	MCULE-9674050969,PC-id_135101842,EMOLS-id_317340043,ZINC22_1704315349	323.728	AHULOXYEAGCYNA-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129750
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(C)ccc1Cl	ZINC22_1704312908,PC-id_135101429,EMOLS-id_317380732,MCULE-7880324623	323.728	DYTKSAWAHBPTLY-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129751
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(C)cc(Cl)c1	MCULE-9989862243,ZINC22_1704312355,EMOLS-id_317359487,PC-id_135099169	323.728	QBBNMCALFORVOW-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129752
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1ccc(cc1)Cl	MCULE-7295853355,EMOLS-id_317328334,PC-id_135111844,ZINC22_1704337122	323.728	VXTPRPJJNXLPGM-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129753
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1cccc(Cl)c1	EMOLS-id_317402372,ZINC22_1704354548,PC-id_135087302,MCULE-5662680560	323.728	GEVKYQWSDVIABJ-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129754
Cc1nc(c(cc1)c1cn(nc1)CC1CC2C(C1)C2(F)F)Cl	SCHEMBL20619337,PC-id_137388735	323.768	BAWVETFXDBJLPG-UHFFFAOYSA-N	00100010100010101001110000000000000000000000000000000000	22-01-129755
COc1ccc(cc1Cl)C(C(=O)O)NC(=O)C1C2C1CCC2	EMOLS-id_72634971,MCULE-1320311223,PC-id_121963032	323.771	GQGRYCAZXDOBIH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129756
OC(=O)COc1ccc(cc1Cl)NC(=O)C1C2C1CCCC2	PC-id_120213417	323.771	MTMPUOUJAVPTRS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129757
CCC12CC(CC1C2C(=O)O)C(=O)NCc1nccnc1Cl	PC-id_121455847,SCHEMBL17893452	323.775	WAJPZVPGDKGNST-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-129758
CCOc1ccc(c(n1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cl	EMOLS-id_318995867	323.775	JCWACXJYKIQZTM-PSLIRLAXSA-N	00100000000010101000010000000000000000000000000000000000	22-01-129759
CCOC(=O)C1C2C1CC(C2)C(=O)NCc1nccnc1Cl	PC-id_121455790,SCHEMBL17893389	323.775	XAFJNNOFWRHYJY-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-129760
CCOC(=O)C1C2C1C(CC2)C(=O)NCc1nccnc1Cl	PC-id_121455812,SCHEMBL17893413	323.775	BWKOXHWYDAKHKF-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-129761
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Clc1cccc(c1)C(=O)N1CC2CC2(C1)C#Cc1ncccn1	SCHEMBL18810287,BindingDB-id_799494	323.776	ZGWFIZXNWYZIIW-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-129764
Clc1ccc(cn1)C(=O)N1CC2CC2(C1)C#Cc1ccccn1	BindingDB-id_799493,SCHEMBL18810446	323.776	VXECEOVRTRIWBW-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-129765
Clc1ccnc(c1)C(=O)N1CC2CC2(C1)C#Cc1ccccn1	SCHEMBL18811540,BindingDB-id_799492	323.776	YERWDFNZJKSTHI-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-129766
Clc1cncc(c1)C(=O)N1CC2CC2(C1)C#Cc1ccccn1	BindingDB-id_799491,SCHEMBL18811541	323.776	KTSTZYAYOJYVDV-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-129767
Clc1sc(S(=O)(=O)NC2C3C2CNC3)cc1[N+](=O)[O-]	PC-id_80741941	323.776	QSGIHWVEAJRCHO-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-129768
OC[C@]12C[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl	MCULE-3812677388,EMOLS-id_320035621	323.79	BEQXRQHCEWOEHZ-BDBYMAIGSA-N	00100000000010110000110000000000000000000000000000000000	22-01-129769
Clc1cc(ccc1c1ccn[nH]1)S(=O)(=O)N1CC2C(C1)C2	SCHEMBL21407141,PC-id_139532574	323.798	VVKCXNKRAWPBRC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-129770
CC(C)(C)OC(=O)N1CCC2(C(C1)O2)Cc1ccc(cc1)Cl	SCHEMBL3645115,PC-id_87551044	323.814	XOKUNEQDPYZXTI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129771
CCC(C(=O)N1CCC[C@H]2[C@]1(CO)C2)Oc1ccccc1Cl	EMOLS-id_319551972	323.814	KXYHPQXSPBCKRX-ZYFOBHMOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129772
Clc1cccc(c1)OCC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_69405846,SCHEMBL5324970	323.814	RJBIGNCFYLEYMT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129773
Clc1cccc(c1)OCC1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_69405848,SCHEMBL5324981	323.814	RJBIGNCFYLEYMT-YIONKMFJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129774
Clc1cccc(c1)OC[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C	SCHEMBL5324977	323.814	RJBIGNCFYLEYMT-QDMKHBRRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129775
Clc1ccc(C(O)C23N(CCC2C3)C(=O)OC(C)(C)C)cc1	PC-id_10471463	323.814	NJHBLIIJUURSCD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129776
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C/C=C(/N1CC2C(C1)C2/C(=N/OC(=O)CCl)/N)C=C/C(=C)C	PC-id_142422227	323.818	BSTMYXBSJXFABZ-VWXLBWAMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129779
C/C=C(/N1CC2C(C1)C2/C(=N/OC(=O)CCl)/N)C=C(/C=C)C	PC-id_142422760	323.818	YPKIQHUOYDENGK-RECYIEQESA-N	00100010000000000000010000000000000000000000000000000000	22-01-129780
C1[C@@H]2C(O2)[I-]C1[IH+]	PC-id_163679757	323.851	NHVYRNKNTMDUPX-KFVOUYQTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129781
C1[C@H]([C@H]2N[I]2N1)I	PC-id_164153230	323.862	ZGLMYLGLRULPPR-PWNYCUMCSA-N	00100010000000000001010000000000000000000000000000000000	22-01-129782
C1C2C1N(C(C2)C(=O)NC3=NC(=CC=C3)Br)C(=O)[O-]	PC-id_154170314	323.999	DRUHVJUCCIFSFU-UHFFFAOYSA-M	00100010000000101000010000000000000000000000000000000000	22-01-129783
Clc1cc(Cl)c(c(c1C(=O)C1C2C1CCC2)Cl)Cl	PC-id_113706212	324.03	CPYCQDXXERFLOX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129784
Clc1cc(Cl)c(c(c1C(=O)C1CC2C(C1)C2)Cl)Cl	PC-id_113706195	324.03	HMRLJOIXUBZJRN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129785
CC1CC(C=C2CC2=C1O)(C)OC(=O)C(F)(F)S(=O)(=O)O	PC-id_163757356	324.048	LVFOHARLVXKZQT-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-129786
CC(=C)[C@H]1C[C@@H](O)[C@]2([C@@H](C1)C2(Br)Br)C	PC-id_101976768	324.052	NAYDDLJLXFCBGO-ZYUZMQFOSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129787
CCC(C1C(NC2C(N1)O2)C)C(CC)I	PC-id_164005669	324.07	UMUXQOJMDHGQTD-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-129788
BrC1(Br)C2(C1CCCCC2)C(C)(C)C	PC-id_13719768	324.095	GKZCITCIJXVAEH-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-129789
BrC1(Br)C2C1CCCCCCCCC2	PC-id_12759804	324.095	JZZRBHRQUHDHGE-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-129790
CC1=CC=C(C=C1)OSC2(CCC3C(C3(C2=O)Cl)(C)C)C	PC-id_153880485	324.095	PDVUIBXGDWPFMV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129791
CC(C1CCC2(C(C1)C2(Br)Br)C)(C)C	PC-id_117069466	324.095	JCQRELBEFVRAHG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129792
CC([C@@H]1CC[C@@]2([C@@H](C1)C2(Br)Br)C)(C)C	PC-id_98163884	324.095	JCQRELBEFVRAHG-FXPVBKGRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129793
CC([C@@H]1CC[C@]2([C@@H](C1)C2(Br)Br)C)(C)C	PC-id_98163886	324.095	JCQRELBEFVRAHG-KKZNHRDASA-N	00100000000010000000010000000000000000000000000000000000	22-01-129794
C1CC2C(O2)CC1CC[SiH2]O[SiH](C3=CC=CC=C3)O[SiH3]	PC-id_153834139	324.103	AOQBJOOGDCXYFY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129795
CC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)OC1C(C(C2[C@@H](O2)O1)O)O)O)O	PC-id_163765978	324.106	MCHZLJOMLIUCOO-SORYNXCUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129796
I[C@@]12[C@@](C1)(C(=O)O[C@]2(CC)C)C(=O)OC	PC-id_11551561	324.112	QDSHBPHRVXZBQF-AEJSXWLSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129797
IC12C(C1)(C(=O)OC2(CC)C)C(=O)OC	PC-id_73004257	324.112	QDSHBPHRVXZBQF-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129798
ICCOC(=O)C1C2C1C(CC2)C(=O)O	PC-id_141104372	324.112	DSPQOTMREZIARR-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129799
CC(C)(C)OC(=O)N1[C@@H](C[C@@H]2[C@H]1C2)COC3=CN=C(C=C3)Cl	PC-id_154721373	324.124	XIGQOFVSMARVDZ-GMXVVIOVSA-N	00100010000000101000010000000000000000000000000000000000	22-01-129800
O=C1N(Cc2ccc(cc2Br)C(=O)O)C(=O)C2C1C2	PC-id_113734005	324.127	YEHHKDSJKYVSIM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129801
OC(=O)C1C2C1C(=O)N(C2=O)Cc1ccccc1Br	PC-id_115009926	324.127	SUOWEHOLQZMMTL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129803
OC(=O)C1C2C1C(=O)N(C2=O)Cc1ccc(cc1)Br	PC-id_115009950	324.127	HVMAHNSORMYWMG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129804
C1=CC=C(C=C1)COCC2=C[C@H]([C@H]3C(O3)O2)OCC4=CC=CC=C4	PC-id_149425867	324.136	YUBYNQJMKAGHAN-LFPSWIHMSA-N	00100000000011110000010000000000000000000000000000000000	22-01-129805
Br[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1nccn1CC(F)(F)F	EMOLS-id_316963683,MCULE-6424673641	324.14	CVJCXRSNHAAMHJ-MBTKJCJQSA-N	00100010100000000001010000000000000000000000000000000000	22-01-129806
C=CC(=O)NC1[C@H]2[C@@H]1CN(CC2)CC3=CC=C(C=C3)C(F)(F)F	PC-id_165172961	324.145	WNBFWCAGGOPMOM-CNYCQXTOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129807
CC1C2C1C(CC2N/C=C(/C3=CC(=C(C(=C3)C)F)F)N)SC	PC-id_153563644	324.147	SPZWKHRKWFAVEK-GHXNOFRVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129808
C1CC2C(O2)CC1CC(=O)OCC(=O)OCC3CCC4C(C3)O4	PC-id_164745527	324.157	YYDMPBYJNSFKIM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129809
IC1=CC2C(C=C1)(C2)OCc1ccccc1	PC-id_143447150	324.157	YUQKNVQKIDBBJS-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-129810
CCCC1=CC(=C2C(=C1OCC[Si](C)(C)[Si](C)(C)C)O2)O	PC-id_153711818	324.158	WRAXZKDFKBWHPE-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-129811
Cc1nc(c(cc1)c1ncccn1)C(=O)N1C[C@@H]2CC2CC1CO	PC-id_163945211	324.159	RUMBGYFVPDWQMP-MOKVOYLWSA-N	00100000000010101001110000000000000000000000000000000000	22-01-129812
COC(=O)C1=NC=CC(=N1)NC2[C@H]3[C@@H]2CN(C3)CC4=CC=CC=C4	PC-id_154769693	324.159	QJHOQKTWAUPSSZ-MZBDJJRSSA-N	00100010000000110001010000000000000000000000000000000000	22-01-129813
IN1C[C@H]2[C@@](C1)(C2)NC(=O)OC(C)(C)C	SCHEMBL21335537,PC-id_139469630	324.159	PFVMFVZHJSWSMZ-XVKPBYJWSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129814
CN(C)C1[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CC=NN3CC4CCC4	PC-id_154784251	324.162	AUIFPAAUNPKWOL-NNQSOWQGSA-N	00101010100000000001010000000000000000000000000000000000	22-01-129815
Brc1cc(c(NC(=O)C2C3C2CCC3)cc1)C(=O)O	PC-id_81625033	324.17	FFJWGHMBHZDZOM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129816
Brc1cc(c(NC(=O)C2CC3C(C3)C2)cc1)C(=O)O	PC-id_80466111	324.17	DPGVXADMRIYLBD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129817
Brc1cc(NC(=O)C2C3C2CCC3)c(cc1)C(=O)O	PC-id_81624050	324.17	LCWFOKLSOJPDID-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129818
Brc1cc(NC(=O)C2C3C2CCC3)cc(c1)C(=O)O	PC-id_81624548	324.17	JJLXDAZRAGDJSA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129819
Brc1cc(NC(=O)C2CC3C(C3)C2)c(cc1)C(=O)O	PC-id_80466417	324.17	LMYCZQCTPRZNNK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129820
Brc1cc(NC(=O)C2CC3C(C3)C2)cc(c1)C(=O)O	PC-id_81561062	324.17	FXFATSBKNWKIJB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129821
Brc1c(NC(=O)C2C3C2CCC3)ccc(c1)C(=O)O	PC-id_81624356	324.17	AQLWKRQNWUIBKV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129822
Brc1c(NC(=O)C2C3C2CCC3)c(ccc1)C(=O)O	PC-id_81625035	324.17	KFRBITOBHWXBRS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129823
Brc1c(NC(=O)C2CC3C(C3)C2)c(ccc1)C(=O)O	PC-id_80466194	324.17	DGPJQSKWGYMQAD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129824
Brc1c(NC(=O)C2CC3C(C3)C2)ccc(c1)C(=O)O	PC-id_80466323	324.17	UOLMSPGYMVXVKX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129825
C1C2C1NC(C2)C(=O)OCC(=O)c1ccc(cc1)Br	PC-id_90053868	324.17	JXHLUIPVLJTJCL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129826
COC(=O)c1ccc(cc1Br)CN1CC2C(C1=O)C2	SCHEMBL18795071	324.17	MTPPWWGDYBCMCL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129827
O=C(C1C2C1CCC2)Nc1cc(ccc1Br)C(=O)O	PC-id_107812526	324.17	APXXOXWXUQBHIG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129828
O=C(C1CC2C(C1)C2)Nc1cc(ccc1Br)C(=O)O	PC-id_114003825	324.17	NHNAEMKJPINZAJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129829
O=C(C1CC2C(C1)C2)Nc1ccc(c(c1)C(=O)O)Br	PC-id_113281069	324.17	AZXANICOVVIHBJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129830
O=C([C@@H]1CC2C(N1)C2)OCC(=O)c1ccc(cc1)Br	SCHEMBL15586341	324.17	JXHLUIPVLJTJCL-NHNAUAITSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129831
Brc1ccc(nc1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319414631	324.173	RTIHRNZWRZUAEX-OQPBUACISA-N	00100000000010101000010000000000000000000000000000000000	22-01-129832
CC(=CC=CC12C(CC=CC1(O2)C)(C)C)C(=O)OC3=CC=CC=C3	PC-id_154259439	324.173	FZBWFWSXOALMGC-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-129833
CC(=CC(=O)OC1=CC=CC=C1)C=CC23C(CC=CC2(O3)C)(C)C	PC-id_154168750	324.173	WYZHNAHGLINIBC-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-129834
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ncccc1Br	EMOLS-id_319132998	324.173	BEKMTGSNZAIZRU-OQPBUACISA-N	00100000000010101000010000000000000000000000000000000000	22-01-129835
O=C([C@@H]1[C@@H]2[C@H]1COC2)N1CC(C1)c1ncc(cn1)Br	EMOLS-id_319423329	324.173	UONYYXFWEPPRHF-URLYPYJESA-N	00101010000000100001110000000000000000000000000000000000	22-01-129836
FC(F)(COC(=O)C1CC2OC2CC1)C(F)(F)C(F)(F)F	PC-id_58895068,SCHEMBL14490160	324.192	OXFGGJAGLHDHIF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129837
C1C2C(C2NNC(c2ccncc2)N[NH2+]c2ccncc2)C=CN1	PC-id_163770332	324.193	MFWDEXKRAYAFFQ-UHFFFAOYSA-O	00100000000011101000010000000000000000000000000000000000	22-01-129838
C1CC2C(C2CNC(=O)OCCOCCOCCN)CCC#C1	PC-id_154608058	324.205	LKLLIRCSIAAJNJ-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-129839
C1CC2C(C2COC(=O)NCCCC[C@@H](C(=O)O)N)CCC=C1	PC-id_163719189	324.205	KQANFNDPPXCHSL-BOADVZGGSA-N	00100000000000000110010000000000000000000000000000000000	22-01-129840
C
CC2C(C2COC(=O)NCCCC[C@@H](C(=O)O)N)CC/C=C1	PC-id_164766022	324.205	KQANFNDPPXCHSL-OMUAXMEXSA-N	00100000000000000110010000000000000000000000000000000000	22-01-129841
CC1(CC(C=C2CC2(C1)OC)(C)OCCC(=O)C(=NC)N)OC	PC-id_163941507	324.205	RRJXFIMQUKYLCX-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-129842
CC(C)(C)OC(=O)N[C@@]12C[C@@H]1C=CCN(C2)C(=O)OC(C)(C)C	PC-id_155155613	324.205	RDRQMQIWZLDREB-YVEFUNNKSA-N	00100000000000000110010000000000000000000000000000000000	22-01-129843
CC(C)(C)OC(=O)NC1(CCN(C1)CC2CC3CC3C2)C(=O)O	EMOLS-id_317740433,MCULE-5798703648,PC-id_154734015	324.205	NRTXDQXCRZRWEL-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129844
CC(=O)C12C(C1(C)C)CN(C2C(=O)OC)C(=O)[C@H](C(C)(C)C)N	PC-id_165179487	324.205	YNUALLKFDQFMSE-UGZZBNRLSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129845
COCCC(=O)NCCNC(=O)OCC1[C@H]2[C@@H]1CCC=CCC2	PC-id_149506710	324.205	ZIBACXUFSLHCPN-YIONKMFJSA-N	00100000000000000110010000000000000000000000000000000000	22-01-129846
C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4CC5CC5C4	PC-id_154687196	324.206	VRTMXEBIPZQYTP-UHFFFAOYSA-N	00100010100010100001110000000000000000000000000000000000	22-01-129847
Brc1cc(ccc1CN1CC2C(C1)C2(C)C)C(=O)O	MCULE-2072777944,EMOLS-id_317961029	324.213	GGELGCFXOVNLFA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129848
Brc1cc(c(NC(=O)C2CC3C(C3)C2)c(OC)c1)C	PC-id_80471712	324.213	FMMRDHHLQYYTDZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129849
Brc1cc(NC(=O)C2C3C2CCCC3)c(OC)cc1	PC-id_79167028	324.213	AKRUUOFZYLWJLG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129850
Brc1c(c(NC(=O)C2CC3C(C3)C2)ccc1)COC	PC-id_80473588	324.213	ZCEHNIITTDNSRO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129851
Brc1c(NC(=O)C2C3C2CCCC3)cc(OC)cc1	PC-id_79209751	324.213	UVONKEDGYOWIGD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129852
BrC(C1C2C1CCCC2)Cc1ccc([N+](=O)[O-])cc1	PC-id_81636255	324.213	WIOGJFVMUBKGCQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129853
BrC(C1C2C1CCCC2)Cc1c([N+](=O)[O-])cccc1	PC-id_81637552	324.213	XLRYJQXNWYEUGF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129854
CC12CCN(CC1C2Br)C(=O)OCc1ccccc1	EMOLS-id_331254599	324.213	KTQSTWDFHZCERU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129855
COC(=O)C1(CCCC2C1C2)Nc1cccc(c1)Br	PC-id_112740296	324.213	PHKKTICHHULNIH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129856
OC[C@]12C[C@H]1CCCN2C(=O)c1cc(Br)ccc1C	EMOLS-id_319021826	324.213	NEGRXALUMYVMCK-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129857
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1)Br)C	EMOLS-id_318855939	324.213	YKFYXKYDVFUTSD-IUODEOHRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129858
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1Br)C	EMOLS-id_319798205	324.213	VKNQXGSXADMPCD-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129859
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1C)Br	EMOLS-id_320182008,MCULE-1222808786	324.213	OKBFXILJBXFGGN-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129860
OC[C@]12C[C@H]1CCCN2C(=O)c1cc(C)cc(c1)Br	EMOLS-id_318860433	324.213	GHSDJLSSZCBAII-IUODEOHRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129861
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccccc1Br	EMOLS-id_319175053	324.213	LOOLHSVUAYQLAJ-IUODEOHRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129862
OC[C@]12C[C@H]1CCCN2C(=O)Cc1cccc(c1)Br	EMOLS-id_319249765	324.213	BCXABIUVTWHAOY-IUODEOHRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129863
OC(=O)c1cccc(c1CN1CC2C(C1)C2(C)C)Br	MCULE-7901845480,EMOLS-id_318009920	324.213	RTIJJYOMFKIXPQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129864
OC(=O)C(c1cccc(c1)Br)N1CC2C(C1)C2(C)C	MCULE-5411420002,EMOLS-id_318207616	324.213	FWYIHXZOGOINGR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129865
OC(=O)C(c1ccccc1Br)N1CC2C(C1)C2(C)C	MCULE-5613424627,EMOLS-id_318142113	324.213	LQJKMUXBSAEMNP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129866
O=S(=O)(N[C@@H]1[C@H]2COC[C@@H]12)c1sccc1Br	EMOLS-id_100359468,ZINC22_330054354,MCULE-8998559473	324.215	RVKRAVAKQNRYCW-BDINMYNLSA-N	00100010100100000000010000000000000000000000000000000000	22-01-129867
Brc1cnc(nc1)CCN(C(=O)[C@@]12CCC[C@@H]1C2)C	EMOLS-id_319227463	324.216	FPBSNLUVMJDQBM-QMTHXVAHSA-N	00100010000010100001010000000000000000000000000000000000	22-01-129868
C[C@H]1[C@H]2C[C@H]2[C@H](CC1N(C1CCCC1)N)C(=O)NCC(=O)NO	PC-id_163829385	324.216	OCJBWTYQJNPPLQ-CUJWFFCPSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129869
C[C@H](NC(=O)NC1C[C@@H]2C[C@H]2C1)c1ccc(Br)cn1	ZINC22_333316851	324.216	AFUNGBGVTQPCLH-GUBZILKMSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129870
C[C@H](NC(=O)NC1C[C@H]2C[C@@H]2C1)c1ccc(Br)cn1	ZINC22_333316854	324.216	AFUNGBGVTQPCLH-IVZWLZJFSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129871
C[C@H](NC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(Br)cn1	ZINC22_333316852	324.216	AFUNGBGVTQPCLH-GUDRVLHUSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129872
C[C@@H](NC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(Br)cn1	ZINC22_333316856	324.216	AFUNGBGVTQPCLH-MWGHHZFTSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129873
CN(C(=O)C1C2C1CCC2)CCc1ncc(cn1)Br	EMOLS-id_318833849	324.216	NNXPSMOLHUUQNV-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-129874
O=C(C(c1ccc(cc1)Br)(N)C)NC1C2C1CNC2	PC-id_121825863	324.216	JFXOBMZYBOMUFY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129875
O=C(NC(c1ccc(cn1)Br)C)NC1CC2C(C1)C2	EMOLS-id_102203410,MCULE-6588581718	324.216	AFUNGBGVTQPCLH-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129876
CCC1CCCCCC2(C(O2)C(COC(=O)CCCC1=O)C)C	PC-id_154222547	324.23	VFHUYDXKMUCBFI-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-129877
C1C[C@@H]2[C@@H](C2CCC(=O)NCCOCCOCCN)CCC=C1	SCHEMBL19246166,PC-id_163556871	324.241	FNUYLSNUXAORES-SJPCQFCGSA-N	00100000000000000110010000000000000000000000000000000000	22-01-129878
CN(CCC1CCC2C(C1)O2)ON(C)CCC1CCC2C(C1)O2	PC-id_163841850	324.241	OMRROJGKZDXNPZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129879
Clc1cc(C2N(C(=O)C3CC4C(C4)C3)CCC2)ccc1Cl	PC-id_80470344	324.245	KCWKSQPOEMAAPY-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-129880
Clc1cc(CN(C(=O)C2CC3C(C3)C2)C2CC2)ccc1Cl	PC-id_80470249	324.245	XCLDKWDXXSHHNS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129881
Brc1c(CC2(CC3C(C3)C2)CNC)cc(OC)cc1	PC-id_80470107	324.256	TWNWAHCCYLETQO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129882
Brc1cc(CC2(CC3C(C3)C2)CNC)ccc1OC	PC-id_80469885	324.256	URUKDXOLELSSGC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129883
Brc1cc(CC2(CC3C(C3)C2)CNC)c(OC)cc1	PC-id_80469690	324.256	XKZPXBFEHJXZJO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129884
Brc1ccc(C(C(O)C2C3C2CCCC3)CN)cc1	PC-id_81632756	324.256	IQMPKSCDPCTDHT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129885
Brc1cc(C(C(O)C2C3C2CCCC3)CN)ccc1	PC-id_81632514	324.256	WYXVPVCKNIVDKM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129886
Brc1cc(C(N)C2C3C2CCCC3)c(OC)cc1C	PC-id_81631422	324.256	NDFAGRUYPSZYAH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129887
Brc1cc(C(N)C2C3C2CCCC3)c(OCC)cc1	PC-id_81623942	324.256	XLZVSQZHPSLUEL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129888
Brc1cc(C(NC)C2C3C2CCC3)c(OC)cc1C	PC-id_81631532	324.256	BSRFHOIDCWFIPX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129889
Brc1cc(C(NC)C2C3C2CCC3)c(OCC)cc1	PC-id_81624525	324.256	YZPQNTQPMDMDKQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129890
Brc1cc(C(NC)C2C3C2CCCC3)ccc1OC	PC-id_81624123	324.256	HURPHOJUTLIOHD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129891
Brc1cc(C(NC)C2C3C2CCCC3)c(OC)cc1	PC-id_81623945	324.256	MKXYJYWCJZDNCX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129892
Brc1cc(C(NC)C2CC3C(C3)C2)c(OC)cc1C	PC-id_80468713	324.256	YTHIJPOHXYOELL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129893
Brc1cc(C(NC)C2CC3C(C3)C2)c(OCC)cc1	PC-id_80468438	324.256	SWDMXCZARCEULW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129894
Brc1cc(C(NCC)C2C3C2CCC3)ccc1OC	PC-id_81624612	324.256	GXTRXFKAWGVFCD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129895
Brc1cc(C(NCC)C2C3C2CCC3)c(OC)cc1	PC-id_81624613	324.256	OITHRNZITZOWDP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129896
Brc1cc(C(NCC)C2CC3C(C3)C2)ccc1OC	PC-id_80468501	324.256	XRGHYSASOYGNAY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129897
Brc1cc(C(NCC)C2CC3C(C3)C2)c(OC)cc1	PC-id_80468526	324.256	WUZYUJTZRPALHL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129898
Brc1c(C(C(O)C2C3C2CCCC3)CN)cccc1	PC-id_81631944	324.256	RHEOPPDYBXYMTL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129899
Brc1ccc(OCCC2(CC3C(C3)C2)CNC)cc1	PC-id_80469718	324.256	WRDIOHPBPFOBQI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129900
Brc1c(C(N)C2C3C2CCCC3)ccc(OCC)c1	PC-id_81631237	324.256	NHSPPNWXHKJLRR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129901
Brc1c(C(NC)C2C3C2CCC3)ccc(OCC)c1	PC-id_81631319	324.256	HUKGZQYFGYRWHR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129902
Brc1c(C(NC)C2C3C2CCCC3)ccc(OC)c1	PC-id_81631129	324.256	GEYNBIOMHBXXGO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129903
Brc1c(C(NC)C2CC3C(C3)C2)ccc(OCC)c1	PC-id_80468494	324.256	FHYIMXOQOOQFLT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129904
Brc1c(C(NCC)C2C3C2CCC3)ccc(OC)c1	PC-id_81631218	324.256	UXVYOZKHWQDZFO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129905
Brc1c(C(NCC)C2CC3C(C3)C2)ccc(OC)c1	PC-id_80468760	324.256	USXOAEUWHVKQKD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129906
Brc1cc(OCCC2(CC3C(C3)C2)CNC)ccc1	PC-id_80469780	324.256	VLYXGPIIVXLBDO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129907
BrCC1(CC2C(C2)C1)Cc1ncc(c(OC)c1C)C	PC-id_80473426	324.256	JJRHDAVROYXMFX-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-129908
CCCOc1ccc(cc1Br)C(C1C2C1CCC2)N	PC-id_104657812	324.256	YKFCXOCURIYKLV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129909
CCCOc1ccc(cc1Br)C(C1CC2C(C1)C2)N	PC-id_104657768	324.256	GFIPXDGIJKAFKF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129910
CCOc1ccc(cc1Br)C(C1C2C1CCC2)NC	PC-id_104657481	324.256	FPXWXUCOUXADHN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129911
CCOc1ccc(cc1Br)C(C1C2C1CCCC2)N	PC-id_104657407	324.256	BTYPYXGJRQCEIR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129912
CCOc1ccc(cc1Br)C(C1CC2C(C1)C2)NC	PC-id_104657436	324.256	SAIBVCRJVAIIRO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129913
CNC(C1C2C1CCC2)Cc1cc(Br)ccc1OC	PC-id_115816833	324.256	ZCCXNMFBTINTHD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129914
CNC(C1C2C1CCC2)Cc1ccc(c(c1)Br)OC	PC-id_115817756	324.256	BCEKCMYIWDIBMX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129915
CNC(C1C2C1CCC2)Cc1cc(OC)ccc1Br	PC-id_115862142	324.256	MFMLQSCXFQEXEY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129916
CNC(C1CC2C(C1)C2)Cc1cc(Br)ccc1OC	PC-id_115816854	324.256	WLIGDGKGSGULSY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129917
CNC(C1CC2C(C1)C2)Cc1ccc(c(c1)Br)OC	PC-id_115817769	324.256	XZTGFUJQBMHLAV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129918
CNC(C1CC2C(C1)C2)Cc1cc(OC)ccc1Br	PC-id_115862148	324.256	XCSHIIKWNSMFDR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129919
COc1ccc(cc1Br)CC(C1C2C1CCCC2)N	PC-id_115818247	324.256	SOWHYYUZHUZCDI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129920
COc1ccc(cc1CC(C1C2C1CCCC2)N)Br	PC-id_115817625	324.256	FJGNFNKMRAOZPA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129921
COc1ccc(c(c1)CC(C1C2C1CCCC2)N)Br	PC-id_115862407	324.256	RSNCVNQBTKXTML-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129922
COc1c(C)cc(c(c1C(C1C2C1CCC2)N)C)Br	PC-id_104051723	324.256	AZOYKQJPDOWROI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129923
COc1c(C)cc(c(c1C(C1CC2C(C1)C2)N)C)Br	PC-id_104051657	324.256	PVYXHEZWNUBBOX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129924
OCCC(c1ccccc1Br)NC1CCC[C@@H]2[C@H]1C2	EMOLS-id_318165941	324.256	LKPJCRILEJZFMA-VZVMWQMNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129925
OC(=O)C1(c2c1cccc2)[N+](CC(=O)O)(CC(=O)O)CC(=O)O	PC-id_54009028	324.263	IGUVMCZFOYMRSA-UHFFFAOYSA-O	00100000000000100000010000000000000000000000000000000000	22-01-129926
FC(F)(F)c1cc(CNC2C3C2CNC3)cc(c1)C(F)(F)F	PC-id_75306696	324.265	CFISKLOPDGMHPC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129927
FC(F)(F)c1cc(CNC2[C@H]3[C@@H]2CNC3)cc(c1)C(F)(F)F	PC-id_49856171	324.265	CFISKLOPDGMHPC-FOSCPWQOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129928
[O-]C1=NC(=O)C2(C1(C2C(=O)c1cc(OC)c(OC)cc1)C#N)C#N	PC-id_75695275	324.268	IVUCFDUKOWINOW-UHFFFAOYSA-M	00100011000000110000010000000000000000000000000000000000	22-01-129929
[O-]C1=NC(=O)[C@@]2([C@]1([C@@H]2C(=O)c1cc(OC)c(OC)cc1)C#N)C#N	PC-id_51688790	324.268	IVUCFDUKOWINOW-DVSIDAKKSA-M	00100011000000110000010000000000000000000000000000000000	22-01-129930
O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCC2C(C1)O2	PC-id_140750715	324.275	OERKMEOQJOYNQR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129931
C(C1C2C(O2)C(C(O1)OC1C(OC(C(C1O)O)O)CO)O)O	PC-id_89321186,SCHEMBL14388342	324.281	ZDOGZUGLQBWFAM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129932
CC1C(C(C(C(O1)O)O)O)OC12C(O1)C(C(C(O2)CO)O)O	PC-id_88907823,SCHEMBL12336866	324.281	DKVSSCJBALHNHR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129933
C(C1C(C(C(O1)(CO)OC1C(C2C(O2)C(O1)CO)O)O)O)O	PC-id_89467299	324.281	IYFMLXAPVMALKN-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129934
OC[C@H]1O[C@@](C([C@H]1O)O)(CO)O[C@H]1OC(CO)[C@@H]2C([C@@H]1O)O2	SCHEMBL14816807	324.281	IYFMLXAPVMALKN-QPRJZENRSA-N	00100010000010000000010000000000000000000000000000000000	22-01-129935
COc1cc(/C=C/C(=O)OC2OC3OC3C(C2O)O)ccc1O	PC-id_139404417,SCHEMBL21261297	324.283	ZOTVDURGYTYFOL-HWKANZROSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129936
O=C1OCC(O1)COc1cccc(c1)OCC1COC2C(O1)O2	PC-id_145340208	324.283	YLSDFEUETSTJME-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-129937
[As](C1C2C1CCCC2)(c1ccccc1)c1ccccc1	PC-id_13307658	324.292	GJOHLPDSNVYEPW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129938
S(=O)(=O)(c1c(NC2C3C2CNC3)ccc(F)c1)C(F)(F)F	PC-id_62893012	324.294	DAHATERNQVGFMI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129939
N#CCOc1ccc(cc1)CC(=O)N1C[C@@H]2[C@H](C1)C2C(F)(F)F	PC-id_138999091	324.298	CCDVXJIWKBLBHK-NNQSOWQGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129940
N#CCOc1ccc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(F)(F)F)cc1	EMOLS-id_320367624,MCULE-1754387119,ZINC22_1776002246	324.298	CCDVXJIWKBLBHK-NHAGDIPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129941
FC1(C2C1CC(OCc1cc(N)ccc1)C2(N)C(=O)O)C(=O)O	PC-id_21071978	324.304	YTISARNMMVSRDV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129942
F[C@]1(C2C1CC(OCc1cc(N)ccc1)C2(N)C(=O)O)C(=O)O	PC-id_49823809	324.304	YTISARNMMVSRDV-ZPZKJRJUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129943
Nc1cccc(CO[C@@H]2C[C@@H]3[C@H]([C@]2(N)C(=O)O)[C@@]3(F)C(=O)O)c1	SCHEMBL4968477,CHEMBL186891,PC-id_11393152,BindingDB_PC-id_11393152	324.304	YTISARNMMVSRDV-ZNLHFFCSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129944
CC(COP1(=O)CC[C@@H]2[C@H]1C2C(=O)OCc1ccccc1)O	SCHEMBL18860470	324.309	OMHYNFLMMALYGE-DZPCASNGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129945
O=C(c1ccccc1)OC1(C)C(C)C2C(C1C)(C2)P(=O)(O)O	SCHEMBL12151612,PC-id_58521390	324.309	OUBAILNVLYASTD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129946
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1c[nH]c(c1)C(F)(F)F	EMOLS-id_320074085,MCULE-2583739981	324.319	NOTXMPJUROKBDN-LDYMZIIASA-N	00100000110010000000010000000000000000000000000000000000	22-01-129947
Cc1n[nH]cc1S(=O)(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2	ZINC22_1775960723,MCULE-6862797857,EMOLS-id_316741321	324.323	IAJVBNMHRYHFCD-NXEZZACHSA-N	00100010100000000001010000000000000000000000000000000000	22-01-129948
CC(=O)N1C[C@@H]2C[C@@]2(C(=O)NCc2cccc(OC(F)F)c2)C1	ZINC22_1776008206	324.323	RARFRUMMVFQUCN-BLLLJJGKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129949
CC(=O)N1C[C@@H]2C[C@]2(C(=O)NCc2cccc(OC(F)F)c2)C1	ZINC22_1776008207	324.323	RARFRUMMVFQUCN-LRDDRELGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129950
CC(=O)N1C[C@H]2C[C@@]2(C(=O)NCc2cccc(OC(F)F)c2)C1	ZINC22_1776008208	324.323	RARFRUMMVFQUCN-MLGOLLRUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129951
CC(=O)N1C[C@H]2C[C@]2(C(=O)NCc2cccc(OC(F)F)c2)C1	ZINC22_1776008209	324.323	RARFRUMMVFQUCN-WBMJQRKESA-N	00100010000000110000010000000000000000000000000000000000	22-01-129952
Cn1cc(S(=O)(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cn1	EMOLS-id_316740811,MCULE-2197888284,ZINC22_1615058734	324.323	QFOIBXQQHHRNIT-NXEZZACHSA-N	00100010100000000001010000000000000000000000000000000000	22-01-129953
Cn1cnc(S(=O)(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)c1	EMOLS-id_316743114,MCULE-5551005357,ZINC22_1614423245	324.323	UFCZDMSQKPQZRK-NXEZZACHSA-N	00100010100000000001010000000000000000000000000000000000	22-01-129954
FC(Oc1cccc(c1)CNC(=O)C12CN(CC1C2)C(=O)C)F	EMOLS-id_320340601,MCULE-4962961078,PC-id_139021916	324.323	RARFRUMMVFQUCN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129955
O=C(N1C2CC2N(C1=O)Cc1cc(F)ccc1F)OC(C)(C)C	SCHEMBL18640599	324.323	JXNGGNGOSXRCRY-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-129956
O=C(N1CCC2(C(C1)C2(F)F)C)NCc1ccc(cc1)C(=O)O	PC-id_122020128	324.323	IFQHKFWNHHKIIG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-129957
CC1(C2(C1(OC(C2(C(=O)c1ccccc1)O)C(CO)O)O)O)C	PC-id_91432079	324.326	HBQYIZRNBKDPTP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129958
OCCn1ncc(c1)c1noc(n1)CC12CCCCC1C2(F)F	EMOLS-id_318791048	324.326	MOQQZRDMXKSMQM-UHFFFAOYSA-N	00100000100010000001110000000000000000000000000000000000	22-01-129959
CCC12CCC(C2(C1)OC(=O)O)Oc1nc(OC)cc(n1)OC	SCHEMBL9412098,PC-id_67845636	324.329	DAKYQOOGGBVXEI-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-129960
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)ON1C(=O)CCC1=O	EMOLS-id_337434072	324.329	CHPLKSVQGOXZQW-GDGBQDQQSA-N	00100010000000000000010000000000000000000000000000000000	22-01-129961
COC(=O)OC12CC2(C)CCC1Oc1nc(OC)cc(n1)OC	SCHEMBL9412079,PC-id_67845623	324.329	CJUPQAXTLMZXCS-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-129962
CCCc1ncc(c2c1O2)C(=O)C(=O)c1cnc(c2c1O2)CCC	PC-id_141427425	324.331	SZFPLFBZAPMSKZ-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-129963
C=C[C@H]([C@H]([C@H]1[C@H]2[C@H](C2(C)C)C[C@H]([C@]1(O)C#C)C)OP#P)C	SCHEMBL16274287	324.335	AAQLEWLNJLJEEV-IPPAOBIKSA-N	00100000000010000000010000000000000000000000000000000000	22-01-129964
C1CC1(Cc1ccccc1C(F)(F)F)NC(=O)C1C2C1CNC2	SCHEMBL19724697,PC-id_86293124	324.341	CNWXASMCTNEKFZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129965
FC(F)(F)c1ccccc1CC1(CC1)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12	SCHEMBL16255894,BindingDB-id_599422	324.341	CNWXASMCTNEKFZ-IMRBUKKESA-N	00100010000000110000010000000000000000000000000000000000	22-01-129966
O=C(C1C2[C@H]1CNC2)NC1(CC1)Cc1ccccc1C(F)(F)F	PC-id_144745345	324.341	CNWXASMCTNEKFZ-LKSINWNRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129967
O=C(C1[C@@H]2[C@H]1CNC2)NC1(CC1)Cc1ccccc1C(F)(F)F	BindingDB_PC-id_86293124	324.341	CNWXASMCTNEKFZ-ONXXMXGDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-129968
O=C([C@@H]1[C@@H]2C1CNC2)NC1(CC1)Cc1ccccc1C(F)(F)F	SCHEMBL19724771	324.341	CNWXASMCTNEKFZ-HFUMIRBISA-N	00100010000000110000010000000000000000000000000000000000	22-01-129969
O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)c1ccc(C2CC2)cc1	EMOLS-id_316794814,MCULE-3184822783,ZINC22_1615547435	324.341	UJKANBIIUKHEFD-HOTGVXAUSA-N	00100010000000110000110000000000000000000000000000000000	22-01-129970
O=C(C1(CCC1)S(=O)(=O)N)NC[C@]12OCCC[C@H]1C2(F)F	EMOLS-id_319825954	324.344	WXXRBTFFWOPVMM-KCJUWKMLSA-N	00101000000010000000010000000000000000000000000000000000	22-01-129971
Cc1ccc(cc1)S(=O)(=O)OC(=O)C1C2C1C(CC2)C(=O)O	PC-id_88550597,SCHEMBL10011828	324.349	ZNFQYRSPLNAFSF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-129972
Fc1c(c2c(C(=O)N3C4C(C4)CC3C(=O)N)cccc2)cccc1	PC-id_77223062	324.349	HMVNJLMDTRRPNZ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-129973
Fc1c(c2c(C(=O)N3C(C4C(C4)C3)C(=O)N)cccc2)cccc1	PC-id_76542627	324.349	LUEYNIXLRVCPHI-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-129974
Fc1c(c2c(C(=O)N3[C@@H]4[C@H](C4)C[C@H]3C(=O)N)cccc2)cccc1	PC-id_67081614,SCHEMBL1572559	324.349	HMVNJLMDTRRPNZ-NVGVWMPQSA-N	00100010000000110000110000000000000000000000000000000000	22-01-129975
Fc1c(c2c(C(=O)N3[C@@H]4[C@@H](C4)C[C@H]3C(=O)N)cccc2)cccc1	SCHEMBL1572558,PC-id_67081613	324.349	HMVNJLMDTRRPNZ-GOPGUHFVSA-N	00100010000000110000110000000000000000000000000000000000	22-01-129976
Fc1c(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)C(=O)N)cccc2)cccc1	PC-id_57489158,SCHEMBL2925297	324.349	LUEYNIXLRVCPHI-JGFGOQIWSA-N	00100010000000110000110000000000000000000000000000000000	22-01-129977
Fc1c(c2c(C(=O)N3[C@@H]([C@@H]4[C@@H](C4)C3)C(=O)N)cccc2)cccc1	SCHEMBL3415876,PC-id_68634086	324.349	LUEYNIXLRVCPHI-KCTSRDHCSA-N	00100010000000110000110000000000000000000000000000000000	22-01-129978
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Cn1ncc(c1)c1ccc(cc1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_320133435,MCULE-9383348566	324.377	YALFQKGZPUKUGH-QAPCUYQASA-N	00100000100010110001110000000000000000000000000000000000	22-01-130066
COc1ccc(nn1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319043994	324.377	GWLUTWFKFDSOMU-HALDLXJZSA-N	00100010000000110001010000000000000000000000000000000000	22-01-130067
COC(=O)c1ccc(=N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@H]23)[nH]n1	MCULE-8610006919,ZINC22_398332407,EMOLS-id_316966249	324.377	IUQLMBJGNAACKM-HALDLXJZSA-N	00100010000000110001010000000000000000000000000000000000	22-01-130068
COC(=O)c1nccc(n1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_317363973,MCULE-5478226775	324.377	QJHOQKTWAUPSSZ-FOLVSLTJSA-N	00100010000000110001010000000000000000000000000000000000	22-01-130069
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)Cn1cccn1	EMOLS-id_318846736	324.377	QCCIIUZEJUDBMT-QAPCUYQASA-N	00100000100010110001010000000000000000000000000000000000	22-01-130070
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1)C)n1cccn1	EMOLS-id_319561411	324.377	NIDIEGDFJYYTJL-KDOFPFPSSA-N	00100000100010110001110000000000000000000000000000000000	22-01-130071
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)Cn1cncc1	MCULE-1324428545,EMOLS-id_320058051	324.377	PKXHJMVWJFNMMA-QAPCUYQASA-N	00100000100010110001010000000000000000000000000000000000	22-01-130072
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)Cn1cncc1	MCULE-3074072484,EMOLS-id_319982914	324.377	SGLMYCONXPOCGQ-QAPCUYQASA-N	00100000100010110001010000000000000000000000000000000000	22-01-130073
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccn(n1)Cc1ccccc1	EMOLS-id_319593889	324.377	LLXCJYGFJYVCLW-KDOFPFPSSA-N	00100000100010110001010000000000000000000000000000000000	22-01-130074
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cnn(c1)c1ccccc1C	MCULE-8464105917,EMOLS-id_319921584	324.377	GLGFTFWJCSMRNQ-KDOFPFPSSA-N	00100000100010110001110000000000000000000000000000000000	22-01-130075
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cnn(c1C)c1ccccc1	EMOLS-id_319202733	324.377	PYBDXJDCJNTUMZ-ACJLOTCBSA-N	00100000100010110001110000000000000000000000000000000000	22-01-130076
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cnn(c1)Cc1ccccc1	EMOLS-id_320222890,MCULE-9389504184	324.377	JQLWYGZZPKFAIZ-QAPCUYQASA-N	00100000100010110001010000000000000000000000000000000000	22-01-130077
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cn(nc1C)c1ccccc1	EMOLS-id_320318324,MCULE-6877756427	324.377	VBNDFVBQICYGFV-ACJLOTCBSA-N	00100000100010110001110000000000000000000000000000000000	22-01-130078
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1[nH]nc(c1C)c1ccccc1	EMOLS-id_319401250	324.377	XZOOCOHOYCXKLG-ACJLOTCBSA-N	00100000100010110001110000000000000000000000000000000000	22-01-130079
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1nn(cc1C)c1ccccc1	EMOLS-id_320115041,MCULE-4486984229	324.377	FVTULJFYWVPELT-ACJLOTCBSA-N	00100000100010110001110000000000000000000000000000000000	22-01-130080
NC(=O)c1cc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@H]23)c[nH]1	EMOLS-id_316936377,ZINC22_820075589,MCULE-7978777615	324.377	QVPPCYSZPRSCMR-FOLVSLTJSA-N	00100010110000110000010000000000000000000000000000000000	22-01-130081
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1cc(nn1c1ccc(cc1)C)C	PC-id_68633450,SCHEMBL3414268	324.377	FNTPJEVVRLSJEQ-NOLJZWGESA-N	00100010100000110001110000000000000000000000000000000000	22-01-130082
O(C1(OCC)N=C(N)C2(C1(C2Cc1ccccc1)C#N)C#N)CC	PC-id_78737508	324.377	KNVHWVUILAMTNI-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-130083
O(C1(OCC)N=C(N)[C@@]2([C@]1([C@@H]2Cc1ccccc1)C#N)C#N)CC	PC-id_8610159	324.377	KNVHWVUILAMTNI-DJIMGWMZSA-N	00100011000000110000010000000000000000000000000000000000	22-01-130084
O(C1(OCC)N=C(N)[C@@]2([C@]1([C@H]2Cc1ccccc1)C#N)C#N)CC	PC-id_8610164	324.377	KNVHWVUILAMTNI-USXIJHARSA-N	00100011000000110000010000000000000000000000000000000000	22-01-130085
O=C(c1ccc([nH]1)C(=O)N)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319452107	324.377	HZMSEQJWFSFTSF-VIKVFOODSA-N	00100010110000110000010000000000000000000000000000000000	22-01-130086
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OC(=O)C1[C@@H]2[C@H]1CN(C2)Cc1cnc(nc1)NCc1ccccc1	PC-id_77089491	324.377	DPWSVPYSOUWBMT-XYPWUTKMSA-N	00100010000000110001010000000000000000000000000000000000	22-01-130094
CN(C(=N)/C(=NOCc1cccc(n1)C)/C1=CC=CC2C1C2)N=N	PC-id_144240584	324.38	YPGRFEBIBKHIIS-DEXWNWFHSA-N	00100000000011101000010000000000000000000000000000000000	22-01-130095
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CC(C)(C)OC(=O)N1C2CC2CC1C(=O)NC1CCCC=C1F	PC-id_90019841	324.39	CSERQEFBOIFPTN-UHFFFAOYSA-N	00100010000011000000010000000000000000000000000000000000	22-01-130098
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Fc1c(c2c(C(=O)N3C(C4C(C4)C3)CN)cccc2C)cccc1	PC-id_77500984	324.392	FYCLVJRQLBQEAB-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130101
Fc1c(c2c(C(=O)N3C(C4C(C4)C3)CN)ccc(c2)C)cccc1	PC-id_77501187	324.392	RGFZDKDZRLEZNL-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130102
Fc1c(c2c(C(=O)N3C(C4C(C4)C3)CN)cc(cc2)C)cccc1	PC-id_77501412	324.392	LVSAXMLUJCAALL-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130103
Fc1c(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)CN)cccc2C)cccc1	PC-id_68443278,SCHEMBL2925493	324.392	FYCLVJRQLBQEAB-MZMPZRCHSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130104
Fc1c(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)CN)cc(cc2)C)cccc1	PC-id_68446098,SCHEMBL2932484	324.392	LVSAXMLUJCAALL-VVFCZOMOSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130105
Fc1c(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)CN)ccc(c2)C)cccc1	SCHEMBL2928985,PC-id_68444562	324.392	RGFZDKDZRLEZNL-VVFCZOMOSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130106
Fc1cc(c2c(C(=O)N3C(C4C(C4)C3)CN)ccc(c2)C)ccc1	PC-id_68444793,SCHEMBL2929505	324.392	KRBLNLMTBMZLAI-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130107
Fc1cc(c2c(C(=O)N3C(C4C(C4)C3)CN)cccc2C)ccc1	PC-id_77501312	324.392	VXZSGDRMCFERTG-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130108
Fc1cc(c2c(C(=O)N3C(C4C(C4)C3)CN)cc(cc2)C)ccc1	PC-id_77502333	324.392	ABSYNSWIQBSUFY-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130109
Fc1cc(c2c(C(=O)N3[C@H]([C@@H]4[C@@H](C4)C3)CN)ccc(c2)C)ccc1	PC-id_57489353	324.392	KRBLNLMTBMZLAI-JVPBZIDWSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130110
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Fc1cc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)CN)cc(cc2)C)ccc1	SCHEMBL2955880,PC-id_68456237	324.392	ABSYNSWIQBSUFY-LSBZLQRGSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130113
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Fc1ccc(c2c(C(=O)N3C(C4C(C4)C3)CN)ccc(c2)C)cc1	PC-id_77501379	324.392	XHWXAUIQATYILW-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130115
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CC[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(OCC(=O)N)cc1)C2	ZINC22_1772804207	324.395	JKBHRBRPOWPRLR-ABAIWWIYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130128
CC[C@]12C[C@@H]1CN(S(=O)(=O)c1ccc(OCC(=O)N)cc1)C2	ZINC22_1772804208	324.395	JKBHRBRPOWPRLR-IAQYHMDHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130129
CC[C@@]12C[C@H]1CN(S(=O)(=O)c1ccc(OCC(=O)N)cc1)C2	ZINC22_1772804209	324.395	JKBHRBRPOWPRLR-NHYWBVRUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130130
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Clc1ccc(c(c1)Cl)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_638064	325.233	BXDUFOVLBLHOAX-ISSKPDIESA-N	00100000000010110000010000000000000000000000000000000000	22-01-130508
Clc1ccc(c(c1)Cl)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_638066	325.233	BXDUFOVLBLHOAX-JIOISUEUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130509
Clc1ccc(c(c1)Cl)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_638067	325.233	BXDUFOVLBLHOAX-DYFXCLPNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130510
Clc1ccc(c(c1)Cl)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	PC-id_11891896,CoCoCo_638065	325.233	BXDUFOVLBLHOAX-VAVSGDEYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130511
Clc1ccc(c(c1)Cl)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	PC-id_39746379,CoCoCo_638062	325.233	BXDUFOVLBLHOAX-FAXBYDIASA-N	00100000000010110000010000000000000000000000000000000000	22-01-130512
Clc1ccc(c(c1)Cl)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98068151	325.233	BXDUFOVLBLHOAX-GPEGOCOHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130513
Clc1ccc(c(c1)Cl)/C=N/NC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98107784	325.233	BXDUFOVLBLHOAX-COUCJTJBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130514
Clc1ccc(cc1Cl)/C(=N/OCC1CC1)/C1C2C1CNC2	SCHEMBL18726742	325.233	XNQKJNCHGGNMJT-SILNSSARSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130515
Clc1c(C=NNC(=O)[C@@H]2[C@]3([C@@H]2CCCC3)C)ccc(Cl)c1	PC-id_40484764	325.233	BXDUFOVLBLHOAX-XNRPHZJLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130516
Clc1c(C=NNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)ccc(Cl)c1	PC-id_5403389	325.233	BXDUFOVLBLHOAX-BJJXKVORSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130517
Clc1c(C=NNC(=O)[C@H]2[C@]3([C@@H]2CCCC3)C)ccc(Cl)c1	PC-id_5453044	325.233	BXDUFOVLBLHOAX-IVMMDQJWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130518
Brc1cc(C(O)C2C3C2CCCC3)c(OC)cc1C	PC-id_81643208	325.241	CZFWRFLEWPDOOU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130519
Brc1cc(C(O)C2C3C2CCCC3)c(OCC)cc1	PC-id_81643110	325.241	VZSPOXUIPMZSEH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130520
Brc1c(C(O)C2C3C2CCCC3)ccc(OCC)c1	PC-id_81643209	325.241	KWBULTBIFCPTGK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130521
BrC(C1C2C1CCC2)c1c(cc(OC)c(OC)c1)C	PC-id_81636803	325.241	JCTJODWZWLEMKN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130522
BrC(C1C2C1CCC2)Cc1cc(OC)c(OC)cc1	PC-id_81637210	325.241	GEENVMJPGAFTHG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130523
BrC(C1C2C1CCCC2)c1cc(OC)c(OC)cc1	PC-id_81636329	325.241	KHQMQTZMQJLUTN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130524
BrC(C1C2C1CCCC2)c1c(OC)ccc(OC)c1	PC-id_81638301	325.241	OXRMWCVGHAZMAQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130525
BrC(C1C2C1CCCC2)c1c(OC)cc(OC)cc1	PC-id_81637652	325.241	NXOLXTBXTHTNJO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130526
BrC(C1CC2C(C2)C1)c1c(cc(OC)c(OC)c1)C	PC-id_80469349	325.241	MDSDIVKVSZVGKZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130527
BrC(C1CC2C(C2)C1)Cc1cc(OC)c(OC)cc1	PC-id_80472067	325.241	KKLUHXDYHCVMMZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130528
BrCC1(CC2C(C2)C1)CCOc1ccc(OC)cc1	PC-id_80473424	325.241	XWXFGDJDDQZHQP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130529
BrCC1(CC2C(C2)C1)CCOc1c(OC)cccc1	PC-id_80473534	325.241	MVVGJDGLDXZCJS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130530
CCCOc1ccc(cc1Br)C(C1C2C1CCC2)O	PC-id_104661273	325.241	QLGUALSXPCIHOK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130531
CCCOc1ccc(cc1Br)C(C1CC2C(C1)C2)O	PC-id_104661274	325.241	LGZSYWQPPZJXTM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130532
CCOc1ccc(cc1Br)C(C1C2C1CCCC2)O	PC-id_104661123	325.241	KYEBDENLQCGAJH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130533
COc1ccc(cc1Br)CC(C1C2C1CCCC2)O	PC-id_115779520	325.241	JPRXRTWQVKIKHB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130534
COc1ccc(cc1CC(C1C2C1CCCC2)O)Br	PC-id_115779325	325.241	VRBTUSADCBSBRF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130535
COc1ccc(c(c1)CC(C1C2C1CCCC2)O)Br	PC-id_115801599	325.241	IOUZRXFCELEZFH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130536
COc1c(C)cc(c(c1C(C1C2C1CCC2)O)C)Br	PC-id_104053515	325.241	YDRLOAFNNMBURX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130537
COc1c(C)cc(c(c1C(C1CC2C(C1)C2)O)C)Br	PC-id_104053625	325.241	RFPSNRRVPHKHNQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130538
Brc1cnc(c(c1)OC1CC2C(C1)C2(C)C)N(C)C	PC-id_145696480	325.244	MUMDMSNNFYIBHB-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-130539
CCc1nn(c(c1Br)CC(=O)C1C2C1CCCC2)C	PC-id_114977940	325.244	FHMJLYDLLKXPGD-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-130540
CCn1nc(c(c1CC(=O)C1C2C1CCC2)Br)CC	PC-id_115779538	325.244	QAGBWKLCBJEYGH-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-130541
CCn1nc(c(c1CC(=O)C1C2C1CCCC2)Br)C	PC-id_113658241	325.244	BMXUVPMAFONVOF-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-130542
CCn1nc(c(c1CC(=O)C1CC2C(C1)C2)Br)CC	PC-id_115779403	325.244	MXXMXNSEPRIGAC-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-130543
NNC(C1C2C1CCC2)Cc1cc(Br)ccc1OC	PC-id_113699967	325.244	BURCVTCPBBMLAF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130544
NNC(C1C2C1CCC2)Cc1ccc(c(c1)Br)OC	PC-id_105290313	325.244	ZBRPPMHAZXDHKQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130545
NNC(C1C2C1CCC2)Cc1cc(OC)ccc1Br	PC-id_105309529	325.244	UBIUYVXNMJEHFH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130546
NNC(C1CC2C(C1)C2)Cc1cc(Br)ccc1OC	PC-id_105290129	325.244	DQAONZWCHYYAQO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130547
NNC(C1CC2C(C1)C2)Cc1ccc(c(c1)Br)OC	PC-id_113699978	325.244	WHRBFEHAQXXWMX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130548
NNC(C1CC2C(C1)C2)Cc1cc(OC)ccc1Br	PC-id_105309477	325.244	YQZSROWNUATSFR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130549
OC[C@H]([C@H](C1[C@H](NC(=O)C)C(C2(C1[C@@]2(F)C(=O)O)F)O)O)O	SCHEMBL18671679	325.263	HFGLGEHYEFSRHH-PCPGGBHYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-130550
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(c(F)c1F)C	ZINC22_1704326799,MCULE-8990321240,EMOLS-id_317351078,PC-id_135113746	325.264	NDEJWBXCEQPYGD-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130551
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1c(F)ccc(C)c1F	PC-id_135102527,ZINC22_1704315582,EMOLS-id_317346444,MCULE-7064298299	325.264	KZURQYCMMWWMBF-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130552
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1c(cccc1F)F	PC-id_135110103,MCULE-6361803285,ZINC22_1704327846,EMOLS-id_317335730	325.264	IBLIIPUKNSWESM-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130553
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1ccc(cc1F)F	ZINC22_1704336802,EMOLS-id_317333194,MCULE-1242140379,PC-id_135117138	325.264	PNHHGKJFNPTKLR-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130554
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1cccc(F)c1F	MCULE-7570988187,ZINC22_1704316212,EMOLS-id_317350540,PC-id_135106191	325.264	KORXKFPNPDBKTP-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130555
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1cc(F)ccc1F	PC-id_137336352,MCULE-8275851285,ZINC22_1772705774,EMOLS-id_317479043	325.264	WITXNEQBRFXASK-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130556
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1cc(F)cc(F)c1	EMOLS-id_317387637,MCULE-9445133212,PC-id_135099721,ZINC22_1704312841	325.264	CJTQXVNGEJJSDN-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130557
CCC[C@@]1(CCC2(C(C1)C2)C)C(=O)c1ccc(c(c1)Cl)Cl	SCHEMBL18597632	325.273	BJLIUCLMNUKUTQ-SYGMWZTRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130558
C12(C#N)C(C(=O)c3ccc(OC)c(OC)c3)C1(C#N)C(=O)NC2=O	EMOLS-id_25584493,PC-id_42648067,MCULE-3378005926,TIMTEC227621	325.276	IVUCFDUKOWINOW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130559
COc1ccc(C(=O)C2[C@@]3(C#N)C(=O)NC(=O)[C@]23C#N)cc1OC	PC-id_98083479,ZINC22_100243348	325.276	IVUCFDUKOWINOW-HOTGVXAUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130560
COc1ccc(C(=O)C2[C@]3(C#N)C(=O)NC(=O)[C@@]23C#N)cc1OC	PC-id_98083480,ZINC22_100243353	325.276	IVUCFDUKOWINOW-HZPDHXFCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130561
COc1ccc(C(=O)C2[C@]3(C#N)C(=O)NC(=O)[C@]23C#N)cc1OC	ZINC22_100243349,PC-id_51688791	325.276	IVUCFDUKOWINOW-SFESLNEESA-N	00100010000000110000010000000000000000000000000000000000	22-01-130562
COc1ccc(C(=O)[C@H]2[C@]3(C#N)C(=NC(=O)[C@]23C#N)O)cc1OC	ZINC22_207739600	325.276	IVUCFDUKOWINOW-BZWBGLRVSA-N	00100011000000110000010000000000000000000000000000000000	22-01-130563
CC1C2CC2C(=O)C(C1=O)C(=O)c1c(nc(cc1)C(F)(F)F)C	PC-id_91584761	325.282	RSINYBWOIADDTK-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-130564
CC1C2CC2C(=O)C(=C(c2c(nc(cc2)C(F)(F)F)C)O)C1=O	PC-id_87957977	325.282	KPVRHFFPNPPIMZ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-130565
FC(F)(F)c1nc(c(/C(=C/C(=O)C3C(C3)C(C2=O)C)/O)cc1)C	PC-id_18755533	325.282	KPVRHFFPNPPIMZ-OWBHPGMISA-N	00100000000010101000010000000000000000000000000000000000	22-01-130566
OC1=C(C(=O)C(C2C1C2)C)C(=O)c1ccc(nc1C)C(F)(F)F	SCHEMBL6218289	325.282	INVQQWZKDREMLK-UHFFFAOYSA-N	00100000000011101000010000000000000000000000000000000000	22-01-130567
O=S(=O)(NS(=O)(=O)C(F)(F)F)OC1CCC2C(C1)O2	SCHEMBL18195853,PC-id_122661149	325.283	AQIIQLBFNUCSCM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-130568
C=C/C=CC(=N)C(=NC(=O)C1=CC2(C(=C1)C2)OCC(F)(F)F)N	PC-id_142165423	325.286	DEJUGGMVANZFHI-YEYGOYOGSA-N	00100011000000000000010000000000000000000000000000000000	22-01-130569
BrCC1(CC2C(C2)C1)Cc1nn(cc1)C(CC)CC	PC-id_80473123	325.287	TZOPONNCBPWMBD-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-130570
Cn1cc(c2n[nH]cc2C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(F)(F)F)cn1	EMOLS-id_320366344,ZINC22_1776002247,MCULE-9987512855	325.289	IUWSPUMMLDHJFE-URLYPYJESA-N	00100010100000000001110000000000000000000000000000000000	22-01-130571
Cn1ncc(c1)c1[nH]ncc1C(=O)N1C[C@@H]2[C@H](C1)C2C(F)(F)F	PC-id_138999088	325.289	IUWSPUMMLDHJFE-ZACCUICWSA-N	00100010100000000001110000000000000000000000000000000000	22-01-130572
C12(C(=O)OC)N(CCCC1C2(F)F)C(=O)OCc1ccccc1	MCULE-3806976524,EMOLS-id_194828815	325.307	KZOCYUKGLMPEFW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130573
C1(F)(F)C2C1C(CCN2C(=O)OCc1ccccc1)C(=O)OC	EMOLS-id_194828743,MCULE-6068374674	325.307	CUZCRUHELWVESD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130574
Cc1ccc(C(=O)O)cc1C(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC22_1875272668,PC-id_146141580	325.307	HWOIJUSTVPXOTF-DOMZBBRYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130575
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1c[nH]nc1C(F)(F)F	EMOLS-id_320057445,MCULE-1061295933	325.307	CYALNYURTAJOIP-GMSGAONNSA-N	00100000100010000001010000000000000000000000000000000000	22-01-130576
O=C(Cc1ccc(C(=O)O)cc1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC22_851618106,PC-id_146135756	325.307	IOEZOOXEVNOUOH-DOMZBBRYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130577
OC(=O)C1(CNC(=O)OCc2ccccc2)CC2C(C1)C2(F)F	MCULE-3428247051,EMOLS-id_277279614	325.307	SNSJVYWHSFKJNB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130578
O=C(O)Cc1cccc(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC22_851617611,PC-id_146135758	325.307	BPGLJQCWNBTHCS-DOMZBBRYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130579
O=S(=O)(C1C2C1CCCC2)NCc1noc(n1)C(F)(F)F	EMOLS-id_319200604	325.307	DEXVGGLNBGFNGC-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-130580
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1oc(nc1C(F)F)C1CC1	EMOLS-id_319345594	325.311	FBKHUDSBRUTZLH-GLEZIHRCSA-N	00100000100010000001110000000000000000000000000000000000	22-01-130581
COC(=O)/C=C/1C(=O)N([C@H]2[C@@H]1[C@@H]2C(=O)OC)C(=O)OC(C)(C)C	PC-id_101732485	325.314	OSGOUJIJJJKEEC-ILZRGQEZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-130582
O=C(Cn1c(=O)n(C)c(=O)n(c1=O)C)OCC1CCC2C(C1)O2	PC-id_140231786	325.317	PDWPKNIPRVZKON-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-130583
O=C(C1[C@@H]2[C@H]1COC2)N1CC(C1)Cc1ccccc1C(F)(F)F	PC-id_139020689	325.326	VFFZHQXLLACNTA-NNQSOWQGSA-N	00101010000000110000010000000000000000000000000000000000	22-01-130584
O=C([C@@H]1C[C@H]1c1ccc(cc1)F)NC[C@]12OCCC[C@H]1C2(F)F	EMOLS-id_318839847	325.326	IRHMSMHGFBTFDE-NHIYQJMISA-N	00100000000010110000110000000000000000000000000000000000	22-01-130585
O=C([C@@H]1[C@H]2COC[C@@H]12)N1CC(Cc2ccccc2C(F)(F)F)C1	MCULE-5652118822,EMOLS-id_320371296,ZINC22_1362443899	325.326	VFFZHQXLLACNTA-NHAGDIPZSA-N	00101010000000110000010000000000000000000000000000000000	22-01-130586
C#CC(C([C@@]12CC1C2CC([C@H](C(C)C)C)(Br)C)C)C	SCHEMBL20309758,PC-id_135160942	325.327	UWASFSGFZQPJLO-KCMFXCHYSA-N	00101000000000000000010000000000000000000000000000000000	22-01-130587
C1C2C(C2C(=O)O)CN1C(=O)c1ccccc1c1ccc(cc1)F	PC-id_91837075	325.334	HWUROPINIULSJT-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130588
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C(=O)c1ccccc1c1ccc(cc1)F	MCULE-3024824673,ZINC22_244673857,EMOLS-id_55662209	325.334	HWUROPINIULSJT-FVQHAEBGSA-N	00100010000000110000110000000000000000000000000000000000	22-01-130589
C[C@@]12CN1S(=O)(=O)O[C@@H]([C@@H]2OCOCCOC)C(=O)OC	PC-id_134999832	325.335	LCIFBCKVLRRIRR-REZLGKIPSA-N	00100000000010000001010000000000000000000000000000000000	22-01-130590
OC(=O)C1C2C1C(CC2S(=O)(=O)c1ccccc1)(N)C(=O)O	SCHEMBL8902735,PC-id_67721357	325.337	KOXBRGHWTWNKRS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130591
CC(C)(C)c1c(cc(cc1F)OC(=O)C1(CC2CC2C1O)N)F	PC-id_134368123,SCHEMBL19995944	325.35	CENKVXHRAGSMAX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130592
CC(C)(C)c1c(cc(cc1F)OC(=O)N1CC2CC2C1CO)F	SCHEMBL19995919,PC-id_134368101	325.35	BTXOYULKXOPRPZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130593
FC(Oc1cccc(c1)C(CNC(=O)C1C2C1CCCC2)O)F	PC-id_109876824	325.35	DWRCJTMUENBJHU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130594
OC[C@]12C[C@H]1CCCN2C(=O)c1cc(C)c(c(c1)C)OC(F)F	EMOLS-id_318769350	325.35	TUZNPNRYHRYDGK-CXAGYDPISA-N	00100000000010110000010000000000000000000000000000000000	22-01-130595
OC(c1ccc(cc1)OC(F)F)CNC(=O)C1C2C1CCCC2	PC-id_111860644	325.35	QLDLJLWCTMCIDX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130596
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CC1CC(C=C2CC2=C1O)(C)OC(C(F)(F)S(=O)(=O)O)O	PC-id_148176227	326.064	KDMVXKUMOUZAEC-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-130939
BrC1CC2(C(C2CC1Br)(COC)C)C	PC-id_85617124	326.068	ZNMVWEDJHQEYCY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-130940
C1CC(C(CCC2C1C2CCO)Br)Br	PC-id_89433355,SCHEMBL14770131	326.068	BPCPBPPBAIQSTQ-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-130941
OC1CCCCCCCC2C1C2(Br)Br	PC-id_121218862	326.068	LVPMYVIXTDYYCS-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-130942
OCC1(C)[C@@H]2[C@H]1CC[C@@H]([C@H](CC2)Br)Br	PC-id_117681110	326.068	UGNYFYHXFGRTII-JRALQKAMSA-N	00100000000000000100010000000000000000000000000000000000	22-01-130943
OC[C@]1(C)[C@@H]2[C@H]1CC[C@@H]([C@H](CC2)Br)Br	SCHEMBL16215034	326.068	UGNYFYHXFGRTII-HPENLJRUSA-N	00100000000000000100010000000000000000000000000000000000	22-01-130944
CC12C[C@@H]1CCC([I-]2)CCCC(C[OH2+])O	PC-id_163720755	326.074	BVBUVJLRBNIBFQ-ZLMIFYAYSA-O	00100000000010000000010000000000000000000000000000000000	22-01-130945
CC(C(=O)C1=CC(=C2CC2=C1O)O)C(=O)C3=CC(=C4CC4=C3O)O	PC-id_153718420	326.079	UBMOVJABOXPLHA-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-130946
Brc1sc(C(Cl)C2C3C2CCC3)cc1Cl	PC-id_81638338	326.08	VHSBPTBWOAMCHD-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-130947
Brc1sc(C(Cl)C2CC3C(C3)C2)cc1Cl	PC-id_80533445	326.08	JYXXDEWQQVRJDV-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-130948
BrC(C1C2C1CCC2)c1cc(Cl)sc1Cl	PC-id_81638317	326.08	LDXWGAMMYCCDFV-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-130949
BrC(C1CC2C(C2)C1)c1cc(Cl)sc1Cl	PC-id_80469522	326.08	LGTBCLPXWHTVMC-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-130950
Clc1sc(c(c1)C(C12CCCC1C2)Br)Cl	MCULE-7349226242	326.08	PWGRZJYFRVJDHA-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-130951
ClC(C12CCCC1C2)c1cc(c(s1)Br)Cl	MCULE-9779337847	326.08	YIZHPBLFMLALEO-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-130952
ClC(C12CCCC1C2)c1cc(c(s1)Cl)Br	MCULE-1440178824	326.08	RHQQPVLNURMMRR-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-130953
ClC(C1C2C1CCC2)c1cc(c(s1)Cl)Br	PC-id_102836384	326.08	CFFCYVDKXOJEPV-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-130954
ClC(c1cc(c(s1)Cl)Br)C1CC2C(C1)C2	PC-id_102836533	326.08	XMAANOKGLNKCSR-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-130955
C1CC1[C@H](c1cc(c(cc1F)Cl)F)NC(=O)C1C[C@H]2CC2N1	PC-id_163624676	326.1	HRBFFMHHYLKAEA-RJBGKCDISA-N	00100010000000110000010000000000000000000000000000000000	22-01-130956
C1CC1[C@H](C2=CC(=C(C=C2F)Cl)F)NC(=O)C3CC4C[C@H]4N3	PC-id_154990908	326.1	HRBFFMHHYLKAEA-LJJGFPLVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130957
C1C2C1CC(C2)S(=O)(=O)C3=CN=C(C=C3)OC/C(=C/F)/CN	PC-id_153573771	326.11	LNLXFCYVAHINGW-UXBLZVDNSA-N	00100010000010101000010000000000000000000000000000000000	22-01-130958
CCCCCC1CC2C(C2(Cl)Cl)CC1OC3=CC=CC=C3	PC-id_154170769	326.12	KGGTUJRNUARONS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130959
CCOC(=O)C1C2C(C2C(=O)[O-])CC(=O)N1C(=O)OC(C)(C)C	PC-id_161250598	326.125	VBFHXIJPUWKUEU-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-130960
CC1=CC=CC=C1C2=C(N=C(S2)C)C(=O)N3C[C@@H]4C[C@@H]4[C@H]3C[NH-]	PC-id_160831686	326.133	SGWNBJCGEYMJOI-AEGPPILISA-N	00100010100000110001110000000000000000000000000000000000	22-01-130961
CC1=CC(=CC=C1)C2=C(N=C(S2)C)C(=O)N3[C@@H](C[C@H]4[C@@H]3C4)C[NH-]	PC-id_154142110	326.133	YKWNUMSKSJPDRC-ILXRZTDVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-130962
C1CC2C(O2)CC1C(CC(=O)OCC3CO3)C(=O)OCC4CO4	PC-id_153530878	326.137	OAJSHKOCDCRULK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-130963
CC(C)(C)OOC(=O)C1=CC=CC2(C1O2)C(=O)OOC(C)(C)C	PC-id_154021666	326.137	UCGRYIMLHFEJHF-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-130964
BrC1(Br)C2([Si](C)(C)C)C1CCCC2	PC-id_13359944	326.143	UACGPBRRCPDVIW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-130965
CCC[C@@H]1CC[C@H]2C[C@H]2N1C(=O)C3=C(SC=N3)C4=CC=CC=C4	PC-id_161824613	326.145	YZFIQNCZGCFIRO-ARFHVFGLSA-N	00100000100010110001110000000000000000000000000000000000	22-01-130966
CCC[C@@H]1CC[C@@H]2C[C@@H]2N1C(=O)C3=C(SC=N3)C4=CC=CC=C4	PC-id_161824615	326.145	YZFIQNCZGCFIRO-OAGGEKHMSA-N	00100000100010110001110000000000000000000000000000000000	22-01-130967
Brc1cc(C(=O)NC2C3C2CNC3)cc([N+](=O)[O-])c1	PC-id_81550357	326.146	XEROLDVRVHFPRA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130968
Brc1c(C(=O)NC2C3C2CNC3)cc([N+](=O)[O-])cc1	PC-id_61945335	326.146	DCRKRCWCJIAYCX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130969
O=C(C1C2CC2CN1C(=O)O)Nc1cccc(n1)Br	SCHEMBL18578642	326.146	HLKMDKCDLTULIU-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-130970
O=C(C1CC2C(N1C(=O)O)C2)Nc1cccc(n1)Br	SCHEMBL17025102,PC-id_118323707	326.146	DRUHVJUCCIFSFU-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-130971
O=C([C@@H]1[C@H]2C[C@H]2CN1C(=O)O)Nc1cccc(n1)Br	SCHEMBL18578518	326.146	HLKMDKCDLTULIU-BYULHYEWSA-N	00100010000000101000010000000000000000000000000000000000	22-01-130972
C1=CC=C(C=C1)COC[C@@H]2[C@H](O[C@H]3[C@@H]2O3)COCC4=CC=CC=C4	PC-id_154100394	326.152	SVKVANOVUTWVQS-UAFMIMERSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130973
CCCOC1=C2C(=C(C=C1)C(C)C3=C4C(=C(C=C3)OCCC)O4)O2	PC-id_153782562	326.152	BOIGNJAUFSRDGY-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-130974
[P+](=C)(C(OC12C(C1)C(C(O)(C2C)C)[B])(C)C)C[P+](=C)CC	PC-id_72564241	326.159	HIOCPZZITURSFY-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-130975
[P+](=C)(C(O[C@]12[C@H](C1)[C@H]([C@](O)([C@@H]2C)C)[B])(C)C)C[P+](=C)CC	PC-id_59796190	326.159	HIOCPZZITURSFY-YAYDYNKSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-130976
Brc1cc(CN2C(=O)C3C(C3C2=O)(C)C)ccc1F	PC-id_64688349	326.161	HFONQILDJRCBSI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130977
Brc1cc(CN2C(=O)C3C(C3C2=O)(C)C)cc(F)c1	PC-id_79702492	326.161	PFNUIXBECLGBOJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130978
Brc1cc(CN2C(=O)C3C(C3C2=O)(C)C)c(F)cc1	PC-id_64688949	326.161	XZGUFBWSYDFXKG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130979
Brc1cc(F)c(CN2C(=O)C3C(C3C2=O)(C)C)cc1	PC-id_64836252	326.161	XJPOPOZFANRMLE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130980
Ic1c(NC(=O)C2C3C2CCCC3)cccc1	PC-id_79173203	341.187	RVFLBUBRUREVNL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-138580
Brc1c(CN2C(=O)C3C(C3C2=O)(C)C)cccc1F	PC-id_81519946	326.161	FFAKMCKXMGYQAC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130981
Brc1c(CN2C(=O)C3C(C3C2=O)(C)C)ccc(F)c1	PC-id_64836065	326.161	NPCSAJYEYZQAMY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130982
COC1=C[C@H]2C(=C2CN(C3=CC(=CC=C3)OC)C(=O)CCN)C=C1	PC-id_153582580	326.163	ZFSXSHPZKHHAJU-KRWDZBQOSA-N	00110000000011110000010000000000000000000000000000000000	22-01-130983
CCCCC[C@@H]1C[C@]2(C[C@H]2N1CC)CS(=O)(=O)C3=NC=CO3	PC-id_160917297	326.166	SROMLWKRMWGYQW-FMKPAKJESA-N	00100010100000000001010000000000000000000000000000000000	22-01-130984
Ic1ccc(C(=O)C2C3C2CCCC3)cc1	PC-id_81624379	326.173	NPFBLDLGDWOTTK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-130985
O=C(C1C2C1CCC2)Cc1ccc(cc1)I	PC-id_114974215	326.173	YAPDYXJJEDXQHS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130986
O=C(C1CC2C(C1)C2)Cc1ccc(cc1)I	PC-id_114974134	326.173	XXQOALLVWZZMQV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130987
Clc1cc(C(=O)CN2C(=O)C3C(C3C2=O)(C)C)ccc1Cl	PC-id_64836050	326.175	HRDWSCRTMAMZQZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130988
Clc1c(C(=O)CN2C(=O)C3C(C3C2=O)(C)C)ccc(Cl)c1	PC-id_64834747	326.175	VTWKNNWTMHHBGA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130989
Clc1c(C(=O)CN2C(=O)C3C(C3C2=O)(C)C)cc(Cl)cc1	PC-id_64835487	326.175	GCAXUMVEUXMFAT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-130990
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC3C4C3COC4)C#N	MCULE-3854570827,PC-id_162343082,EMOLS-id_320421383	326.18	AWNGVCUUUPDZMT-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-130991
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC)C(=O)O)C	PC-id_164701797	326.184	HAUKJASGQNMLQI-XWLWVQCSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-130992
C1[C@@H]2CC2[C@@H]([C@@H]1NC(=O)COc1cc(ccc1)Br)O	PC-id_137628324	326.186	ZHUQGQJYDVDPGM-IFGOKUGWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-130993
CCC1C2=CC(=CC12OC1CCCC=C1Br)[N+](=O)[O-]	SCHEMBL16545995,PC-id_117934318	326.186	WVBIKENHJZNHRE-UHFFFAOYSA-N	00100011000011000000010000000000000000000000000000000000	22-01-130994
OC[C@]12C[C@H]1CCCN2C(=O)c1cc(Br)ccc1O	EMOLS-id_319757358	326.186	UGOQUFHJLBUUMZ-YMTOWFKASA-N	00100000000010110000010000000000000000000000000000000000	22-01-130995
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1O)Br	MCULE-4423069653,EMOLS-id_319862773	326.186	RLDXBEJLNAJZBV-YMTOWFKASA-N	00100000000010110000010000000000000000000000000000000000	22-01-130996
Brc1cn(c(c1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	MCULE-5098700938,EMOLS-id_320008237	326.189	JHQBQUHFFNBQHR-OQPBUACISA-N	00100000110010000000010000000000000000000000000000000000	22-01-130997
Brc1cnc(nc1)CCN(C(=O)[C@@]12COC[C@@H]1C2)C	EMOLS-id_319442863	326.189	PQINTYKVLXMFTA-ZANVPECISA-N	00100010000000100001010000000000000000000000000000000000	22-01-130998
Brc1c(n(nc1CC)CC)CN1C(=O)C2C(C2)C1=O	PC-id_65883729	326.189	XIOMQAGXWIKDGJ-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-130999
Brc1c(n(nc1C)C)CN1C(=O)C2C(C2C1=O)(C)C	PC-id_65857956	326.189	DLRPHFMONWBXDS-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-131000
Cc1c(nc(cc1)Br)NC(=O)[C@@H]1C[C@]2(C[C@H]2N1)CO	PC-id_135318509	326.189	BSRQKSLMAICSMF-RWEMILLDSA-N	00100010000000101000010000000000000000000000000000000000	22-01-131001
CC1(C)OC[C@H]2C[C@]12NC(=O)N=c1cc[nH]cc1Br	ZINC22_529042485	326.189	RVKATXXCZLGESE-AMIZOPFISA-N	00100010000000101000010000000000000000000000000000000000	22-01-131002
CC1(C)OC[C@@H]2C[C@]12NC(=O)N=c1cc[nH]cc1Br	ZINC22_529042487	326.189	RVKATXXCZLGESE-ISVAXAHUSA-N	00100010000000101000010000000000000000000000000000000000	22-01-131003
CC1(C)OC[C@H]2C[C@@]12NC(=O)N=c1cc[nH]cc1Br	ZINC22_529042488	326.189	RVKATXXCZLGESE-OQPBUACISA-N	00100010000000101000010000000000000000000000000000000000	22-01-131004
CC1(C)OC[C@@H]2C[C@@]12NC(=O)N=c1cc[nH]cc1Br	ZINC22_529042489	326.189	RVKATXXCZLGESE-SDBXPKJASA-N	00100010000000101000010000000000000000000000000000000000	22-01-131005
CC(C)c1ncc(Br)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]23)n1	ZINC22_935760906,EMOLS-id_316994465,MCULE-9778032626	326.189	AWJRRIZCEKCQQI-MBTKJCJQSA-N	00100010000000100001010000000000000000000000000000000000	22-01-131006
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COc1cc(NC(=O)C2NC3C(C2)(C3)C)nc(c1)Br	PC-id_140776718	326.189	NPPKQRFUIUYSEH-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-131008
COc1cc(NC(=O)C2N[C@H]3[C@@](C2)(C3)C)nc(c1)Br	SCHEMBL18611082	326.189	NPPKQRFUIUYSEH-OASAKOPFSA-N	00100010000000101000010000000000000000000000000000000000	22-01-131009
COc1cc(NC(=O)[C@H]2N[C@H]3[C@@](C2)(C3)C)nc(c1)Br	SCHEMBL18578466	326.189	NPPKQRFUIUYSEH-RWEMILLDSA-N	00100010000000101000010000000000000000000000000000000000	22-01-131010
COCC12C[C@H](NC2C1)C(=O)Nc1cccc(n1)Br	SCHEMBL18555117	326.189	NBTWIEIVNCBFSC-BVDKZHGWSA-N	00100010000000101000010000000000000000000000000000000000	22-01-131011
COCC12CC(NC1C2)C(=O)Nc1cccc(n1)Br	PC-id_140776868	326.189	NBTWIEIVNCBFSC-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-131012
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CN(CCn1ncc(c1C(=O)C1C2C1CCC2)Br)C	PC-id_115804399	326.232	BYIGQXPUVFNCRI-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131033
CN(CCn1ncc(c1C(=O)C1CC2C(C1)C2)Br)C	PC-id_115804182	326.232	QKBSHBZFAHFIFP-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131034
O=C(C1CCC2C(C1)C2)NCCc1ncn(c1Br)C	EMOLS-id_319323668	326.232	PKJOPWJXOOWZDR-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131035
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Brc1c(CC2(CC3C(C3)C2)CNCC)cccc1F	PC-id_81513709	326.247	RPYWRHQEONQDJF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131037
Brc1c(CC2(CC3C(C3)C2)CNCC)ccc(F)c1	PC-id_80470118	326.247	VXYXYPVYHWSDHQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131038
Brc1c(CC2(CC3C(C3)C2)CNCC)cc(F)cc1	PC-id_80470030	326.247	WODOYBUQSHIOGA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131039
Brc1cc(CC2(CC3C(C3)C2)CNCC)ccc1F	PC-id_80469745	326.247	QYULJQKYNKGHNQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131040
Brc1cc(CC2(CC3C(C3)C2)CNCC)cc(F)c1	PC-id_80469904	326.247	UGVVONSJMBDLGR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131041
Brc1cc(CC2(CC3C(C3)C2)CNCC)c(F)cc1	PC-id_80470032	326.247	QMTHTJRLIUMVQH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131042
Brc1cc(C(NCC)C2C3C2CCCC3)ccc1F	PC-id_81630255	326.247	VEGTYAKDEVPTRV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131043
Brc1cc(C(NCCC)C2C3C2CCC3)ccc1F	PC-id_81630360	326.247	DCSAYRDGMQESOB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131044
Brc1cc(C(NCCC)C2CC3C(C3)C2)ccc1F	PC-id_80468714	326.247	JHAHRBNNKDAXKR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131045
Brc1cc(F)c(CC2(CC3C(C3)C2)CNCC)cc1	PC-id_80470232	326.247	IPPFTQGOBIBOAU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131046
CCCNC(c1cc(Br)ccc1F)C1C2C1CCC2	PC-id_105011756	326.247	URNGDDIMAYHVGE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131047
CCCNC(c1cc(Br)ccc1F)C1CC2C(C1)C2	PC-id_105011724	326.247	CICJOWWEVLAWST-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131048
CCCNC(c1cccc(c1F)Br)C1C2C1CCC2	PC-id_106647979	326.247	SPVWUXVIQFYLSM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131049
CCCNC(c1cccc(c1F)Br)C1CC2C(C1)C2	PC-id_106647560	326.247	RFMHQZOTEOCJLQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131050
CCNC(C1C2C1CCC2)Cc1cc(Br)ccc1F	PC-id_115839657	326.247	VIPOPOZKSDKYSB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131051
CCNC(C1C2C1CCC2)Cc1cccc(c1Br)F	PC-id_105020620	326.247	QDZKVLORBSJSIK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131052
CCNC(C1C2C1CCC2)Cc1ccc(c(c1)Br)F	PC-id_115818854	326.247	VGGNHBDYHOKTST-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131053
CCNC(C1C2C1CCC2)Cc1ccc(cc1Br)F	PC-id_115843265	326.247	VBXDCTFLKKVYBA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131054
CCNC(C1C2C1CCC2)Cc1ccc(cc1F)Br	PC-id_115844692	326.247	UTJNYHXQJKKKLU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131055
CCNC(C1C2C1CCC2)Cc1cc(F)cc(c1)Br	PC-id_105015698	326.247	GEHGHWJPSDAIQQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131056
CCNC(C1C2C1CCC2)Cc1cc(F)ccc1Br	PC-id_115843786	326.247	TVFSIEGXPLHYNI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131057
CCNC(C1CC2C(C1)C2)Cc1cc(Br)ccc1F	PC-id_115839229	326.247	UTYBPCTXNHBYNO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131058
CCNC(C1CC2C(C1)C2)Cc1cccc(c1Br)F	PC-id_105020420	326.247	RFFKAWDCLXISBO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131059
CCNC(C1CC2C(C1)C2)Cc1ccc(c(c1)Br)F	PC-id_115818490	326.247	OHGZLBZYZJYAER-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131060
CCNC(C1CC2C(C1)C2)Cc1ccc(cc1Br)F	PC-id_115843069	326.247	NOMVNESNOXNXLO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131061
CCNC(C1CC2C(C1)C2)Cc1ccc(cc1F)Br	PC-id_115844496	326.247	SXSBWTAJGWECSA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131062
CCNC(C1CC2C(C1)C2)Cc1cc(F)cc(c1)Br	PC-id_105015497	326.247	PLJAXSANOQBFMH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131063
CCNC(C1CC2C(C1)C2)Cc1cc(F)ccc1Br	PC-id_115843591	326.247	ZIYBJLMSLDBNQE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131064
CCNC(c1cc(Br)ccc1F)C1C2C1CCCC2	PC-id_105011715	326.247	LQTQQGRASBRTTD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131065
CCNC(c1cccc(c1F)Br)C1C2C1CCCC2	PC-id_106647797	326.247	BQGXBJGLMBGZOW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131066
CNC(C1C2C1CCCC2)Cc1cc(Br)ccc1F	PC-id_115839214	326.247	JKQWHXNKIPDZOD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131067
CNC(C1C2C1CCCC2)Cc1cccc(c1Br)F	PC-id_105020412	326.247	ZPASJYNISDVIPU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131068
CNC(C1C2C1CCCC2)Cc1ccc(c(c1)Br)F	PC-id_115818474	326.247	ACDVVOXPGHKSPU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131069
CNC(C1C2C1CCCC2)Cc1ccc(cc1Br)F	PC-id_115843061	326.247	WGYPDUMIPLLKDH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131070
CNC(C1C2C1CCCC2)Cc1ccc(cc1F)Br	PC-id_115844488	326.247	PGTAOTDPWRPLKK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131071
CNC(C1C2C1CCCC2)Cc1cc(F)cc(c1)Br	PC-id_105015489	326.247	BFGKQSNXTXQUAB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131072
CNC(C1C2C1CCCC2)Cc1cc(F)ccc1Br	PC-id_115843584	326.247	GYZJCOAYLIWWOW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131073
COC(=O)C1=C(C(=C(C2C1O2)C(=O)OC)C(=O)OC)C(=O)OC	PC-id_134915405	326.256	BFMHFEQSFAECFK-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-131074
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[C@H]1(CN2CCN(CC2)c2ccc(c(Cl)c2)Cl)[C@H]2[C@@H]1CNC2	ZINC22_102835176,EMOLS-id_43177131,MCULE-3130429201	326.264	DTPUBQPPEUNGNH-WDNDVIMCSA-N	00100010000010110001110000000000000000000000000000000000	22-01-131077
Clc1cc(N2CCN(CC3C4C3CNC4)CC2)ccc1Cl	PC-id_76439932	326.264	DTPUBQPPEUNGNH-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-131078
Clc1cc(N2CCN(CC3[C@@H]4[C@H]3CNC4)CC2)ccc1Cl	PC-id_56916024	326.264	DTPUBQPPEUNGNH-PBWFPOADSA-N	00100010000010110001110000000000000000000000000000000000	22-01-131079
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Brc1c(n(nc1C)CC)CC1(CC2C(C2)C1)CNC	PC-id_80470200	326.275	QZISGIIBVKWXQR-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131082
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CCc1nn(c(c1Br)CC(C1C2C1CCCC2)N)C	PC-id_104994683	326.275	FCOBYUHKULVRRJ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131084
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CCCn1ncc(c1C(C1CC2C(C1)C2)NCC)Br	PC-id_105041246	326.275	GNWDPLDYRNZHTQ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131087
CCCNC(c1c(Br)cnn1C)C1C2C1CCCC2	PC-id_105054005	326.275	BKAXJTPSFYOBGF-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131088
CCCNC(c1c(Br)cnn1CC)C1C2C1CCC2	PC-id_105040043	326.275	IELPTPRGUUYZBZ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131089
CCCNC(c1c(Br)cnn1CC)C1CC2C(C1)C2	PC-id_105039981	326.275	WHPGUTQUUNNYHK-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131090
CCn1nc(c(c1CC(C1C2C1CCC2)N)Br)CC	PC-id_105002349	326.275	XDARWONNJQVRCI-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131091
CCn1nc(c(c1CC(C1C2C1CCCC2)N)Br)C	PC-id_104998307	326.275	ZKGWHCBQCPPVAK-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131092
CCn1nc(c(c1CC(C1CC2C(C1)C2)N)Br)CC	PC-id_105002412	326.275	XQVYNNYDCCDEEN-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131093
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CCNC(c1c(Br)cnn1CC)C1C2C1CCCC2	PC-id_105039964	326.275	QNFKDHQMYFWEGS-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131095
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CCNC(c1c(Br)cnn1C(C)C)C1CC2C(C1)C2	PC-id_105042088	326.275	JCABWXCPKKDJFH-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131097
CCNC(C1CC2C(C1)C2)Cc1n(C)nc(c1Br)C	PC-id_105000266	326.275	BORHDUDHAXCYNX-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131098
CNC(C1C2C1CCC2)Cc1n(CC)nc(c1Br)C	PC-id_104998045	326.275	BIHYVQWDRSTWNT-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131099
CNC(C1C2C1CCC2)Cc1n(C)nc(c1Br)CC	PC-id_104994421	326.275	RYYLWERWCGLSLW-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131100
CNC(C1C2C1CCCC2)Cc1n(C)nc(c1Br)C	PC-id_105000259	326.275	MZDWDYXAFZXQSJ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131101
CNC(c1c(Br)cnn1C(C)C)C1C2C1CCCC2	PC-id_105042080	326.275	OSBBWQWMEPNWEA-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131102
CNC(C1CC2C(C1)C2)Cc1n(CC)nc(c1Br)C	PC-id_104998051	326.275	SUKKNEORFWPVJK-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131103
CNC(C1CC2C(C1)C2)Cc1n(C)nc(c1Br)CC	PC-id_104994427	326.275	JOWWJQUMFSUSAU-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131104
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CCCNC(C1C2C1CCCC2)Cc1cccc(c1Cl)Cl	PC-id_107312098	326.304	DUPTYWFQABKGDP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131115
CCCNC(C1C2C1CCCC2)Cc1ccc(cc1Cl)Cl	PC-id_115839941	326.304	ZHWOFOJXUVEEGX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131116
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CCCNC(C1C2C1CCCC2)Cc1c(Cl)cccc1Cl	PC-id_115830169	326.304	DWRTUFBIRQFTGG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131118
CC(CNCC1(CC2C(C1)C2)Cc1cccc(c1Cl)Cl)C	PC-id_107309802	326.304	LURFWKROJWCERS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131119
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COc1ccc(n2ccc(C(=O)OC[C@@H]3CC[C@H]4C[C@H]4C3)n2)cc1	ZINC22_1875341446	326.39	UAFFPIHLWBQVDX-QLFBSQMISA-N	00100000100010110001110000000000000000000000000000000000	22-01-131313
COc1ccc(n2ccc(C(=O)OC[C@@H]3CC[C@@H]4C[C@H]4C3)n2)cc1	ZINC22_1875341447	326.39	UAFFPIHLWBQVDX-RBSFLKMASA-N	00100000100010110001110000000000000000000000000000000000	22-01-131314
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OCC12CN(CC1C2)C(=O)c1c(onc1c1ccccc1)C(C)C	EMOLS-id_318764606	326.39	KCJMYPYQGYTTDW-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131320
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C12(CC)CN(CC1C2)C(=O)CCCc1onc(c2cccnc2)n1	MCULE-5586234272,EMOLS-id_317873831	326.393	RPTHFOQGWXLCQK-UHFFFAOYSA-N	00100010100000101001110000000000000000000000000000000000	22-01-131325
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Cc1ccn(c2ccccc2NC(=O)N[C@]23C[C@@H]2COC3(C)C)n1	ZINC22_529017887	326.393	KUGOPESGZNIUCK-FZKQIMNGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131328
Cc1ccn(c2ccccc2NC(=O)N[C@]23C[C@H]2COC3(C)C)n1	ZINC22_529017888	326.393	KUGOPESGZNIUCK-SCLBCKFNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131329
Cc1ccn(c2ccccc2NC(=O)N[C@@]23C[C@H]2COC3(C)C)n1	ZINC22_529017889	326.393	KUGOPESGZNIUCK-UGSOOPFHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131330
CC1(C)OC[C@@H]2C[C@]12NC(=O)Nc1ccc(Cn2cccn2)cc1	ZINC22_528943419	326.393	LXQTUVIIPLLTEX-KBXCAEBGSA-N	00100010100000110001010000000000000000000000000000000000	22-01-131331
CC1(C)OC[C@H]2C[C@@]12NC(=O)Nc1ccc(Cn2cccn2)cc1	ZINC22_528943420	326.393	LXQTUVIIPLLTEX-KDOFPFPSSA-N	00100010100000110001010000000000000000000000000000000000	22-01-131332
CC1(C)OC[C@@H]2C[C@@]12NC(=O)Nc1ccc(Cn2cccn2)cc1	ZINC22_528943422	326.393	LXQTUVIIPLLTEX-KSSFIOAISA-N	00100010100000110001010000000000000000000000000000000000	22-01-131333
CC1(C)OC[C@H]2C[C@]12NC(=O)Nc1ccc(Cn2cccn2)cc1	ZINC22_528943424	326.393	LXQTUVIIPLLTEX-RDTXWAMCSA-N	00100010100000110001010000000000000000000000000000000000	22-01-131334
Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]23)nn1c1ccccc1C(C)C	MCULE-1199343307,ZINC22_530308461,EMOLS-id_320385076	326.393	STKVAQCHVMGYAZ-FOLVSLTJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131335
CC1=NN(CC1)c1ccc(cc1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	MCULE-5619144833,EMOLS-id_319897954	326.393	PBSQGTPDKFGROE-KDOFPFPSSA-N	00100011000010110001110000000000000000000000000000000000	22-01-131336
CC[C@]12C[C@H]1CN(C(=O)CCCc1nc(c3cccnc3)no1)C2	ZINC22_1772805928	326.393	RPTHFOQGWXLCQK-KBXCAEBGSA-N	00100010100000101001110000000000000000000000000000000000	22-01-131337
CC[C@@]12C[C@@H]1CN(C(=O)CCCc1nc(c3cccnc3)no1)C2	ZINC22_1772805930	326.393	RPTHFOQGWXLCQK-KDOFPFPSSA-N	00100010100000101001110000000000000000000000000000000000	22-01-131338
CC[C@@]12C[C@H]1CN(C(=O)CCCc1nc(c3cccnc3)no1)C2	ZINC22_1772805931	326.393	RPTHFOQGWXLCQK-KSSFIOAISA-N	00100010100000101001110000000000000000000000000000000000	22-01-131339
CC[C@]12C[C@@H]1CN(C(=O)CCCc1nc(c3cccnc3)no1)C2	ZINC22_1772805933	326.393	RPTHFOQGWXLCQK-RDTXWAMCSA-N	00100010100000101001110000000000000000000000000000000000	22-01-131340
[C@H]1(C(=O)N(C)Cc2cnn(c3cccc(OC)c3)c2)[C@H]2[C@@H]1CNC2	MCULE-7002629515,EMOLS-id_44434553,ZINC22_102385635	326.393	WWCODPJLPWTKIV-FVQHAEBGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131341
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OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)c1ncnn1CC	EMOLS-id_319457375	326.393	RGTGBNFLFXOSIM-CRAIPNDOSA-N	00100000100010110001110000000000000000000000000000000000	22-01-131344
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(nc1)n1nc(cc1C)C	EMOLS-id_319836356,MCULE-2019521994	326.393	NHTZJGMNGJIZRB-CRAIPNDOSA-N	00100000100010101001110000000000000000000000000000000000	22-01-131345
OC[C@]12C[C@H]1CCCN2C(=O)c1cnn(c1N)Cc1ccccc1	EMOLS-id_318852136	326.393	VBMIEOYXLTXHGY-RDTXWAMCSA-N	00100000100010110001010000000000000000000000000000000000	22-01-131346
OC[C@]12C[C@H]1CCCN2C(=O)c1nn(c(n1)CC)c1ccccc1	MCULE-2758473655,EMOLS-id_319900686	326.393	AKXGJWHWTJJWJC-FZKQIMNGSA-N	00100000100010110001110000000000000000000000000000000000	22-01-131347
OC[C@]12C[C@H]1CCCN2C(=O)c1nnn(c1C)c1ccc(cc1)C	EMOLS-id_318804028	326.393	JPNSWAFEPBHVFM-RDTXWAMCSA-N	00100000100010110001110000000000000000000000000000000000	22-01-131348
OC[C@]12C[C@H]1CCCN2C(=O)c1nnn(c1C)c1cccc(c1)C	MCULE-2227767032,EMOLS-id_320041989	326.393	DQDWBQKNOKWQBT-RDTXWAMCSA-N	00100000100010110001110000000000000000000000000000000000	22-01-131349
OC[C@]12C[C@H]1CCCN2C(=O)Cc1nnn(c1C)c1ccccc1	EMOLS-id_319752279	326.393	NAFFAKUKBLTJSV-RDTXWAMCSA-N	00100000100010110001110000000000000000000000000000000000	22-01-131350
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Clc1cc(c2c(C(=O)N3[C@@H]4[C@@H](C4)C[C@H]3CN)cccc2)ccc1	SCHEMBL1571838,PC-id_67081194	326.82	MDBYOYRKNWHOFL-XUWXXGDYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131560
Clc1cc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)CN)cccc2)ccc1	PC-id_68445596,SCHEMBL2931406	326.82	LBZZJRPHBNGZEH-FSPWUOQZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131561
Clc1cc(c2c(C(=O)N3[C@@H]([C@@H]4[C@@H](C4)C3)CN)cccc2)ccc1	SCHEMBL3415866,PC-id_68634080	326.82	LBZZJRPHBNGZEH-DOPJRALCSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131562
Clc1ccc(c2c(C(=O)N3C(C4C(C4)C3)CN)cccc2)cc1	PC-id_77500862	326.82	ICWYHVWUQIYDQJ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131563
Clc1ccc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)CN)cccc2)cc1	SCHEMBL2924532,PC-id_68442860	326.82	ICWYHVWUQIYDQJ-FSPWUOQZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131564
Clc1cccc(c1)C(c1ccccc1)NC(=O)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_318994504	326.82	AQWSWENVFLNPNV-KCUXLOIUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131565
Clc1ccc(cc1)C(c1ccccc1)NC(=O)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_319324090	326.82	YJVBJSKXYJFORL-KCUXLOIUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131566
Clc1cccc(c1)C(c1ccccn1)NC(=O)C1C2C1CCC2	PC-id_71918004,MCULE-5914246153,EMOLS-id_45672575	326.82	ORIFKBDRRRBMFI-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-131567
Clc1cccc(c1)[C@H](c1ccccn1)NC(=O)C1[C@@H]2[C@H]1CCC2	PC-id_97084682	326.82	ORIFKBDRRRBMFI-HLVPYZJISA-N	00100010000010111000010000000000000000000000000000000000	22-01-131568
Clc1cccc(c1)[C@@H](c1ccccn1)NC(=O)C1[C@@H]2[C@H]1CCC2	PC-id_97084683	326.82	ORIFKBDRRRBMFI-MPBLMAKGSA-N	00100010000010111000010000000000000000000000000000000000	22-01-131569
O=C([C@@H]1C[C@@H]2[C@H](N1)C2)NCc1ccccc1c1ccc(cc1)Cl	EMOLS-id_318095331	326.82	WBXVXVNIVZSUGV-OLMNPRSZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131570
O=C([C@@H]1[C@@H]2[C@H]1CNC2)NCc1ccccc1c1ccc(cc1)Cl	EMOLS-id_319128662	326.82	JHYHVSFXQHOEKT-PIIMJCKOSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131571
O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)C1[C@@H]2CCC[C@@H]12	PC-id_100894328,ZINC22_230101609	326.82	ORIFKBDRRRBMFI-IIDMSEBBSA-N	00100010000010111000010000000000000000000000000000000000	22-01-131572
O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)C1[C@H]2CCC[C@H]12	PC-id_98229139,ZINC22_101653392	326.82	ORIFKBDRRRBMFI-RLFYNMQTSA-N	00100010000010111000010000000000000000000000000000000000	22-01-131573
O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)[C@@H]1[C@H]2CCC[C@@H]12	ZINC22_247447724	326.82	ORIFKBDRRRBMFI-IDCNUPLLSA-N	00100010000010111000010000000000000000000000000000000000	22-01-131574
O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)[C@@H]1[C@H]2CCC[C@@H]12	ZINC22_247447731	326.82	ORIFKBDRRRBMFI-MXSMSXNCSA-N	00100010000010111000010000000000000000000000000000000000	22-01-131575
ClCc1nc(sc1)CCCCN1C(=O)C2C(C2C1=O)(C)C	PC-id_64836619	326.842	SFDBLGQPRAJEIQ-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-131576
C(=CC/C=C[C@@H]1[C@@H]2[C@H](C[C@H]1[C@H](CC)Cl)O2)CCCCC(=O)O	CHEMBL466580,UNPD102471,LipidBank_3826,LipidBank_45932,CMNPD5900,LMFA03120052	326.858	BUSAMCWWFKPNGV-SOVGUPCDSA-N	00100010000000000000010000000000000000000000000000000000	22-01-131577
Cl[C@H]([C@H]1[C@@H]([C@H]2O[C@H]2C1)C=CCC=CCCCCC(=O)O)CC	PC-id_44566926	326.858	BUSAMCWWFKPNGV-ULQWZQFMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-131578
O=C(O)CCCC/C=C/C/C=C/C1C2OC2CC1C(Cl)CC	CNP0227760,PC-id_75072223	326.858	BUSAMCWWFKPNGV-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-131579
Clc1ccccc1Cc1ccc(cc1)OC1CC2C(C1)C2(C)C	PC-id_122447874,SCHEMBL17969828	326.86	RNYYXVOIPFTQOI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131580
OC[C@H]1C[C@H]([C@H]2[C@H]1[C@H]2[Si](C)(C)C)Nc1ncnc(c1N)Cl	PC-id_101208451	326.897	LYGGFLSSSVDYGB-ZXUATJPGSA-N	00100010000010100001010000000000000000000000000000000000	22-01-131581
OC[C@@H]1C[C@@H]([C@@H]2[C@@H]1[C@@H]2[Si](C)(C)C)Nc1ncnc(c1N)Cl	PC-id_101208452	326.897	LYGGFLSSSVDYGB-YOQJGNTNSA-N	00100010000010100001010000000000000000000000000000000000	22-01-131582
ClCC(C1CC2(OC2C(C1)C)C)(C1CC2(OC2C(C1)C)C)C	PC-id_59720808,SCHEMBL14183516	326.901	DJIVARZGWOEVNS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-131583
OC(=O)C(=O)N1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262455249	326.97	RGFQHDQJELJVCX-CRCLSJGQSA-N	00100000000010000000010000000000000000000000000000000000	22-01-131584
CN1CC2CC2CC=C(C1)S(=O)(=O)I	PC-id_164168342	326.979	LOTQBETURKZUIJ-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-131585
OC(=O)CCN1CCC2C(C1)C2(Br)Br	EMOLS-id_262455308	327.013	NHKZDBFJZWYAFE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-131586
OC(=O)CCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262455311	327.013	NHKZDBFJZWYAFE-NKWVEPMBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-131587
C1C2C1CC(C2)NC(=O)NCC3=C(N=C(C=C3)F)Br	PC-id_154772871,EMOLS-id_317375772,MCULE-6198775073	327.038	PFQCOHMQNPGVHX-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-131588
CC1=CC(=C(N=C1CNC(=O)C2CC3CC3N2)Br)F	PC-id_153536949	327.038	WWJPWJZOTPARME-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-131589
CC1=CC(=C(N=C1NC(=O)C2CC3(CC3N2)C)Br)F	PC-id_152480860	327.038	XZJUMKOEZZERAC-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-131590
CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@]3(C[C@@]3(C2)Cl)C=O	PC-id_162367452	327.07	BDMKKOOGLWONPG-CABCVRRESA-N	00100000000000110100010000000000000000000000000000000000	22-01-131591
C1C2C1(C2NC(=O)COC3=CC(=C(C=C3)Cl)F)NC(=O)CN	PC-id_155285824	327.079	NZSMVGJDGIRYMM-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-131592
C1C(N(C2C(O1)O2)C(=O)/C=C/C3=CSC=C3)CC4=CC=CC=C4	PC-id_153249515	327.093	WTATWIUZCKVNKA-VOTSOKGWSA-N	00100000100110110001010000000000000000000000000000000000	22-01-131593
CC(=O)OC1COC2C(C1OC(=O)C)[I+]2	PC-id_135045248	327.093	CSGMXXFLAARTMK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-131594
CC1(C2C1[C@H](N(C2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC)C	PC-id_153251025	327.094	WTIDRRZOXAOBDK-BPCQOVAHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131595
CCOC(=O)[C@]1(CC[C@H]2C[C@H]2[C@@H]1NC3=NC(=NC=C3F)Cl)C	PC-id_153694648	327.115	WYKWFFDNERCWGZ-NVZXWFNYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-131596
CCOC(=O)[C@@]1(CC[C@@H]2C[C@@H]2[C@H]1NC3=NC(=NC=C3F)Cl)C	PC-id_153694649	327.115	WYKWFFDNERCWGZ-NTDWFJSYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-131597
CN(CC1=C(CC(C2C1C2)Cl)Cl)CC(C1=CCCC=C1)O	PC-id_163561233	327.116	FRJNWBQYPPQIBD-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-131598
Ic1ccc(CN2C(=O)C3C(C3)C2=O)cc1	PC-id_65489723	327.118	QRUOPYSIXIWHJK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131599
CC1=CC(=CC=C1)C2=C(N=C(S2)N)C(=O)N3C[C@@H]4C[C@@H]4[C@H]3C[NH-]	PC-id_161888324	327.129	YDUBTHYMPROOGR-RWMBFGLXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131600
CC1=CC(=CC=C1)C2=C(N=C(S2)N)C(=O)N3[C@@H](C[C@H]4[C@@H]3C4)C[NH-]	PC-id_154135484	327.129	TUAPKNJYYJCYCD-AGIUHOORSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131601
C1C2C1CN(C2)C(=NC(=NC3=CC=C(C=C3)OC(F)(F)F)N)N	SCHEMBL18197781,PC-id_154003137,PC-id_122656919	327.131	RHNZWUKEMRTFRL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131602
CCOC(=O)C1C2C(C2C(=O)O)CC(=O)N1C(=O)OC(C)(C)C	PC-id_161250599	327.132	VBFHXIJPUWKUEU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-131603
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)O)C2)Nc1cncc(n1)Br	SCHEMBL18549448	327.134	AACZMAHANAIWDZ-QYNIQEEDSA-N	00100010000000100001010000000000000000000000000000000000	22-01-131604
CCN(C[C@H]1CC2C(O2)C(=N1)N)C3=C(C=C(C=C3)C(F)(F)F)C	PC-id_153064749	327.156	VKDMAYOBRXSTTA-LMWSTFAQSA-N	00100000000011110000010000000000000000000000000000000000	22-01-131605
CCOC1=NOC(=C1)C(=O)NC2[C@H]3[C@@H]2CN(C3)CC4=CC=CC=C4	PC-id_154785016	327.158	HLUHZFAUAMIPGV-VMZNBEPHSA-N	00100010100000110001010000000000000000000000000000000000	22-01-131606
Ic1ccccc1C(=O)N1C2C1CCCC2	PC-id_101018024	327.161	DAJAEGDWGLKRBT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131607
Ic1ccc(NC(=O)C2C3C2CCC3)cc1	PC-id_79600560	327.161	HYCOBSFHLKUOTC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131608
Ic1ccc(NC(=O)C2CC3C(C3)C2)cc1	PC-id_80467603	327.161	WHYAWEZBRAAFPW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131609
Ic1cc(NC(=O)C2C3C2CCC3)ccc1	PC-id_79672848	327.161	GZZFBHTVACTIRH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131610
Ic1cc(NC(=O)C2CC3C(C3)C2)ccc1	PC-id_80467624	327.161	ANBJSOSYBXGOST-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131611
Ic1c(NC(=O)C2C3C2CCC3)cccc1	PC-id_79777528	327.161	SOFMJZGFQLCCCA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131612
Ic1c(NC(=O)C2CC3C(C3)C2)cccc1	PC-id_80467625	327.161	PTBWPWJIYKJBEM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131613
CCCC1C2(C(C2OC(=O)C)C([C@@H](O1)OC(=O)C)NC(=O)C)C	PC-id_163605589	327.168	HBMDIGJPINKAMV-BAPHQMLMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-131614
CC(C)N1CC2C(C1)C2C[N-]CC3=CC(=CC=C3)OC(F)(F)F	PC-id_154495142	327.169	HYRMZDCSBKIVPR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131615
Brc1cc(c(o1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	EMOLS-id_320323480,MCULE-3713644055	327.174	WQUHDMPOOQGONA-OQPBUACISA-N	00100000101010000000010000000000000000000000000000000000	22-01-131616
Brc1oc(c(c1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	EMOLS-id_319380347	327.174	CPHDYAUTHUDYQO-OQPBUACISA-N	00100000101010000000010000000000000000000000000000000000	22-01-131617
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cc(c(o1)Br)C	MCULE-3862793134,EMOLS-id_319980830	327.174	AOZLGNUFRGBOLV-OQPBUACISA-N	00100000101010000000010000000000000000000000000000000000	22-01-131618
OC[C@]12C[C@H]1CCCN2C(=O)c1c[nH]c(=O)c(c1)Br	EMOLS-id_320269959,MCULE-2069704992	327.174	MMDHBDOBUAITGA-NOZJJQNGSA-N	00100000000010101000010000000000000000000000000000000000	22-01-131619
O=C(C(Cc1ccncc1Br)O)N[C@@]12COC[C@@H]1C2	EMOLS-id_319091149	327.174	LGHLEKXUGVVWPU-NTPLCPOISA-N	00100010000000101000010000000000000000000000000000000000	22-01-131620
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1[nH]nc(c1Br)C	MCULE-5129757870,EMOLS-id_320040065	327.177	KWPZHXOMVIBSPV-KRTXAFLBSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131621
CC12C=C1C(=CC=C2OC3CCC[C@@H](C3)CO)/C(=C(CO)/C#C)/N	PC-id_164901532	327.183	ZHDYHVDEPZYGHB-IYNVWNTQSA-N	00110000000011000000010000000000000000000000000000000000	22-01-131622
COc1cc(F)c(cc1C(=O)C1C2C1CCCC2)Br	PC-id_113811026	327.189	IOXXQJDLLNFMKG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131623
CC1=CC=C(C=C1)C(C)(C)C2=CC3=C(C3CC4=CC=C(C=C4)N)C=C2	PC-id_147271115	327.199	CQKYUIZIIGLKSQ-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-131624
CCC12C(C1C(=O)O)CC(C2=O)Cc1cccc(c1Cl)Cl	SCHEMBL8763981,PC-id_67685210	327.202	OZZHDAAVNREJRZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131625
CCC1(C(=O)O)C2C1CC(C2=O)Cc1cccc(c1Cl)Cl	PC-id_67720869,SCHEMBL8901250	327.202	MCLYSLKBEZIPEN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131626
Ic1ccc(CC2(CC3C(C3)C2)CN)cc1	PC-id_80469288	327.204	OLIWTUKRFUWLMK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131627
NC(C1C2C1CCC2)Cc1ccc(cc1)I	PC-id_115864052	327.204	BLLFOZNPWVAJNZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131628
NC(C1CC2C(C1)C2)Cc1ccc(cc1)I	PC-id_115864253	327.204	FTWUTKGFNJXBSI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131629
CC(C)(C)OC(=O)N(CC1C2C1CC(C2)O)C(=O)OC(C)(C)C	PC-id_154696883	327.205	HOKVLHMTIARALZ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-131630
CC(C)(C)OC(=O)N(CC1[C@H]2[C@@H]1CC(C2)O)C(=O)OC(C)(C)C	PC-id_155231255	327.205	HOKVLHMTIARALZ-UNTZMWQOSA-N	00100010000010000000010000000000000000000000000000000000	22-01-131631
C12CCCCC1C2C(=O)NN=Cc1cc(Cl)cc(Cl)c1O	MCULE-7490671323	327.206	VLEVRRXRGIYNHJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131632
C1C=C(C=CC1N2C=CC(=NC2=O)N)CCCN3C[C@@H]4C(C3)C4N	PC-id_155006486	327.206	JYWDDSFASONFSV-NUHCZIBGSA-N	00100010000011100001110000000000000000000000000000000000	22-01-131633
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C1CC[C@H]2[C@@H](C1)C2C(=O)N/N=Cc1cc(cc(c1O)Cl)Cl	PC-id_135893586	327.206	VLEVRRXRGIYNHJ-FQSNHGNVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131635
C1CC[C@H]2[C@H](C1)C2C(=O)N/N=Cc1cc(cc(c1O)Cl)Cl	PC-id_136856979	327.206	VLEVRRXRGIYNHJ-IDGQIVDQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131636
C1CC[C@@H]2[C@@H](C1)C2C(=O)N/N=Cc1cc(cc(c1O)Cl)Cl	PC-id_136856980	327.206	VLEVRRXRGIYNHJ-SNUQXLNVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131637
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Clc1ccc(c(c1)CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cl	MCULE-9691936026,EMOLS-id_319954098	327.206	LMYJHTUUCJIOLK-BMIGLBTASA-N	00100000000010110000010000000000000000000000000000000000	22-01-131639
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ClC1=CC(=CC(=CNNC(=O)C2[C@@H]3[C@H]2CCCC3)C1=O)Cl	PC-id_6852579	327.206	XSXSPEJZRFKMIK-QYJAPNMZSA-N	00100000000011000000010000000000000000000000000000000000	22-01-131642
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Clc1cc(/C=NNC(=O)[C@@H]2[C@H]3[C@@H]2CCCC3)c(c(c1)Cl)O	CoCoCo_601036	327.206	VLEVRRXRGIYNHJ-BDVOHQEASA-N	00100000000010110000010000000000000000000000000000000000	22-01-131643
Clc1cc(/C=N/NC(=O)[C@@H]2[C@H]3[C@@H]2CCCC3)c(c(c1)Cl)O	CoCoCo_601037	327.206	VLEVRRXRGIYNHJ-BYNGNSFESA-N	00100000000010110000010000000000000000000000000000000000	22-01-131644
Clc1cc(/C=NNC(=O)[C@@H]2[C@@H]3[C@H]2CCCC3)c(c(c1)Cl)O	CoCoCo_601038	327.206	VLEVRRXRGIYNHJ-VGCBCHESSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131645
Clc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3[C@H]2CCCC3)c(c(c1)Cl)O	CoCoCo_601039	327.206	VLEVRRXRGIYNHJ-QASYGRJISA-N	00100000000010110000010000000000000000000000000000000000	22-01-131646
CNC(=NC)/C=CN(C=O)C1=CC=C(C=C1)CN2CC3C(C2)C3N	PC-id_155006563	327.206	SPGDOJGNHVMYNR-FPLPWBNLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131647
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1Cl)Cl)C	EMOLS-id_318897036	327.206	BULBPLIQCVIXBD-PSLIRLAXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131648
Oc1c(Cl)cc(Cl)cc1/C=N/NC(=O)C1C2CCCCC12	PC-id_135472457,EMOLS-id_25843523	327.206	VLEVRRXRGIYNHJ-CNHKJKLMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131649
c1cc(c(cc1C(F)(F)F)O)C(=O)Nc1cc(c2c(c1O)O2)O	PC-id_90740563	327.212	RHCBXDMMOWUFMU-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-131650
c1cc(c(cc1C(F)(F)F)O)C(=O)NC1=CC(=O)C2C(C1=O)O2	PC-id_86662484,SCHEMBL115015	327.212	OJJBSZJWWCOVTH-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-131651
Brc1c(C(O)C2C3C2CCC3)cc(OC)c(OC)c1	PC-id_81644495	327.214	LILIVGZZNXXTGR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131652
Brc1c(C(O)C2CC3C(C3)C2)cc(OC)c(OC)c1	PC-id_80470799	327.214	BLDHBRANNKFDDG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131653
COc1cc(Br)c(cc1C(C1C2C1CCC2)O)OC	PC-id_105057097	327.214	KTVIBQUDYIBDQC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131654
COc1cc(Br)c(cc1C(C1CC2C(C1)C2)O)OC	PC-id_105057004	327.214	JMGDVBSENJXBOU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131655
COc1c(ccc(c1Br)OC)C(C1C2C1CCC2)O	PC-id_116465971	327.214	KJCIMTVQYJTYHD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131656
COc1c(ccc(c1Br)OC)C(C1CC2C(C1)C2)O	PC-id_116466118	327.214	JFOBLTUXYYNASA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131657
Brc1c(n(nc1C)CC)CC1(CC2C(C2)C1)C(=O)O	PC-id_80467875	327.217	ZRLUGXGITKUFNN-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131658
Brc1c(n(nc1CC)C)CC1(CC2C(C2)C1)C(=O)O	PC-id_80468115	327.217	RHFXCUCPPDQBAM-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131659
COCCn1ncc(c1C(=O)C1C2C1CCCC2)Br	PC-id_115806022	327.217	BNNVGBGMJGCCTE-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131660
CCCCn1ncc(c(c1=O)Br)NC1C2C1CNC2	PC-id_114443927	327.22	VJSBPEHSUCXWTB-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-131661
CC(Cn1ncc(c(c1=O)Br)NC1C2C1CNC2)C	PC-id_114443919	327.22	KEPRHMAQMPVQMG-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-131662
CN(C(=O)NC1CC2C(C1)C2)CCn1ncc(c1)Br	EMOLS-id_102207634	327.22	LICKPJKCHXTGJY-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131663
CCCCCCCCOP1(=O)CC2C(C1)(C2(Cl)Cl)C	PC-id_101877697	327.227	LJZWJUZSZXFKDH-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-131664
CC(CCCCCOP1(=O)CC2C(C1)(C2(Cl)Cl)C)C	PC-id_101877698	327.227	JLHOJQOVDGYWDB-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-131665
NNC(C1C2C1CCCC2)Cc1cc(Br)ccc1F	PC-id_105294962	327.235	RDVSKYUZVFADOK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131666
NNC(C1C2C1CCCC2)Cc1ccc(c(c1)Br)F	PC-id_105290474	327.235	VRWQRQAZPGAFIE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131667
NNC(C1C2C1CCCC2)Cc1ccc(cc1Br)F	PC-id_105296713	327.235	QVKXDLNBVDYALF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131668
NNC(C1C2C1CCCC2)Cc1cccc(c1Br)F	PC-id_105327135	327.235	PQBMPSWWZBIOCU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131669
NNC(C1C2C1CCCC2)Cc1ccc(cc1F)Br	PC-id_113700717	327.235	IMPBZZWURNOVOE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131670
NNC(C1C2C1CCCC2)Cc1cc(F)ccc1Br	PC-id_105297076	327.235	IMJQDDJUAPYVMK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131671
NNC(C1C2C1CCCC2)Cc1cc(F)cc(c1)Br	PC-id_113703445	327.235	VOGYTKXANIUBIN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131672
Brc1ccc(/C=NNC(=O)C2C3CCCCC23)s1	EMOLS-id_26765888,TIMTEC339660,MCULE-4655617875	327.24	NQPYXXXQMQQTEN-CHHVJCJISA-N	00100000100110000000010000000000000000000000000000000000	22-01-131673
Brc1sc(/C=N/NC(=O)C2[C@H]3[C@@H]2CCCC3)cc1	PC-id_11891915	327.24	NQPYXXXQMQQTEN-LFYWIHLCSA-N	00100000100110000000010000000000000000000000000000000000	22-01-131674
Brc1sc(C=NNC(=O)C2[C@H]3[C@@H]2CCCC3)cc1	PC-id_5394154	327.24	NQPYXXXQMQQTEN-DHHPTOIESA-N	00100000100110000000010000000000000000000000000000000000	22-01-131675
C12CCCCC1C2C(=O)NN=Cc1ccc(Br)s1	MCULE-1223108140,PC-id_5170222	327.24	NQPYXXXQMQQTEN-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-131676
O=C(C1[C@H]2[C@H]1CCCC2)N/N=C/c1ccc(s1)Br	PC-id_98048546	327.24	NQPYXXXQMQQTEN-XDBQGIMCSA-N	00100000100110000000010000000000000000000000000000000000	22-01-131677
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N/N=Cc1ccc(s1)Br	CoCoCo_1929549	327.24	NQPYXXXQMQQTEN-RGHPDCKLSA-N	00100000100110000000010000000000000000000000000000000000	22-01-131678
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N/N=C/c1ccc(s1)Br	CoCoCo_1929550	327.24	NQPYXXXQMQQTEN-YFRNXHTBSA-N	00100000100110000000010000000000000000000000000000000000	22-01-131679
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)N/N=Cc1ccc(s1)Br	CoCoCo_1929551	327.24	NQPYXXXQMQQTEN-JAFVDITQSA-N	00100000100110000000010000000000000000000000000000000000	22-01-131680
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)N/N=C/c1ccc(s1)Br	CoCoCo_1929552	327.24	NQPYXXXQMQQTEN-PZJKMYCQSA-N	00100000100110000000010000000000000000000000000000000000	22-01-131681
C1CC2C(C1)C2=C=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl	PC-id_135072018	327.247	JQDWHEUAMYHUDP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131682
Cc1c(Cl)cc(C(=O)N2C[C@H]3[C@H](CN(C)C)[C@H]3C2)cc1Cl	EMOLS-id_46604430,MCULE-6147014651,ZINC22_101930801	327.249	SZQFFIFPNNEUQI-XYYAHUGASA-N	00100010000000110000010000000000000000000000000000000000	22-01-131683
CCCN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C1	ZINC22_207076288	327.249	AJYQQHRESICHPO-GJZGRUSLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131684
CCCN1C[C@@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1	ZINC22_207076329	327.249	AJYQQHRESICHPO-HUUCEWRRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131685
CCCN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1	ZINC22_254014807	327.249	AJYQQHRESICHPO-QKDCVEJESA-N	00100010000000110000010000000000000000000000000000000000	22-01-131686
BrCC1(CC2C(C2)C1)Cc1scc(Br)c1	PC-id_80473086	350.113	WMZIJEFOJUDTKA-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142457
Clc1cc(C(=O)N2C[C@@H]3[C@@H](C3CN(C)C)C2)cc(Cl)c1C	PC-id_72847602	327.249	SZQFFIFPNNEUQI-YHWZYXNKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131687
Clc1cc(C(=O)NCC2C3C2CN(C3)CCC)cc(Cl)c1	PC-id_75245392	327.249	AJYQQHRESICHPO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131688
Clc1cc(C(=O)NCC2[C@@H]3[C@H]2CN(C3)CCC)cc(Cl)c1	PC-id_46943255	327.249	AJYQQHRESICHPO-GOOCMWNKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131689
O=C(C1[C@@H]2[C@H]1CNC2)NC(Cc1ccc(c(c1)Cl)Cl)(C)C	PC-id_121419230,SCHEMBL17849913	327.249	YXENFFRLWPHRCA-BVUQATHDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131690
O=C([C@@H]1[C@@H]2[C@H]1CNC2)NC(Cc1ccc(c(c1)Cl)Cl)(C)C	SCHEMBL17849511	327.249	YXENFFRLWPHRCA-YABSGUDNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131691
BrC(C1C2C1CCC2)c1ccc(cc1)c1ccccc1	PC-id_81637642	327.258	QONMNAIXNDCODE-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-131692
BrC(C1CC2C(C2)C1)c1ccc(cc1)c1ccccc1	PC-id_80469248	327.258	LEVFFEDJLBOYOU-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-131693
Brc1c(n(nc1CC)CC)CC1(CC2C(C2)C1)CO	PC-id_80472961	327.26	VQAOWUVARODDEY-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131694
CCc1nn(c(c1Br)CC(C1C2C1CCCC2)O)C	PC-id_115810643	327.26	ZWCFAXDVHMIWJL-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131695
CCn1nc(c(c1CC(C1C2C1CCC2)O)Br)CC	PC-id_115816214	327.26	IFYTWHUCQPVWRB-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131696
CCn1nc(c(c1CC(C1C2C1CCCC2)O)Br)C	PC-id_115812980	327.26	AQRISUHSISRRLO-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131697
CCn1nc(c(c1CC(C1CC2C(C1)C2)O)Br)CC	PC-id_115816242	327.26	YXWQWFMMDYAOBX-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131698
CCc1nn(c(c1Br)CC(C1C2C1CCC2)NN)C	PC-id_113702578	327.263	UQEAXQUUGPRKDR-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131699
CCc1nn(c(c1Br)CC(C1CC2C(C1)C2)NN)C	PC-id_105314902	327.263	CLDLYXQKLNRIHR-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131700
CCCn1ncc(c1C(C1C2C1CCCC2)NN)Br	PC-id_113704760	327.263	YPOHJSJODOZUCG-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131701
CCCNC(c1c(Br)nnn1C)C1C2C1CCCC2	PC-id_106465105	327.263	LYAOXHYPYZIMEG-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131702
NC(c1c(Br)cnn1CCN(C)C)C1C2C1CCC2	PC-id_105040990	327.263	GKMQZTIAPHBEAL-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131703
NC(c1c(Br)cnn1CCN(C)C)C1CC2C(C1)C2	PC-id_105041054	327.263	RFBWNXQAKFSFAQ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131704
NNC(C1C2C1CCC2)Cc1n(CC)nc(c1Br)C	PC-id_113702731	327.263	XIHPPQKQCXDCMH-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131705
NNC(C1C2C1CCCC2)Cc1n(C)nc(c1Br)C	PC-id_105317870	327.263	JCBRRAUSVHKMCS-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131706
NNC(c1c(Br)cnn1C(C)C)C1C2C1CCCC2	PC-id_105337032	327.263	LRVXMUODJYUOPZ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131707
NNC(C1CC2C(C1)C2)Cc1n(CC)nc(c1Br)C	PC-id_105316680	327.263	OVCBPAIIPOZALI-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-131708
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1)OC)OC(F)F	EMOLS-id_319280984	327.323	WBHKTADXSMGMOH-BDJLRTHQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131730
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1c(F)cc(cc1F)OC)C(=O)O	MCULE-6142836394,PC-id_135119606,EMOLS-id_317351874,ZINC22_1704340868	327.28	VXAMMDDNXPLPGT-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131709
FC1(C2C1CC(OCc1ccc(F)cc1)C2(N)C(=O)O)C(=O)O	PC-id_21071980	327.28	XFVJUICKOZNRAN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131710
F[C@]1(C2C1CC(OCc1ccc(F)cc1)C2(N)C(=O)O)C(=O)O	PC-id_49823796	327.28	XFVJUICKOZNRAN-ZPZKJRJUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131711
Fc1cc(COC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)ccc1F	PC-id_72966250,SCHEMBL20722216	327.28	OKBTYHHXUOFYFO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131712
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(F)c1)[C@]2(F)C(=O)O)C(=O)O	BindingDB-id_914880,PC-id_137480284,SCHEMBL20722238	327.28	YKPDUULXXDPIGO-ZNLHFFCSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131713
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)c(F)c1)[C@@H]2C(=O)O)C(=O)O	SCHEMBL20730930,BindingDB-id_914896,PC-id_11450244	327.28	OKBTYHHXUOFYFO-GTBYETLCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131714
N[C@@]1(C(=O)O)[C@H](OCc2ccc(F)cc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	SCHEMBL4964079,CHEMBL189139,BindingDB_PC-id_11450243,PC-id_11450243	327.28	XFVJUICKOZNRAN-ZNLHFFCSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131715
C1CC2C(C1N(C(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-])O2	PC-id_89766259,SCHEMBL15209330	327.29	CXMLFFRWVHMACM-UHFFFAOYSA-M	00100010000000110000010000000000000000000000000000000000	22-01-131716
FC(F)(F)C(=O)N([C@H]1[C@@]2(C(C2)CC1)C(=O)O)Cc1ccccc1	PC-id_16098057	327.298	WYBNLTDXAVQYQZ-AADWAWOOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131717
FC(F)(F)c1cc(NC(=O)CNC(=O)C2C3C2CNC3)ccc1	PC-id_77474316	327.302	XOIVTQMFYXHYCT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131718
FC(F)(F)c1cc(NC(=O)CNC(=O)C2[C@@H]3[C@H]2CNC3)ccc1	PC-id_68308493	327.302	XOIVTQMFYXHYCT-QYJAPNMZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131719
NC(=O)c1cccc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)c1	EMOLS-id_316797875,ZINC22_1615547599,MCULE-3985619818	327.302	UPHDTTOJAFODQJ-ZIAGYGMSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131720
NC(=O)c1ccc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cc1	ZINC22_1615545298,EMOLS-id_316797365,MCULE-8064436436	327.302	FQTFFFCGTRXRTL-ZIAGYGMSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131721
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1cccc(n1)C(F)(F)F	EMOLS-id_318980122	327.302	KMXZBSAEJBGNJC-OTYXRUKQSA-N	00100000000010101000010000000000000000000000000000000000	22-01-131722
O=C(Nc1cccc(c1)C(F)(F)F)CNC(=O)[C@@H]1[C@@H]2[C@H]1CNC2	SCHEMBL12523734	327.302	XOIVTQMFYXHYCT-PJXYFTJBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131723
C=CCOC(=O)N[C@@]1(C(=O)O)[C@@H](F)CC2[C@H]1[C@H]2C(=O)OCC=C	SCHEMBL19191803	327.305	ZEXMXTNAMWIFGJ-MQBFCFRESA-N	00100010000010000000010000000000000000000000000000000000	22-01-131724
C=CCOC(=O)N[C@@]1(C(=O)O)[C@@H](F)C[C@@H]2[C@@H]1[C@H]2C(=O)OCC=C	PC-id_117987601,SCHEMBL16610654	327.305	ZEXMXTNAMWIFGJ-CNGWGNFVSA-N	00100010000010000000010000000000000000000000000000000000	22-01-131725
C=CCOC(=O)N[C@@]1(C(=O)O)[C@@H](F)C[C@@H]2[C@H]1[C@H]2C(=O)OCC=C	PC-id_117987603,SCHEMBL16610656	327.305	ZEXMXTNAMWIFGJ-DMZJWBPISA-N	00100010000010000000010000000000000000000000000000000000	22-01-131726
NC(=N)N1CC2C(C1)(C2)C(=Nc1ccc(cc1)OC(F)(F)F)N	PC-id_140856277	327.305	XNKFPGXRLRQINS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131727
S(=O)(=O)(N1C2C1CCCC2)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1	PC-id_85964607	327.313	CHGBGLZGJYBNOK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131728
Cn1nccc1[C@H](NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F)C(=O)O	ZINC22_663059267	327.326	DHFUPGFMUJFPDI-JKOKRWQUSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131731
Cn1nccc1[C@H](NC(=O)C[C@@]12CCCC[C@H]1C2(F)F)C(=O)O	ZINC22_663059268	327.326	DHFUPGFMUJFPDI-OSMZGAPFSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131732
Cn1nccc1[C@H](NC(=O)C[C@]12CCCC[C@H]1C2(F)F)C(=O)O	ZINC22_663059269	327.326	DHFUPGFMUJFPDI-SCDSUCTJSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131733
Cn1nccc1[C@H](NC(=O)C[C@]12CCCC[C@@H]1C2(F)F)C(=O)O	ZINC22_663059270	327.326	DHFUPGFMUJFPDI-VHRBIJSZSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131734
COC(=O)c1nn(c(c1)NC(=O)CC12CCCCC1C2(F)F)C	EMOLS-id_319468026	327.326	LGMTWIBSROOEDP-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131735
O=C(CC12CCCCC1C2(F)F)NC(c1ccnn1C)C(=O)O	EMOLS-id_316088300,MCULE-1840638789	327.326	DHFUPGFMUJFPDI-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-131736
O=C(CC12CCCCC1C2(F)F)NCc1cn(C)c(=O)[nH]c1=O	EMOLS-id_319193938	327.326	SUTVPSBOWMSDHX-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-131737
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Cc1nccn1c1ccc([C@H](C)NC(=O)C2[C@H]3CCC[C@H]23)cc1F	PC-id_98542399,ZINC22_104226391	327.396	ARHHDDVZICRIDY-CQDKDKBSSA-N	00100010100010110001110000000000000000000000000000000000	22-01-131863
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Cc1nccn1c1ccc([C@H](C)NC(=O)[C@@H]2[C@H]3CCC[C@@H]23)cc1F	ZINC22_245281329	327.396	ARHHDDVZICRIDY-NVJLRMAKSA-N	00100010100010110001110000000000000000000000000000000000	22-01-131865
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Cn1ccnc1[C@H](NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(F)cc1	ZINC22_248082631	327.396	AQWMTTLGNSDBBM-BFYDXBDKSA-N	00100000100010110001010000000000000000000000000000000000	22-01-131867
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CC(c1ccc(cc1)F)(CNS(=O)(=O)C1C2C1CCCC2)O	EMOLS-id_318926941	327.414	CXPPKALINVAXLA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131903
COc1ccc(cc1F)CCNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_319114972	327.414	CDAIDHKAGIYIDV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131904
COc1cc(CCNS(=O)(=O)C2C3C2CCCC3)ccc1F	EMOLS-id_318862123	327.414	PWEGKKNPUPPXII-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131905
COCCN(C1CC[C@@H]2[C@H]1[C@H]2C(=O)OCC)C(=O)OC(C)(C)C	EMOLS-id_36029074	327.416	MTHNOLDRESDTPQ-RLAWYHOSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-131906
OC[C@@H](C(=O)O)NC12C(=O)C(C)(CCC1C2(C)C)OC(C)(C)C	PC-id_140348029	327.416	RISKBBMUCBTZKP-WRLVMJDZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-131907
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CC(C)(C)OC(=O)N1[C@H]2[C@@]1(/C(=C/C=O)/CCC2)Cc1ccccc1	PC-id_134947708	327.417	HBJJEKXLJVUWFG-WYQFDAARSA-N	00100000000010110000010000000000000000000000000000000000	22-01-131909
C=CCO[C@@H]1CCN([C@H]1Cc1ccccc1)C(=O)C1[C@H]2COC[C@@H]12	EMOLS-id_313740981	327.417	LIXRLIFKRUZASK-QWJAOUKZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131910
C=CCO[C@@H]1CCN(C(=O)[C@H]2[C@H]3COC[C@@H]23)[C@H]1Cc1ccccc1	ZINC22_1565549964	327.417	LIXRLIFKRUZASK-APAFKAMOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131911
C=CCO[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@@H]23)[C@H]1Cc1ccccc1	ZINC22_1565549965	327.417	LIXRLIFKRUZASK-ZWJWXYIHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131912
O=C(C1C2C1CCC2)N1CCC(CC1)Cc1ccccc1C(=O)O	MCULE-9524117320,EMOLS-id_72613091,PC-id_121952076	327.417	ZOQXZIONXKZRFU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131913
O=C(C1C2C1CCCC2)N1CCC(CC1)(C(=O)O)c1ccccc1	PC-id_119168540	327.417	PAYUQUVKZXLEFU-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-131914
C1CCN(C(=O)C1)CC(=O)NC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1	PC-id_136586430	327.421	OONFLYCMPHHBIS-MCPYQZEQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131915
Cc1cccc(c1)N1CCN(CC1)C(=O)C12CN(CC1C2)C(=O)C	MCULE-6635038745,EMOLS-id_320343159,PC-id_139021901	327.421	DCIZXYLZPPHCJO-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-131916
CC1CC(C(=O)N1c1ccccc1)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111243554	327.421	IDGDJOLFAPVJKE-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131917
CC1CCN(CC1)C(=O)c1ccccc1NC(=O)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_319113627	327.421	YZKHMUBBYYHCNN-QLPKVWCKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131918
CC(=C)C(=NC(=NC)N1CC2C(C1)C2CO)c1ccc(cc1)OC	PC-id_89304336	327.421	NFCAJPILMPIMRU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131919
C[C@H]1[C@@H]2CN(C(=O)C(=O)N3CCC(c4cccc(N)c4)CC3)C[C@H]12	ZINC22_2325805020	327.421	JTCIZKRCTNBKAM-IBEGIYRJSA-N	00100010000010110000110000000000000000000000000000000000	22-01-131920
CC(N1CC2C(C1)C2COc1ccc(cc1)c1c(C)onc1N)C	SCHEMBL5598936,PC-id_69501766	327.421	VPHIJMCQDCCVGH-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131921
CCN1C(=O)C[C@@H]([C@H]1c1cccnc1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_101219767	327.421	BKLVIENOCJBYNV-PBMMVSLJSA-N	00100010000000101000110000000000000000000000000000000000	22-01-131922
CC(=O)N1CC2C(C1)(C2)C(=O)NCc1ccccc1N1CCCC1	PC-id_139021909,EMOLS-id_320342648,MCULE-5436821745	327.421	XHFNELLKBQOQDG-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131923
CC(=O)N1C[C@H]2C[C@]2(C(=O)N2CCN(c3cccc(C)c3)CC2)C1	ZINC22_1776008147	327.421	DCIZXYLZPPHCJO-APWZRJJASA-N	00100010000010110001110000000000000000000000000000000000	22-01-131924
CC(=O)N1C[C@@H]2C[C@]2(C(=O)N2CCN(c3cccc(C)c3)CC2)C1	ZINC22_1776008148	327.421	DCIZXYLZPPHCJO-LPHOPBHVSA-N	00100010000010110001110000000000000000000000000000000000	22-01-131925
CC(=O)N1C[C@@H]2C[C@@]2(C(=O)N2CCN(c3cccc(C)c3)CC2)C1	ZINC22_1776008149	327.421	DCIZXYLZPPHCJO-QFBILLFUSA-N	00100010000010110001110000000000000000000000000000000000	22-01-131926
CC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCN(c3cccc(C)c3)CC2)C1	ZINC22_1776008150	327.421	DCIZXYLZPPHCJO-VQIMIIECSA-N	00100010000010110001110000000000000000000000000000000000	22-01-131927
CC(=O)N1C[C@H]2C[C@]2(C(=O)NCc2ccccc2N2CCCC2)C1	ZINC22_1776008234	327.421	XHFNELLKBQOQDG-APWZRJJASA-N	00100010000000110000110000000000000000000000000000000000	22-01-131928
CC(=O)N1C[C@@H]2C[C@]2(C(=O)NCc2ccccc2N2CCCC2)C1	ZINC22_1776008235	327.421	XHFNELLKBQOQDG-LPHOPBHVSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131929
CC(=O)N1C[C@@H]2C[C@@]2(C(=O)NCc2ccccc2N2CCCC2)C1	ZINC22_1776008236	327.421	XHFNELLKBQOQDG-QFBILLFUSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131930
CC(=O)N1C[C@H]2C[C@@]2(C(=O)NCc2ccccc2N2CCCC2)C1	ZINC22_1776008237	327.421	XHFNELLKBQOQDG-VQIMIIECSA-N	00100010000000110000110000000000000000000000000000000000	22-01-131931
CN(CCOc1cc(ccc1C)NC(=O)NC1=CC2C(C=C1)C2)C	PC-id_144100344	327.421	OHQDGQLJOSTUKM-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-131932
CN(C(=O)C1CCN(C1)C(=O)NC1CC2C(C1)C2)c1ccccc1	EMOLS-id_102208843	327.421	IAUVTKCGCDXJHZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131933
N#CC1CN(CCN1C(=O)C1C2C1CCC2)C(=O)C1C2C1CCC2	EMOLS-id_316671424	327.421	XEELSJYSHKHQQN-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-131934
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O=C(C1C2C1CCCC2)N1CCC(CC1)NC(=O)c1ccccn1	MCULE-6858022783,PC-id_75468415,EMOLS-id_48791519	327.421	XWPBKIBFIFEGOZ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-131936
OCC1C2C1CN(C2)/C(=N/C)/N=C(/c1ccc(cc1)OC)C(=C)C	SCHEMBL14316018	327.421	NFCAJPILMPIMRU-FHEVRBNFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131937
O=C(C1CCCN(C1)C(=O)C1C2C1CCC2)Nc1ccc(cn1)C	EMOLS-id_111568638	327.421	ITWGWLIGUILQDJ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-131938
O=C(C1CCCN(C1)C(=O)Nc1ccccc1)NC1CC2C(C1)C2	EMOLS-id_102230133	327.421	YJOJGSLGSYURSS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131939
O=C(C1CCN(CC1)C(=O)C1C2C1CCC2)NCc1cccnc1	EMOLS-id_100336499	327.421	KVLSICGHWNIRIO-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-131940
O=C(C1CCN(CC1)C(=O)C1C2C1CCCC2)Nc1ccncc1	EMOLS-id_48246592,MCULE-2824634216,PC-id_75375543	327.421	VLHDNWAGRAWSQD-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-131941
O=C(C1CCN(CC1)C(=O)C1[C@@H]2[C@H]1CCCC2)Nc1ccncc1	PC-id_97219680	327.421	VLHDNWAGRAWSQD-SJPCQFCGSA-N	00100000000010101000010000000000000000000000000000000000	22-01-131942
O=C(C1CCN(CC1)C(=O)NC1CC2C(C1)C2)Nc1ccccc1	EMOLS-id_102213742	327.421	DBUDBONLFUVSQX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131943
O=C(C1[C@@H]2[C@H]1CCCC2)N1CCC(CC1)NC(=O)c1ccccn1	PC-id_97319943	327.421	XWPBKIBFIFEGOZ-FKEKPDDDSA-N	00100000000010101000010000000000000000000000000000000000	22-01-131944
O=C(Cc1ccccn1)N1CCCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)CC1	ZINC22_1776007389,MCULE-1927569016,EMOLS-id_320367210	327.421	VSOQOZHCIBPNQS-ZSHCYNCHSA-N	00100010000010101101010000000000000000000000000000000000	22-01-131945
O=C(CN1CCCCC1=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12	ZINC22_372588769,MCULE-8993770086,EMOLS-id_316939960	327.421	OONFLYCMPHHBIS-MNZLEMJZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131946
O=C(N1CC2C(C1)C2(C)C)C1CCCN(C1)C(=O)c1ccncc1	EMOLS-id_111161933	327.421	KMVBXKKIITUDHO-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-131947
O=C(N1CC2C(C1)C2(C)C)Nc1ccc(cc1)C(=O)N1CCCC1	EMOLS-id_111850452	327.421	YBSWMKAYWSZXFZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-131948
O=C(N1CC2C(C1)C2(C)C)Nc1cccc(c1)N1CCCCC1=O	EMOLS-id_111853550	327.421	ZTGHESWRCJUVIV-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-131949
O=C(N1CCCN(CC1)C(=O)C1C[C@@H]2[C@H](C1)C2)Cc1ccccn1	PC-id_139020662	327.421	VSOQOZHCIBPNQS-XYPWUTKMSA-N	00100010000010101101010000000000000000000000000000000000	22-01-131950
O=C(N1CCN(CC1)C(=O)C1C2C1CCC2)Nc1ccc(cc1)C	EMOLS-id_111623503	327.421	MFRPUBXNDQKMFY-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-131951
O=C(N1CCN(CC1)C(=O)NC1CC2C(C1)C2)Cc1ccccc1	EMOLS-id_102208927	327.421	MBVAGDHVZIXRID-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-131952
O=C(N1CCN(C(=O)C1)Cc1cc(cc(c1)C)C)C1C2C1CNC2	PC-id_78080714	327.421	BFVQDICIWXRWFP-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-131953
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O=C(Nc1cccc(c1C)C(=O)N1CCCC1)NC1CC2C(C1)C2	EMOLS-id_102200314	327.421	GLRFGTXGCYCMFY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131955
O=C(Nc1ccccc1)CN1CCN(CC1)C(=O)C1C2C1CCC2	EMOLS-id_100338717	327.421	RSLRYAKWMFDOMA-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-131956
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O=C(Nc1ccccc1C(=O)N1CCCCC1)NC1CC2C(C1)C2	EMOLS-id_102187264	327.421	VFXZRMAHVUAPFC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-131958
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O=C(NC1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)CC1)c1ccccn1	ZINC22_252487450	327.421	XWPBKIBFIFEGOZ-QLPKVWCKSA-N	00100000000010101000010000000000000000000000000000000000	22-01-131966
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C[C@@H]([C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1ccccc1)C)N	PC-id_59369804,SCHEMBL2499095	327.444	VNQVGDYVZUXPAO-DVUFPGTOSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131988
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)NCCc1cccs1)Cc1ccccn1	ZINC22_102703432,MCULE-8609052908,EMOLS-id_43153461	327.444	PTZQQLZMSUDPIX-FVQHAEBGSA-N	00100010100100101000010000000000000000000000000000000000	22-01-131989
NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2927914,PC-id_68444173	327.444	DAIYTUIQDGVBSQ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131990
NCC1C2C([C@H]2C)CN1C(=O)c1nc(sc1c1ccccc1)C	PC-id_145526388	327.444	YIBPHPDURHDHLB-HCMZFASKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131991
NCC1C2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL3459375,PC-id_68650119	327.444	DAIYTUIQDGVBSQ-WLYUNCDWSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131992
NCC1CC2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081428,SCHEMBL1572222	327.444	BURBCLDNKTXYCU-NRXISQOPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131993
NCC1[C@H]2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68633343,SCHEMBL3413970	327.444	DAIYTUIQDGVBSQ-SLTAFYQDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131994
NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081169,SCHEMBL1571801	327.444	BURBCLDNKTXYCU-ILXRZTDVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131995
NC[C@@H]1[C@@H]2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68446600,SCHEMBL2933527	327.444	DAIYTUIQDGVBSQ-JVIGXAJISA-N	00100010100000110001110000000000000000000000000000000000	22-01-131996
NC[C@@H]1[C@H]2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68632526,SCHEMBL3411987	327.444	DAIYTUIQDGVBSQ-NOYMGPGASA-N	00100010100000110001110000000000000000000000000000000000	22-01-131997
NC[C@@H]1[C@H]2CC2CN1C(=O)c1nc(sc1c1ccccc1C)C	PC-id_68633331,SCHEMBL3413935	327.444	RKYYQJCXMRGNOC-JQXSQYPDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131998
NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_66998654,SCHEMBL1340026	327.444	DAIYTUIQDGVBSQ-SOUVJXGZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-131999
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1ccccc1C)C	PC-id_68444229,SCHEMBL2928072	327.444	RKYYQJCXMRGNOC-BPLDGKMQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-132000
BrC1CC2([Si](C)(C)C)OC2CC1Br	PC-id_12696385	328.116	QFTMGNKQCZSOJV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132129
NC[C@H]1[C@@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68632529,SCHEMBL3411991	327.444	DAIYTUIQDGVBSQ-ZNMIVQPWSA-N	00100010100000110001110000000000000000000000000000000000	22-01-132001
NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccc(cc1)C)C	PC-id_68633112,SCHEMBL3413297	327.444	GFJPAUSDXDKMOV-SOUVJXGZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-132002
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2923723,PC-id_59153389	327.444	DAIYTUIQDGVBSQ-RBSFLKMASA-N	00100010100000110001110000000000000000000000000000000000	22-01-132003
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1ccc(cc1)C)C	SCHEMBL2930078,PC-id_68445025	327.444	GFJPAUSDXDKMOV-RBSFLKMASA-N	00100010100000110001110000000000000000000000000000000000	22-01-132004
NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccccc1C)C	SCHEMBL3412058,PC-id_68632557	327.444	RKYYQJCXMRGNOC-AEGPPILISA-N	00100010100000110001110000000000000000000000000000000000	22-01-132005
NC[C@H]1[C@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL3459378,PC-id_68650121	327.444	DAIYTUIQDGVBSQ-ILXRZTDVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-132006
O=C(c1cccc(c1)NCc1cncs1)N1CC2C(C1)C2(C)C	EMOLS-id_319780423	327.444	JFWYTYHSKRZWNX-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-132007
O=C(c1c(C)nn(c1Sc1ccccc1)C)NC1CCC2C1C2	EMOLS-id_318458872	327.444	CILFGZMXIATRKA-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-132008
O=C(CC1[C@@H]2[C@H]1CN(C2)Cc1ccc(s1)C)Nc1cccnc1	PC-id_98815681	327.444	XLQCVBHVFSIAOQ-ALOPSCKCSA-N	00100010100100101000010000000000000000000000000000000000	22-01-132009
O=C([C@@H]1C[C@H]2[C@@H](C1)C2)NCCCc1scc(n1)c1ccccn1	EMOLS-id_319116213	327.444	VNCJUHJZPYVJOR-WDNDVIMCSA-N	00100010100010101001110000000000000000000000000000000000	22-01-132010
s1c(CCNC(=O)C2C3C2CN(C3)Cc2ncccc2)ccc1	PC-id_76438058	327.444	PTZQQLZMSUDPIX-UHFFFAOYSA-N	00100010100100101000010000000000000000000000000000000000	22-01-132011
s1c(CCNC(=O)C2[C@@H]3[C@H]2CN(C3)Cc2ncccc2)ccc1	PC-id_56907945	327.444	PTZQQLZMSUDPIX-SJPCQFCGSA-N	00100010100100101000010000000000000000000000000000000000	22-01-132012
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CN)c1cc(ccc1)C	PC-id_77222878	327.444	BURBCLDNKTXYCU-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-132013
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CN)c1c(cccc1)C	PC-id_77501138	327.444	RKYYQJCXMRGNOC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-132014
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CN)c1ccc(cc1)C	PC-id_77501239	327.444	GFJPAUSDXDKMOV-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-132015
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)CN)c1cc(ccc1)C	PC-id_57489347	327.444	DAIYTUIQDGVBSQ-KKUMJFAQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-132016
CCCCOCC1N(CCCC)C(=O)CC2C1(OCCCC)O2	SCHEMBL19575282	327.459	DIZVKDSWWIDTGC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132017
C1(C(=O)N2CCCC(COc3ccccc3C)C2)C2C1CCCC2	EMOLS-id_378762,MCULE-6562774355,LEG-20113673,PC-id_46957897	327.46	PDHRRNVHIMWYKG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132018
Cc1ccccc1OC[C@@H]1CCCN(C(=O)C2[C@H]3CCCC[C@H]23)C1	PC-id_98132687,ZINC22_100731343	327.46	PDHRRNVHIMWYKG-SQNIBIBYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132019
Cc1ccccc1OC[C@@H]1CCCN(C(=O)C2[C@@H]3CCCC[C@@H]23)C1	ZINC22_248028620	327.46	PDHRRNVHIMWYKG-KZNAEPCWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132020
Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)C1	CoCoCo_453324,ZINC22_248028625	327.46	PDHRRNVHIMWYKG-XSYGEPLQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132021
Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)C1	ZINC22_248028623,CoCoCo_453325	327.46	PDHRRNVHIMWYKG-PNYFIKQUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132022
O=C(C1[C@@H]2[C@H]1CCCC2)N1CCC[C@H](C1)COc1ccccc1C	PC-id_92562107	327.46	PDHRRNVHIMWYKG-FFELKDMISA-N	00100000000010110000010000000000000000000000000000000000	22-01-132023
O=C(C1[C@@H]2[C@H]1CCCC2)N1CCC[C@@H](C1)COc1ccccc1C	PC-id_92562108	327.46	PDHRRNVHIMWYKG-KLYKLPNCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132024
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N1CCC[C@H](C1)COc1ccccc1C	CoCoCo_453326	327.46	PDHRRNVHIMWYKG-FTEYMNFISA-N	00100000000010110000010000000000000000000000000000000000	22-01-132025
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N1CCC[C@@H](C1)COc1ccccc1C	CoCoCo_453327	327.46	PDHRRNVHIMWYKG-GNBUJSLZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132026
OC(=O)C(Cc1ccc(cc1)CCCCC1C(=C)CCC2C1C2)N	PC-id_144212825	327.46	FQKLOSLKIYOUAE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132027
Cc1ccc(cc1)N(C1=CC2C(C=C1)(C2)/C=C(c1ccccc1)/C)C	PC-id_142384498	327.462	DXWOEDIJNGYTRP-MNDPQUGUSA-N	00100000000011110000010000000000000000000000000000000000	22-01-132028
CS(=O)c1ccc(cc1)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318783081	327.462	LJMWNZJRGIECDZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132029
C12(CC)CN(CC1C2)C(=O)CN1CCN(CC1)c1cccc(C)c1	MCULE-7912091366,EMOLS-id_317868746	327.464	QVAWLYQUNAUFQS-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-132030
Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CCCC4CCCC4)C[C@H]23)cn1	ZINC22_958230382	327.464	SHBXCFCVBFKIJV-BWTSREIZSA-N	00100010000000101000010000000000000000000000000000000000	22-01-132031
CC1CCN(CC1)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2	EMOLS-id_318303048	327.464	BONLLGFTRUKDAC-QRVBRYPASA-N	00100010000010110000010000000000000000000000000000000000	22-01-132032
CC[C@]12C[C@H]1CN(C(=O)CN1CCN(c3cccc(C)c3)CC1)C2	ZINC22_1772816442	327.464	QVAWLYQUNAUFQS-FXAWDEMLSA-N	00100010000010110001110000000000000000000000000000000000	22-01-132033
CC[C@@]12C[C@H]1CN(C(=O)CN1CCN(c3cccc(C)c3)CC1)C2	ZINC22_1772816443	327.464	QVAWLYQUNAUFQS-PXNSSMCTSA-N	00100010000010110001110000000000000000000000000000000000	22-01-132034
CC[C@@]12C[C@@H]1CN(C(=O)CN1CCN(c3cccc(C)c3)CC1)C2	ZINC22_1772816445	327.464	QVAWLYQUNAUFQS-XLIONFOSSA-N	00100010000010110001110000000000000000000000000000000000	22-01-132035
CC[C@]12C[C@@H]1CN(C(=O)CN1CCN(c3cccc(C)c3)CC1)C2	ZINC22_1772816447	327.464	QVAWLYQUNAUFQS-YLJYHZDGSA-N	00100010000010110001110000000000000000000000000000000000	22-01-132036
CC(=O)N1CCN(CC1)c1ccccc1CNC1CCC[C@@H]2[C@H]1C2	EMOLS-id_318296137	327.464	RYTPAXMIAFDEEZ-CXEJCQMISA-N	00100000000010110001110000000000000000000000000000000000	22-01-132037
[C@H]1(C(=O)N2CCCN(CCCc3ccccc3)CC2)[C@H]2[C@@H]1CNC2	MCULE-6288789934,EMOLS-id_44450817,ZINC22_102829922	327.464	VWHOGUFEZBVXQW-BWTSREIZSA-N	00100010000000110101010000000000000000000000000000000000	22-01-132038
CN1CCC(CC1)(C)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319505721	327.464	ZIMUMCYPMLDNNW-PIIMJCKOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132039
CN([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1ccccc1NC1CCCCC1)C	EMOLS-id_319673380	327.464	XRXDQASRQJZMRS-DZFIZOCASA-N	00100010000010110000010000000000000000000000000000000000	22-01-132040
NCC(C1CCCCN1C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)Cc1ccccc1	EMOLS-id_319657562	327.464	YMXNCFNAUUMZRY-VQMSXANVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132041
N#CC(=C(C)C)N=C(N1CCC(C2C1C2)OCC1(C)CC1)C(=C)C	PC-id_142492075	327.464	GJBBWHCBXXVJSE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132042
O=C(C1CC[C@@H]2[C@H](CC1)C2)N1CCC(CC1)c1cnc(cc1C)N	EMOLS-id_319915972	327.464	IQKJKRZNRYJHSL-ALOPSCKCSA-N	00100000000010101100110000000000000000000000000000000000	22-01-132044
O=C(C(c1ccccc1)C1CCCCC1)NC(C12CNCC2C1)N	PC-id_69526333,SCHEMBL5669344	327.464	UZDRGNHRSSBOOS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132045
O=C([C@@H]1CCN([C@@H](C1)C)C)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-1076587047,EMOLS-id_320200783	327.464	TUEFJDBBAYAKHZ-DBDQLMEASA-N	00100010000010110000010000000000000000000000000000000000	22-01-132046
O=C([C@@H]1[C@@H]2[C@H]1CNC2)NCc1ccccc1CN1CCCCC1C	EMOLS-id_319353799	327.464	AMWQCNZFPMHWCW-YIPCZNSISA-N	00100010000010110000010000000000000000000000000000000000	22-01-132047
O=C([C@@H]1[C@@H]2[C@H]1CNC2)NCc1cccc(c1)CN1CCCCCC1	EMOLS-id_319660631	327.464	HOIRLFIYUSMWRT-BWTSREIZSA-N	00100010000000110100010000000000000000000000000000000000	22-01-132048
O=C([C@H](c1ccccc1)C1CCCCC1)NC(C12CNCC2C1)N	SCHEMBL3918645,PC-id_68839157	327.464	UZDRGNHRSSBOOS-KWTWZXGMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132049
O=C(N1CCN(CCC1)CCCc1ccccc1)C1C2C1CNC2	PC-id_77919157	327.464	VWHOGUFEZBVXQW-UHFFFAOYSA-N	00100010000000110101010000000000000000000000000000000000	22-01-132050
O=C(N1CCN(CCC1)CCCc1ccccc1)C1[C@H]2[C@@H]1CNC2	PC-id_70782910	327.464	VWHOGUFEZBVXQW-DFNIBXOVSA-N	00100010000000110101010000000000000000000000000000000000	22-01-132051
O=C(NCc1ccccc1N1CCCCC1)N[C@@]12CCCC[C@H]1C2	ZINC22_1671124520	327.464	FVUDOGVKMMTIOZ-FXAWDEMLSA-N	00100000000010110000110000000000000000000000000000000000	22-01-132052
O=C(NCc1ccccc1N1CCCCC1)N[C@]12CCCC[C@H]1C2	ZINC22_1671124521	327.464	FVUDOGVKMMTIOZ-PXNSSMCTSA-N	00100000000010110000110000000000000000000000000000000000	22-01-132053
O=C(NCc1ccccc1N1CCCCC1)N[C@]12CCCC[C@@H]1C2	ZINC22_1671124522	327.464	FVUDOGVKMMTIOZ-XLIONFOSSA-N	00100000000010110000110000000000000000000000000000000000	22-01-132054
O=C(NCc1ccccc1N1CCCCC1)N[C@@]12CCCC[C@@H]1C2	ZINC22_1671124523	327.464	FVUDOGVKMMTIOZ-YLJYHZDGSA-N	00100000000010110000110000000000000000000000000000000000	22-01-132055
CCN1CCN(CC1)C1CN(C1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_319709091	327.485	USJCGORFBQJAEC-UHFFFAOYSA-N	00101000000010000001110000000000000000000000000000000000	22-01-132056
CN1CCN(CC1)CC1CN(C1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_320138490,MCULE-4978765056	327.485	WXPYHLXOBIFOAM-UHFFFAOYSA-N	00101000000010000001010000000000000000000000000000000000	22-01-132057
C=C(C1[C@@H]2[C@@H](C2C)CN1C(=C)C)NC(C(=C)C(=C)N)CC1CCC1	PC-id_143352478	327.507	IIWIOPZNRVXGSX-NWFFRQKESA-N	00101010000000000000010000000000000000000000000000000000	22-01-132058
CCN1CCN(CC1)Cc1ccccc1CNC1CCC[C@@H]2[C@H]1C2	EMOLS-id_318079179	327.507	OEACVWUKGHEXTG-DVUUQMMQSA-N	00100000000010110001010000000000000000000000000000000000	22-01-132059
O=C(N1CCC2C1(CO[Si](C(C)(C)C)(C)C)C2)OC(C)(C)C	PC-id_140901341	327.534	VVQOVLWRVMXAON-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-132060
O=C(N1C[C@H]2[C@@H]([C@H]1CO[Si](C(C)(C)C)(C)C)C2)OC(C)(C)C	PC-id_59369795,SCHEMBL2497648	327.534	GDYAPHMFLSGLQH-MELADBBJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-132061
O=C(OC(C)(C)C)NC1C[C@@H]2[C@H]([C@H]1O[Si](C(C)(C)C)(C)C)C2	PC-id_140783948	327.534	SGLBMRMOWFTMAX-MVWAYNQESA-N	00100010000010000000010000000000000000000000000000000000	22-01-132062
O=C(OC(C)(C)C)N[C@@H]1C[C@@H]2[C@H]([C@H]1O[Si](C(C)(C)C)(C)C)C2	PC-id_140726678	327.534	SGLBMRMOWFTMAX-AAVRWANBSA-N	00100010000010000000010000000000000000000000000000000000	22-01-132063
OC(=O)N1C[C@H]2[C@@]([C@H]1CO[Si](C(C)(C)C)(C)C)(C2)C(C)(C)C	SCHEMBL2497649,PC-id_67429500	327.534	HQOLDLXVWNLWGG-OGHNNQOOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-132064
[Si](OCC1N(CC2C1(C2)C(C)(C)C)C(=O)O)(C(C)(C)C)(C)C	PC-id_77290643	327.534	HQOLDLXVWNLWGG-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-132065
[Si](OCC1N(CC2C1C2)C(=O)OC(C)(C)C)(C(C)(C)C)(C)C	PC-id_72272563	327.534	GDYAPHMFLSGLQH-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-132066
[Si](OCCCCC)(OCCCCC)CCC1CC2OC2CC1	PC-id_57222618	327.554	LQXCXNIYINLGPQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132067
BrC1=CC2C(C2(C=C(C(=C1)C(F)(F)F)Cl)C)C	PC-id_134581844,SCHEMBL20233736	327.568	NMWWCKSWSHYERR-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-132068
CCO[Si]1(OC(CC)C)C2N1CCCCCCCCCCC2	PC-id_139885802	327.577	OKUJJUKRSUFUJD-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-132069
O=C(C1C2C1CCCC2)Cc1ccc(cc1Cl)Br	PC-id_113661620	327.644	WJLMNCCLJXDHGG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132070
Brc1c(cc(C(Cl)C2C3C2CCCC3)c(c1)C)C	PC-id_81637488	327.687	BRNNXWIWXNEELH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132071
BrC(C1C2C1CCCC2)c1c(cc(Cl)c(c1)C)C	PC-id_81636517	327.687	CPVOAQQKQHEMKA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132072
BrC(c1cc(C)c(cc1Cl)C)C1C2C1CCCC2	PC-id_115484919	327.687	BFAPCFRYZGGTNB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132073
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1Cl)F	PC-id_135111841,MCULE-6034077448,ZINC22_1704337286,EMOLS-id_317386174	327.692	ZBVZFTZAAHUBBP-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132074
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1F)Cl	ZINC22_1704311371,EMOLS-id_317338480,PC-id_135105856,MCULE-3904833885	327.692	GUUPPFPVITVHKV-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132075
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1c(cccc1F)Cl	ZINC22_1704324967,MCULE-9438321700,PC-id_135108258,EMOLS-id_317382059	327.692	ILQFGRONSUOYAL-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132076
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cccc(Cl)c1F	PC-id_135106151,MCULE-3946935872,EMOLS-id_317340785,ZINC22_1704311804	327.692	SEWVRFGJDUERGY-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132077
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[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(Cl)ccc1F	MCULE-5800089941,ZINC22_1704311124,EMOLS-id_317361768,PC-id_135088184	327.692	YXYAOFXLGOLYSF-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132079
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(F)ccc1Cl	EMOLS-id_317341830,ZINC22_1704316106,MCULE-1081944601,PC-id_135104426	327.692	VUVIPTTZXBHDGD-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132080
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ClC(C12COCC1C2)c1cc(c(s1)Br)Cl	MCULE-6325796706	328.053	QQDDZKNIIMRGDO-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-132117
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CC12CC=CC(C1O2)Oc1ccccc1I	PC-id_91034220	328.146	ITZMWCLLSCVINI-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-132134
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Clc1c(NC(=O)C2C3C2CCCC3)c(Cl)cc(c1)C(=O)O	PC-id_82811470	328.191	ASZMNNJXFWXHRR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132164
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O=C(OC(C)(C)C)/C=C/C12CC1C(=CN(C2=O)C)Br	SCHEMBL18512275	328.202	YBWLLRMUQBOAJL-AATRIKPKSA-N	00100000000011000000010000000000000000000000000000000000	22-01-132166
OC[C@]12C[C@H]1CCCN2C(=O)c1n(C)nc(c1Br)C	EMOLS-id_319249335	328.205	DSGNIJILERNOBC-NOZJJQNGSA-N	00100000100010000001010000000000000000000000000000000000	22-01-132167
OC[C@]12C[C@H]1CCCN2C(=O)c1[nH]nc(c1Br)CC	EMOLS-id_318872902	328.205	YTZQPOJYODVOBI-AMIZOPFISA-N	00100000100010000001010000000000000000000000000000000000	22-01-132168
OC[C@]12C[C@H]1CCCN2C(=O)c1nn(c(c1Br)C)C	EMOLS-id_319342238	328.205	CHJVSGBGPOBNFC-NOZJJQNGSA-N	00100000100010000001010000000000000000000000000000000000	22-01-132169
OC[C@]12C[C@H]1CCCN2C(=O)CCn1ncc(c1)Br	EMOLS-id_320249313,MCULE-7201760217	328.205	ITQAZTWMHGYTMZ-ZWNOBZJWSA-N	00100000100010000001010000000000000000000000000000000000	22-01-132170
CCOC1=CC=C(C=C1)/C(=NNC(=O)C2C3C2CCCCCC3)/C	PC-id_154810324	328.215	IULPEZMDZCGUBE-STZFKDTASA-N	00100000000000110100010000000000000000000000000000000000	22-01-132171
CNC(c1cc(Br)c(cc1OC)F)C1C2C1CCC2	PC-id_103394544	328.22	HNOBCJCCSLGFFR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132172
CNC(c1cc(Br)c(cc1OC)F)C1CC2C(C1)C2	PC-id_103394528	328.22	DOLYDYWAWJPULW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132173
COc1cc(F)c(cc1C(C1C2C1CCCC2)N)Br	PC-id_103394398	328.22	BQZHJDDMVGQGNZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132174
C1=CCC2C(C1)(N2S(=O)(=O)c1ccc(Br)cc1)C	PC-id_90482107,MCULE-2064786001	328.225	PKCQYNKMTQUWBW-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-132175
C[C@@]12CC=CC[C@H]1N2S(=O)(=O)c1ccc(Br)cc1	PC-id_98163202,ZINC22_101043326	328.225	PKCQYNKMTQUWBW-HCYNLOQUSA-N	00100000000011110000010000000000000000000000000000000000	22-01-132176
C[C@]12CC=CC[C@@H]1N2S(=O)(=O)c1ccc(Br)cc1	ZINC22_104279613,PC-id_98554452	328.225	PKCQYNKMTQUWBW-QNIGDANOSA-N	00100000000011110000010000000000000000000000000000000000	22-01-132177
C[C@@]12CC=CC[C@@H]1N2S(=O)(=O)c1ccc(Br)cc1	ZINC22_45069972,PC-id_94036993	328.225	PKCQYNKMTQUWBW-IKCIUXDWSA-N	00100000000011110000010000000000000000000000000000000000	22-01-132178
C[C@]12CC=CC[C@H]1N2S(=O)(=O)c1ccc(Br)cc1	ZINC22_45069976,PC-id_94036994	328.225	PKCQYNKMTQUWBW-NEJHNUGDSA-N	00100000000011110000010000000000000000000000000000000000	22-01-132179
[B][C@H]1CC[C@]2(C[C@H]2C1)CCCOC(=O)N[C@H](C)C/C=C[C@@H](C)C#N	PC-id_148701053	328.232	LZEGZZVLWBYXAO-YBZGPSLASA-N	00100000000010000000010000000000000000000000000000000000	22-01-132180
ClCC1OC(=O)N([C@]2(C1C2C)C)CCc1ccc(cc1)Cl	PC-id_142357952	328.234	ZBHOZAAGAZEGJG-CEPBPSSXSA-N	00100000000010110001010000000000000000000000000000000000	22-01-132181
OC[C@]12C[C@H]1CCCN2C(=O)C(c1c(Cl)cccc1Cl)C	EMOLS-id_320077806,MCULE-7329507588	328.234	SYRNMUBINKMUFM-MKYLOTPESA-N	00100000000010110000010000000000000000000000000000000000	22-01-132182
OCCN(C(=O)C1C2C1CCC2)Cc1ccc(c(c1)Cl)Cl	PC-id_109924071	328.234	WQQGGWZZEPXHFK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132183
C/C/1=CCCC2=CC2=CC(CC/C(=C/CC1)/C)C(C)(C)OC(=O)C	PC-id_152771999	328.24	FAMFGSIYALRNBN-XNWLQDLDSA-N	00110000000000000110010000000000000000000000000000000000	22-01-132184
BrCC1(CN2C(=O)C3C(C3C2=O)(C)C)CCCCC1	PC-id_65002041	328.245	RYDHFEJMKBLADW-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-132185
CNC(c1c(Br)cnn1CCOC)C1C2C1CCC2	PC-id_105042861	328.248	JQNOEWPXRRFGRL-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-132186
CNC(c1c(Br)cnn1CCOC)C1CC2C(C1)C2	PC-id_105042867	328.248	OAAVEBMTDRBQCB-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-132187
COCCn1ncc(c1C(C1C2C1CCCC2)N)Br	PC-id_105043127	328.248	LMDMRPCSQZXRTO-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-132188
OC(c1c(Br)cnn1CCN(C)C)C1C2C1CCC2	PC-id_115834950	328.248	HGHVSGKZNJDCLP-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-132189
OC(c1c(Br)cnn1CCN(C)C)C1CC2C(C1)C2	PC-id_115834960	328.248	BUCDBERQXJYGKX-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-132190
OC[C@]12C[C@H]1CCCN2S(=O)(=O)CC1(C)CC1(Cl)Cl	EMOLS-id_318811436	328.255	PXVPEPRTLIVZPJ-GLYLRITDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132191
Brc1cc(sc1)CN(C(=O)C1C2C1CCCC2)C	PC-id_79139522	328.268	ZATLNUVPLQIYBS-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132192
Brc1scc(CN(C(=O)C2C3C2CCCC3)C)c1	PC-id_79187691	328.268	FNQZVFCVJBQKJJ-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132193
Brc1sc(CN(C(=O)C2CC3C(C3)C2)CC)cc1	PC-id_80471738	328.268	NSSHWAQLYVPBIO-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132194
Cc1ccc(Br)c(CSC[C@@H]2[C@@H]3CCOC[C@@H]23)n1	ZINC22_2325798272	328.268	CRIKGNHJGMWMSN-IJLUTSLNSA-N	00100000000010101000010000000000000000000000000000000000	22-01-132195
Cc1ccc(Br)c(CSC[C@@H]2[C@H]3CCOC[C@@H]23)n1	ZINC22_2325798273	328.268	CRIKGNHJGMWMSN-QJPTWQEYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-132196
Cc1ccc(Br)c(CSC[C@@H]2[C@H]3CCOC[C@H]23)n1	ZINC22_2325798274	328.268	CRIKGNHJGMWMSN-SDDRHHMPSA-N	00100000000010101000010000000000000000000000000000000000	22-01-132197
Cc1ccc(Br)c(CSC[C@H]2[C@H]3COCC[C@@H]23)n1	ZINC22_2325798271	328.268	CRIKGNHJGMWMSN-GRYCIOLGSA-N	00100000000010101000010000000000000000000000000000000000	22-01-132198
O=C(CCc1ccsc1Br)NC[C@@]12CCC[C@@H]1C2	MCULE-1425028464,EMOLS-id_320013856	328.268	MYPYFSLJQQTJQS-RISCZKNCSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132199
O=C(N1CC2C(C1)C2(C)C)CCc1ccsc1Br	EMOLS-id_318786123	328.268	GIYRXSTYLURAFX-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-132200
O=C(NC12CCCCC1C2)CCc1ccsc1Br	EMOLS-id_318918544	328.268	BAZWNKFFXJRCBS-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132201
Clc1c(CC2(CC3C(C3)C2)CNCCOC)ccc(Cl)c1	PC-id_80472236	328.277	WHLQJBJCBUPYSS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132202
Clc1c(CC2(CC3C(C3)C2)CNCCOC)cc(Cl)cc1	PC-id_80472036	328.277	QGDIWAQOLHRHRW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132203
Clc1c(CC2(CC3C(C3)C2)CNCCOC)c(Cl)ccc1	PC-id_80471824	328.277	HOXDLIFQCAHODK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132204
Clc1cc(CC2(CC3C(C3)C2)CNCCOC)ccc1Cl	PC-id_80472116	328.277	NNNINCUJMJIDKG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132205
Clc1c(C(NC)C2C3C2CCCC3)cc(Cl)c(OCC)c1	PC-id_81834203	328.277	SCRZAEUJCJGTFM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132206
Clc1c(C(NCC)C2C3C2CCC3)cc(Cl)c(OCC)c1	PC-id_81834446	328.277	JKBPEMBBXFIKAH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132207
Clc1c(C(NCC)C2C3C2CCCC3)cc(Cl)c(OC)c1	PC-id_81834080	328.277	UHGBSKQHTGWIRC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132208
Clc1c(C(NCC)C2CC3C(C3)C2)cc(Cl)c(OCC)c1	PC-id_81834350	328.277	SSDXNIONNMHUIL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132209
Clc1c(C(NCCC)C2C3C2CCC3)cc(Cl)c(OC)c1	PC-id_81834365	328.277	XZZIUXJICBFSRH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132210
Clc1c(C(NCCC)C2CC3C(C3)C2)cc(Cl)c(OC)c1	PC-id_81834268	328.277	FPMWPDVKHJFNQE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132211
COCCNCC1(CC2C(C1)C2)Cc1cccc(c1Cl)Cl	PC-id_107309803	328.277	CTVMRNJHNFCQNB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132212
OC(=O)C1CCC2C1(Cc1ccc(cc1)C(F)(F)F)C2C(=O)O	PC-id_142635197	328.283	YDCMKZCOXQFSHU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132213
FC(Oc1ccc(c(c1)F)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)F	EMOLS-id_319634619	328.286	ACUGTIIMWNXFBY-GLEZIHRCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132214
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1O)C(F)(F)F	EMOLS-id_318943579	328.286	PMATXRWDNPOJKZ-CLAHSXSESA-N	00100000000010110000010000000000000000000000000000000000	22-01-132215
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1O)C(F)(F)F	EMOLS-id_320308056,MCULE-9011696394	328.286	NORQIZVMVACKSN-OTYXRUKQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132216
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BrCC1(CCCC(C1)C)NC(=O)C1C2C1CCCC2	PC-id_113275651	328.288	PGFHTPITYWVFMK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132218
BrCC1CCCCC1CNC(=O)C1C2C1CCCC2	PC-id_113276284	328.288	DOOBFNVCBPQWKR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132219
BrCC1(CCCCC1)CNC(=O)C1C2C1CCCC2	PC-id_113359969	328.288	DIJQHZLIJWZAEI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132220
BrCC1(CCC(CC1)C)NC(=O)C1C2C1CCCC2	PC-id_114314911	328.288	LLJSQYDFECLHJU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132221
BrCCN(C(=O)C1C2C1CCCC2)C1CCCCC1	PC-id_81636432	328.288	XTXHBMDJOWINJO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132222
Cc1cc(C(F)(F)F)nc(C(=O)N2CCC[C@@H]3C[C@]23C(=O)N)n1	MCULE-3592923670,ZINC22_1857533121,PC-id_145909613,EMOLS-id_319428969	328.29	RRLQDYBCYPTQEO-OQPBUACISA-N	00100000000010100001010000000000000000000000000000000000	22-01-132223
C1CC2C(C1N(C(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-])O2	SCHEMBL15209326,PC-id_89766255	328.298	CXMLFFRWVHMACM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132224
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OC(=O)N(S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[C@H]2[C@@H]1O2	SCHEMBL15209328	328.298	CXMLFFRWVHMACM-ATZCPNFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132226
Brc1cc(sc1)CC1(CC2C(C2)C1)CNC(C)C	PC-id_80470945	328.311	SQAWECGSOXWBOI-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132227
Brc1cc(sc1)CC1(CC2C(C2)C1)CNCCC	PC-id_80470972	328.311	NIVYQYOIHKAKQQ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132228
Brc1c(scc1)CC1(CC2C(C2)C1)CNC(C)C	PC-id_80471118	328.311	SUCZPPQANSRMED-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132229
Brc1c(scc1)CC1(CC2C(C2)C1)CNCCC	PC-id_80471132	328.311	NCHMJBYFZVVYTD-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132230
Brc1c(sc(c1)C)C(NCC)C1C2C1CCCC2	PC-id_81631853	328.311	KZCZUAVHUICQFF-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132231
Brc1c(sc(c1)C)C(NCCC)C1C2C1CCC2	PC-id_81630357	328.311	UUQATIIUVGGBHJ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132232
Brc1c(sc(c1)C)C(NCCC)C1CC2C(C2)C1	PC-id_80468570	328.311	DCEXNYLATOAJLA-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132233
Brc1c(scc1)C(NCCC)C1C2C1CCCC2	PC-id_81631054	328.311	ZPLOEFJAONOJKD-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132234
Brc1sc(CC2(CC3C(C3)C2)CNC(C)C)cc1	PC-id_80471139	328.311	RQRLRGIJAORUCM-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132235
Brc1sc(CC2(CC3C(C3)C2)CNCCC)cc1	PC-id_80471168	328.311	FCPQZVHUVYAZIS-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132236
Brc1sc(c(C(NCC)C2C3C2CCCC3)c1)C	PC-id_81630471	328.311	UKBQNLNWPCVVIV-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132237
Brc1sc(c(C(NCCC)C2C3C2CCC3)c1)C	PC-id_81630694	328.311	WHPOLUKGWCIXND-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132238
Brc1sc(c(C(NCCC)C2CC3C(C3)C2)c1)C	PC-id_80468790	328.311	KEXKNKLCRLRSHP-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132239
Brc1sc(C(NCC)C2C3C2CCCC3)cc1C	PC-id_81630938	328.311	WUZDWBAYSFPKLK-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132240
Brc1sc(C(NCCC)C2C3C2CCC3)cc1C	PC-id_81631144	328.311	AJINJWWGFKMWKZ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132241
Brc1sc(C(NCCC)C2CC3C(C3)C2)cc1C	PC-id_80468769	328.311	KRTONHRSFPXTQG-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132243
BrCC1(CC2C(C2)C1)Cc1scc(n1)C(C)(C)C	PC-id_80473237	328.311	LJVNZAWSENCRIU-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-132244
CCCNC(C1C2C1CCC2)c1cc(c(s1)C)Br	PC-id_102827929	328.311	FELBJHIMJUVGGH-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132245
CCCNC(C1C2C1CCC2)Cc1ccc(s1)Br	PC-id_113665776	328.311	AYEHAIZNLZGQQA-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132246
CCCNC(C1C2C1CCC2)Cc1scc(c1)Br	PC-id_115847654	328.311	APKOBIBJTOXBAV-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132247
CCCNC(C1C2C1CCC2)Cc1sccc1Br	PC-id_115848864	328.311	BBTCGUWFVKCONH-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132248
CCCNC(C1CC2C(C1)C2)Cc1ccc(s1)Br	PC-id_115840861	328.311	RMFRVPGPSATSSE-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132249
CCCNC(C1CC2C(C1)C2)Cc1scc(c1)Br	PC-id_115847592	328.311	CVSDTCQMHSKYOH-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132250
CCCNC(C1CC2C(C1)C2)Cc1sccc1Br	PC-id_115848799	328.311	HUIYGEOLZWQAQB-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132251
CCCNC(c1cc(c(s1)C)Br)C1CC2C(C1)C2	PC-id_102827748	328.311	WEDZFSDQVXSOOR-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-132252
CCCNC(c1cscc1Br)C1C2C1CCCC2	PC-id_105010539	328.311	AIRGKSYAMBOXFW-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132253
CCNC(C1C2C1CCCC2)c1cc(c(s1)C)Br	PC-id_113741795	328.311	GZQLVLQHUNINQR-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132254
CCNC(C1C2C1CCCC2)Cc1ccc(s1)Br	PC-id_113665761	328.311	XVOZTWPLHRQEPA-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132255
CCNC(C1C2C1CCCC2)Cc1scc(c1)Br	PC-id_113666502	328.311	FRLUQOBKBOANRX-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132256
CCNC(C1C2C1CCCC2)Cc1sccc1Br	PC-id_113666591	328.311	DEXHTAFXHMMSBC-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-132257
COc1cn(C)c(cc1=O)C(=O)NC[C@]12OCCC[C@H]1C2(F)F	EMOLS-id_318946955	328.311	UBYBYUMYEHOMLD-OCCSQVGLSA-N	00100000000010101000010000000000000000000000000000000000	22-01-132258
CC(C)(C)OC(=O)NC1(CC(C2C1C2C(=O)O)NC=O)C(=O)O	PC-id_88125811	328.318	IGNJIOHGTIRNRJ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-132259
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Cc1cc(ccc1OCC(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12)C1CC1	SCHEMBL16252660,BindingDB-id_599485	328.449	WGCZHPVPOVEXST-VQFNDLOPSA-N	00100010000000110000110000000000000000000000000000000000	22-01-132510
Cc1cccc([C@H](CNC(=O)C2[C@H]3CCC[C@H]23)N2CCOCC2)c1	ZINC22_177664942	328.449	QZJUSHQCEZUMIZ-BZSNNMDCSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132511
Cc1cccc([C@H](CNC(=O)C2[C@@H]3CCC[C@@H]23)N2CCOCC2)c1	ZINC22_246998865	328.449	QZJUSHQCEZUMIZ-KURKYZTESA-N	00100010000010110001010000000000000000000000000000000000	22-01-132512
Cc1cccc([C@@H](CNC(=O)[C@@H]2[C@H]3CCC[C@@H]23)N2CCOCC2)c1	ZINC22_246998850	328.449	QZJUSHQCEZUMIZ-HCXYKTFWSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132513
Cc1cccc([C@H](CNC(=O)[C@@H]2[C@H]3CCC[C@@H]23)N2CCOCC2)c1	ZINC22_246998884	328.449	QZJUSHQCEZUMIZ-ZSYWTGECSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132514
Cc1cccc(C(=O)N[C@H](C(=O)NC2[C@@H]3CCCC[C@@H]23)C(C)C)c1	PC-id_100901036,ZINC22_230164836	328.449	JZKILRKGIPHNGU-ZACQAIPSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132515
Cc1cccc(C(=O)N[C@H](C(=O)NC2[C@H]3CCCC[C@H]23)C(C)C)c1	ZINC22_101457302,PC-id_98212715	328.449	JZKILRKGIPHNGU-ULQDDVLXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132516
Cc1cccc(C(=O)N[C@@H](C(=O)N[C@@H]2[C@H]3CCCC[C@@H]23)C(C)C)c1	ZINC22_252670244	328.449	JZKILRKGIPHNGU-XDNAFOTISA-N	00100000000010110000010000000000000000000000000000000000	22-01-132517
Cc1cccc(C(=O)N[C@H](C(=O)N[C@@H]2[C@H]3CCCC[C@@H]23)C(C)C)c1	ZINC22_252670245	328.449	JZKILRKGIPHNGU-XWTMOSNGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132518
CC(C)(C)[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)[C@@H]1[C@H]2CNC[C@@H]12	MCULE-9829809270,EMOLS-id_330469396,ZINC22_1857722945	328.449	QQZMBKXPXHZTGS-IGKNDFSCSA-N	00100010000010110001110000000000000000000000000000000000	22-01-132519
CC(C(C(=O)NC1C2C1CCCC2)NC(=O)c1cccc(c1)C)C	PC-id_72106959,EMOLS-id_42924921,MCULE-6363447241	328.449	JZKILRKGIPHNGU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132520
CC([C@@H](C(=O)NC1[C@@H]2[C@H]1CCCC2)NC(=O)c1cccc(c1)C)C	PC-id_95788387	328.449	JZKILRKGIPHNGU-KTGAGVNESA-N	00100000000010110000010000000000000000000000000000000000	22-01-132521
CC([C@H](C(=O)NC1[C@@H]2[C@H]1CCCC2)NC(=O)c1cccc(c1)C)C	PC-id_95788388	328.449	JZKILRKGIPHNGU-SOABOVLPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132522
CCCNC1C2C1CN(C2)C(=O)C(c1ccccc1)(C1CCC1)O	PC-id_11558958,SCHEMBL3613492	328.449	PLNWDKCSZGYLJM-UHFFFAOYSA-N	00101010000000110000010000000000000000000000000000000000	22-01-132523
CCCNC1C2C1CN(C2=O)CC(c1ccccc1)(C1CCC1)O	SCHEMBL3615436,PC-id_68714920	328.449	SIUGGTYLIDZKIZ-UHFFFAOYSA-N	00101010000000110000010000000000000000000000000000000000	22-01-132524
CC(N1CCCC1)COCC1C2C1CN(C2)C(=O)c1ccccc1	SCHEMBL5796545,PC-id_11493621	328.449	VWGIZKBWPNORRY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132525
CCOc1ccc(cc1)/C(=N/NC(=O)C1C2CCCCCCC12)/C	SPECS-id_AG-205/32428060,EMOLS-id_45929599,PC-id_11835796	328.449	IULPEZMDZCGUBE-KGENOOAVSA-N	00100000000000110100010000000000000000000000000000000000	22-01-132526
CCOc1ccc(cc1)/C(=NNC(=O)[C@@H]1[C@H]2[C@@H]1CCCCCC2)/C	CoCoCo_6885671	328.449	IULPEZMDZCGUBE-NAEGAZKESA-N	00100000000000110100010000000000000000000000000000000000	22-01-132527
CCOc1ccc(cc1)/C(=N/NC(=O)[C@@H]1[C@H]2[C@@H]1CCCCCC2)/C	CoCoCo_6885672	328.449	IULPEZMDZCGUBE-LFUSCOLBSA-N	00100000000000110100010000000000000000000000000000000000	22-01-132528
CCOc1ccc(cc1)/C(=NNC(=O)[C@@H]1[C@@H]2[C@H]1CCCCCC2)/C	CoCoCo_6885673	328.449	IULPEZMDZCGUBE-IPVWPVPUSA-N	00100000000000110100010000000000000000000000000000000000	22-01-132529
CCOc1ccc(cc1)/C(=N/NC(=O)[C@@H]1[C@@H]2[C@H]1CCCCCC2)/C	CoCoCo_6885674	328.449	IULPEZMDZCGUBE-HAHQTSCRSA-N	00100000000000110100010000000000000000000000000000000000	22-01-132530
CC(=O)Nc1ccc(c(c1O)C1CCCCC1)CC1C2C1CNC2	PC-id_140533223	328.449	RZODIYGGFAWXQB-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-132531
CN1CC2C(C1)(C2)CNC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL3988419,PC-id_68866438	328.449	NBVBKJBYYMEZMD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132532
CN1CC2C(C1)C2CNC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4617494,PC-id_16039408	328.449	NCTUYEAUYJJWEY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132533
CN1CC2C(C1)(C2)CNC(=O)Cc1cccc(c1O)C1CCCC1	PC-id_68866436,SCHEMBL3988417	328.449	GHTCIFLNWHWELN-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-132534
CN(C1C2C1CNC2)C1CCC(C1)C(c1ccccc1)(C(=O)C)O	SCHEMBL5319469,PC-id_69403162	328.449	RHYPJLFJLAZFKD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132535
CN(C1C2C1CNC2)C(c1ccccc1)C(=O)C(C1CCCC1)O	PC-id_91211641	328.449	HYTAFDMUKDRGIG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132536
CN(C1C2C1CNC2)CC(=O)C(c1ccccc1)(C1CCCC1)O	PC-id_11616868,SCHEMBL4889398	328.449	YVGYUDBTCVMBGM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132537
CN(C1C2C1CN(C2)C(=O)C(c1ccccc1)(C1CCCC1)O)C	PC-id_11529984,SCHEMBL3620974	328.449	OQXMOEAJPOGPSJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132538
CNC1C2C1CN(C2)C(=O)C(c1ccccc1)(C1CCCCC1)O	PC-id_11580711,SCHEMBL3608510	328.449	LNFRFSRQBGSASH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132539
CNCC1C2C1CN(C2)C(=O)C(c1ccccc1)(C1CCCC1)O	PC-id_11616867,SCHEMBL3615435	328.449	JWNBFKVNZBPBQS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132540
CNCC1C2C1CN(C2)C(=O)[C@](c1ccccc1)(C1CCCC1)O	SCHEMBL3618667,PC-id_59153350	328.449	JWNBFKVNZBPBQS-MPTUAUJUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132541
CN([C@@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)C(C)(C)C)c1ccccc1)C	PC-id_58533235,SCHEMBL14664056	328.449	LXIRABAXMOKJDN-WCXIOVBPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132542
COc1ccc(cc1)C1(CCCCC1)CNC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2	EMOLS-id_318351836	328.449	ATNHWWPQTWWBRZ-OLMNPRSZSA-N	00100010000010110000110000000000000000000000000000000000	22-01-132543
COc1ccc(cc1)C1(CCCCC1)CNC(=O)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_319419340	328.449	YULXBGHMEBOQTM-PIIMJCKOSA-N	00100010000010110000110000000000000000000000000000000000	22-01-132544
COc1cccc([C@H](CNC(=O)C2C[C@@H]3C[C@H]3C2)N2CCCC2)c1	ZINC22_665385987	328.449	MZDPFSNSRGUXNM-BXWFABGCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132545
COc1cccc([C@H](CNC(=O)C2C[C@H]3C[C@@H]3C2)N2CCCC2)c1	ZINC22_665385989	328.449	MZDPFSNSRGUXNM-MDZRGWNJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132546
COc1cccc([C@@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@H]23)N2CCCC2)c1	ZINC22_1875292992	328.449	ZGYWALDFVYSGNF-DQEVTTJGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132547
COc1cccc([C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@H]23)N2CCCC2)c1	ZINC22_1875292993	328.449	ZGYWALDFVYSGNF-OAOYMFHYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132548
COc1cccc([C@@H](CNC(=O)[C@H]2C[C@@H]3C[C@@H]3C2)N2CCCC2)c1	ZINC22_665385990	328.449	MZDPFSNSRGUXNM-SFNKJDCFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132549
COc1cccc([C@H](CNC(=O)[C@H]2C[C@@H]3C[C@@H]3C2)N2CCCC2)c1	ZINC22_665385992	328.449	MZDPFSNSRGUXNM-ZMMAXQRCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132550
COc1ccc(C(=O)N[C@H]2[C@@H]3CN(CCCC4CCC4)C[C@H]23)cc1	ZINC22_962386667	328.449	ZNDUHGSVGPLQGL-BWTSREIZSA-N	00101010000000110000010000000000000000000000000000000000	22-01-132551
NCC1C2C1CN(C2)C(=O)C(C1=CC=CCC=C1)(C1CCCC1)O	PC-id_143230424	328.449	XGSOFUQCBWACQH-UHFFFAOYSA-N	00100010000000000110010000000000000000000000000000000000	22-01-132552
NC(=O)Cc1ccc(c(c1O)C1CCCCC1)CC1C2C1CNC2	PC-id_140512069	328.449	JPLKBIRAGAZEJM-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-132553
OC1CC(N(C1)Cc1ccccc1)CNC(=O)C1C2C1CCCC2	PC-id_109884889	328.449	NEJJQPADXVPXRF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132554
OC1CCN(CC1)Cc1ccccc1CNC(=O)C1C2C1CCC2	PC-id_111750795	328.449	CPOPWDCBKBWINE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132555
O=C1OC(C2=C1N2CCC1=CCCCC1)NCCC1=CCCCC1	PC-id_102583450	328.449	MVFLEXTUMBNVDR-UHFFFAOYSA-N	00110011000011000000010000000000000000000000000000000000	22-01-132556
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)CN1CCCCC1	EMOLS-id_319132850	328.449	OYMVAGGWAXGQHH-UYAOXDASSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132557
OC[C@]12C[C@H]1CCCN2C(=O)C1CCN(CC1)Cc1ccccc1	EMOLS-id_320078446,MCULE-5370092544	328.449	ZYYDPCYOSAQGBZ-UYAOXDASSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132558
O=C(C1C2C1CCC2)NCc1ccc(cc1)OCCN1CCCC1	MCULE-6218440159,EMOLS-id_49089829,PC-id_84585875	328.449	MHWBMHSPRZHPSB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132559
OC(C1CCCC1)(C(=O)CNCC1C2C1CNC2)c1ccccc1	PC-id_69230354,SCHEMBL4889393	328.449	DTVZFYWKMPXESI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132560
O(C(C1CCCC1)(C(=O)NCC1C2C1CNC2)c1ccccc1)C	PC-id_85094387	328.449	APVDGAOIRAXUPN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132561
OC(C1CCCC1)(C(=O)N(CC1C2C1CNC2)C)c1ccccc1	PC-id_85094388	328.449	CZPWDWNJFPSPAR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132562
O(C(C1CCCC1)(C(=O)NCC1[C@@H]2[C@H]1CNC2)c1ccccc1)C	PC-id_10019411	328.449	APVDGAOIRAXUPN-ZVBHREPYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132563
OC(C1CCCC1)(C(=O)N(CC1[C@@H]2[C@H]1CNC2)C)c1ccccc1	PC-id_10019412	328.449	CZPWDWNJFPSPAR-ZVBHREPYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132564
O[C@](C1CCCC1)(C(=O)N(CC1[C@H]2[C@@H]1CNC2)C)c1ccccc1	PC-id_11199350	328.449	CZPWDWNJFPSPAR-NHJHPMQKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132565
O=Cc1ccc(cc1)C(C)C1N2CC2(O)C(CNC2CCCC2)C1	CNP0087678	328.449	SVTKCNZXBQTXCQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132566
O=Cc1ccc(cc1)[C@H]([C@H]1C[C@H]([C@@]2(N1C2)O)CNC1CCCC1)C	NP_1629	328.449	SVTKCNZXBQTXCQ-SFTBJLKHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132567
OC(C1CCCCC1)(C(=O)NCC1C2C1CNC2)c1ccccc1	PC-id_69117027,SCHEMBL4620093	328.449	IXTFXFCBRRRPMV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132568
OC(C1CCCCC1)(C(=O)NCC1C2[C@@H]1CNC2)c1ccccc1	PC-id_69059168	328.449	IXTFXFCBRRRPMV-FUSSNKQKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132569
OC(C1CCCCC1)(C(=O)NCC1[C@H]2[C@@H]1CNC2)c1ccccc1	PC-id_10087919	328.449	IXTFXFCBRRRPMV-ZVBHREPYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132570
OCC1CCN(CC1)c1ccccc1NC(=O)C1C2C1CCCC2	PC-id_109892476	328.449	YRQIEJLZKHRIPT-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-132571
OCC1CCN(CC1)Cc1cccc(c1)NC(=O)C1C2C1CCC2	PC-id_112308520	328.449	GTYMDHFAXORKFY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132572
O=C(C1[C@@H]2[C@H]1CCC2)NCc1ccc(cc1)OCCN1CCCC1	PC-id_97220943	328.449	MHWBMHSPRZHPSB-DFNIBXOVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132573
O=C(C1[C@@H]2[C@H]1CNC2)NC(COc1ccc(cc1C)C1CC1)(C)C	BindingDB_PC-id_86291759	328.449	WGCZHPVPOVEXST-BYICEURKSA-N	00100010000000110000110000000000000000000000000000000000	22-01-132574
O=C(C1N(C2C(C2)C1)C(=O)C(N(C)C)c1ccccc1)C(C)(C)C	PC-id_76815429	328.449	LXIRABAXMOKJDN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132575
O=C(C(c1ccccc1)(C1CCCCC1)O)NC[C@@H]1[C@@H]2C1CNC2	SCHEMBL4479994	328.449	IXTFXFCBRRRPMV-SARBKMAYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132576
O=C(C(c1ccccc1)(C1CCCCCC1)O)N[C@@H]1[C@@H]2C1CNC2	SCHEMBL5948427	328.449	IBEZPYFLMQXEOI-SARBKMAYSA-N	00100010000000110100010000000000000000000000000000000000	22-01-132577
O=C(CC1(O)CCCCC1)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12	MCULE-6988452461,ZINC22_366460017,EMOLS-id_316938425	328.449	YMKUMBVILXMQGA-DZFIZOCASA-N	00100010000010110000010000000000000000000000000000000000	22-01-132578
OC(C(=O)NC1C2C1CNC2)(C1CCCCC1)c1ccc(cc1)C	PC-id_9996620	328.449	VUIDZEZRPFQNJU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132579
OC(C(=O)NC1C2C1CNC2)(C1CCCCCC1)c1ccccc1	PC-id_10404256	328.449	IBEZPYFLMQXEOI-UHFFFAOYSA-N	00100010000000110100010000000000000000000000000000000000	22-01-132580
OC(C(=O)NC1C2C1CN(C2)C)(C1CCCCC1)c1ccccc1	PC-id_10019410	328.449	UMLOVJUKLBRDCU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132581
OC(C(=O)N(C1C2C1CNC2)C)(C1CCCCC1)c1ccccc1	PC-id_77686180	328.449	IYLJHHOEONMMQE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132582
OC(C(=O)NC1C2[C@@H]1CNC2)(C1CCCCCC1)c1ccccc1	PC-id_69617379	328.449	IBEZPYFLMQXEOI-FUSSNKQKSA-N	00100010000000110100010000000000000000000000000000000000	22-01-132583
OC(C(=O)N(C1C2[C@@H]1CNC2)C)(C1CCCCC1)c1ccccc1	PC-id_69617252	328.449	IYLJHHOEONMMQE-FUSSNKQKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132584
O=C(N1CC2C(C1)C2NC1CC(C1)c1ccccc1)OC(C)(C)C	PC-id_113934610	328.449	PKDYDPOVJNFYSK-UHFFFAOYSA-N	00101010000000110000110000000000000000000000000000000000	22-01-132585
O=C(N1CC2C(C2CNC)C1)[C@](O)(C1CCCC1)c1ccccc1	PC-id_11558959	328.449	JWNBFKVNZBPBQS-ITUIIGRCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132586
O=C(NCc1ccc(OCCN2CCCC2)cc1)C1[C@H]2CCC[C@H]12	PC-id_98539265,ZINC22_104210642	328.449	MHWBMHSPRZHPSB-ROUUACIJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132587
O=C(NCc1ccc(OCCN2CCCC2)cc1)C1[C@@H]2CCC[C@@H]12	ZINC22_104210653,PC-id_98539267	328.449	MHWBMHSPRZHPSB-QZTJIDSGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132588
O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1[C@H]2CCC[C@@H]12	ZINC22_252486603	328.449	MHWBMHSPRZHPSB-BWTSREIZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132589
O=C(N[C@H]1[C@@H]2CN(CCCC3CCOCC3)C[C@H]12)c1ccccc1	ZINC22_958115820	328.449	QVRSNJGFWWPJGJ-BWTSREIZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132590
O=C(N/N=C(c1ccc(OCC)cc1)/C)C1[C@H]2[C@H]1CCCCCC2	PC-id_11923665	328.449	IULPEZMDZCGUBE-LKYDJBJFSA-N	00100000000000110100010000000000000000000000000000000000	22-01-132591
O=C(N/N=C(c1ccc(OCC)cc1)/C)C1[C@H]2[C@@H]1CCCCCC2	PC-id_8146115	328.449	IULPEZMDZCGUBE-SLGPEOFFSA-N	00100000000000110100010000000000000000000000000000000000	22-01-132592
O=C(N/N=C(c1ccc(OCC)cc1)/C)C1[C@@H]2[C@@H]1CCCCCC2	PC-id_8146120	328.449	IULPEZMDZCGUBE-LBLWNZBJSA-N	00100000000000110100010000000000000000000000000000000000	22-01-132593
Cc1c(scn1)CCS(=O)(=O)NC(=O)C1CCC2CC2C1	PC-id_136548528,MCULE-7435752805,EMOLS-id_112095767	328.45	TULMTTPCSDTLGU-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-132594
Cc1ncsc1CCS(=O)(=O)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC22_408503736	328.45	TULMTTPCSDTLGU-IJLUTSLNSA-N	00100000100010000001010000000000000000000000000000000000	22-01-132595
Cc1ncsc1CCS(=O)(=O)NC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1	ZINC22_408503787	328.45	TULMTTPCSDTLGU-QJPTWQEYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-132596
Cc1ncsc1CCS(=O)(=O)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1	ZINC22_408503790	328.45	TULMTTPCSDTLGU-TUAOUCFPSA-N	00100000100010000001010000000000000000000000000000000000	22-01-132597
Cc1ncsc1CCS(=O)(=O)NC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1	ZINC22_408503792	328.45	TULMTTPCSDTLGU-UTUOFQBUSA-N	00100000100010000001010000000000000000000000000000000000	22-01-132598
CC(=O)NCc1ccc(s1)S(=O)(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111183319	328.45	AUOSWSFWQUJTPA-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-132599
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C(CCN1CCCCC1)OCC1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	SCHEMBL5793105,PC-id_58608831	328.492	IRNBKBQBIJVXJN-WCRBZPEASA-N	00100010000010110000010000000000000000000000000000000000	22-01-132690
C(CCN1CCCCC1)OC[C@@H]1[C@H]2[C@@H]1CN(C2)Cc1ccccc1	SCHEMBL5793108	328.492	IRNBKBQBIJVXJN-WKCHPHFGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132691
C(CCN1CCCCC1)OC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	SCHEMBL5793110	328.492	IRNBKBQBIJVXJN-AERCQKQUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132692
OC[C@@H](N1[C@@H]([C@@H]2N([C@@H]2C1)[C@@H](C1CCCCC1)C)C)c1ccccc1	PC-id_11110272	328.492	QDHVXKNXUMTMQV-RDCHXHNRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132693
OCC(N1C(C2N(C2C1)C(C1CCCCC1)C)C)c1ccccc1	PC-id_15181581	328.492	QDHVXKNXUMTMQV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132694
O=C(N(C1=CC2C(C=C1)(C2)C)CC1CCCCC1)CN1CCCC1	PC-id_142926008	328.492	ROZXVHODAAZJKL-UHFFFAOYSA-N	00100010000011000000010000000000000000000000000000000000	22-01-132695
Cc1sc(nc1C)C(NS(=O)(=O)C1C2C1CCCC2)(C)C	EMOLS-id_320013401,MCULE-5258205619	328.493	MUQJQXIECKZTKJ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-132696
CC(c1csc(n1)CNS(=O)(=O)C1C2C1CCCC2)(C)C	EMOLS-id_319561104	328.493	BSHDMXLGLPDXTG-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-132697
NCCSSCCNC(=O)OCC1[C@@H]2[C@H]1CCC#CCC2	PC-id_98467857	328.493	COXJSXQCKNEICM-PBWFPOADSA-N	00100000000000000110010000000000000000000000000000000000	22-01-132698
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CC(N(CC1CCN(CC1)S(=O)(=O)C1C2C1CCCC2)C)C	EMOLS-id_319442935	328.513	NHAXFQJDJGXDGA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132701
[Si](OC1C2OC2C(O)C(C1)C(O)C=C(C)C)(C(C)(C)C)(C)C	PC-id_72806495	328.519	LAOASRRCRDJQDE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132702
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CC1CCC2C(C)(C)C2(C1)/C=N/N=C/C12CC(C)CCC1C2(C)C	EMOLS-id_337159663	328.535	JOKKGFXLNDTRLR-RNIAWFEPSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132709
CNC1CCN(CC1)CC(C12C=C(C)C=CC1C2)C1CCCCC1	PC-id_143036973	328.535	UKIVVUCMGVYOAK-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-132710
CCO[Si]CCCOC(=O)C1CC2C(O2)C(C1)[Si](C)(C)C	PC-id_89595586	328.551	MTTQBZZLSLODQS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132711
CCO[Si]CCCOC(=O)C1CC2C(O2)CC1[Si](C)(C)C	PC-id_89595590	328.551	NQRHOXPBZZMJOA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132712
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CCCO[Si](OCCC)(CCCCCC1CCC2C(C1)O2)C	PC-id_140718245	328.562	XWEBKPSMNBKFPT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132714
[Si](OC1C2OC2C(OC1)CCCC)(C(C)C)(C(C)C)C(C)C	PC-id_74928372	328.562	PINIZZJFYMIXLS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132715
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CNC(C1CC2C(C1)C2)Cc1ccc(cc1Cl)Br	PC-id_105037694	328.675	DEQCYDTXQOXTPM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132728
CNCC1(CC2C(C1)C2)Cc1ccc(cc1Cl)Br	PC-id_113471463	328.675	WXDMIAQWZBGQFA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132729
NC(C1C2C1CCCC2)Cc1ccc(cc1Cl)Br	PC-id_105038054	328.675	YGXHPWSVLLHOHB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132730
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Clc1ccc(C(C(=O)C2CC3C(C3(F)F)C2)C(=O)OC)cc1	PC-id_68880768,SCHEMBL4022171	328.738	QABKYQLAUJSFRE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132732
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CC(=O)N1C[C@@H]2C[C@]2(C(=O)NCc2cc(F)c(Cl)cc2F)C1	ZINC22_1776008140	328.742	BOKWRYXNUXCQPG-BONVTDFDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132735
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Clc1cccc(c1)C(=O)NCC(=O)N1CC2C(C1)(C2)C(F)F	MCULE-1470996647,EMOLS-id_320343165,PC-id_139021968	328.742	GYIUBNHNFZVZSP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132738
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Brc1cc2Oc2c(c1Br)Br	SCHEMBL7918797	328.784	TXKZCWXQVDMHKX-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-132743
ClC12N(OCc3ccccc3)C1CN(C2=O)Cc1ccccc1	PC-id_11716900	328.793	ARFQVLPULGBHOZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132744
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NC(=O)[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(c(c1)C)Cl	EMOLS-id_319471486	328.814	IEHCGGUGKKWVIZ-YGRLFVJLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132760
NC(=O)[C@]12C[C@H]1CCCN2S(=O)(=O)c1cccc(c1Cl)C	EMOLS-id_319585248	328.814	GWIMRJFJSPNZLK-YGRLFVJLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132761
NC(=O)[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(c(c1)Cl)C	MCULE-2218971347,EMOLS-id_320194915	328.814	VXIMTOTXMAAEOY-YGRLFVJLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132762
NC(=O)[C@]12C[C@H]1CCCN2S(=O)(=O)Cc1ccccc1Cl	EMOLS-id_319292369	328.814	XURXRAHJAUAIFE-RISCZKNCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132763
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CCC(c1ccc(cc1)c1ccc(cc1)Cl)(C1CC2C(C1)O2)O	SCHEMBL10802807,PC-id_20234336	328.833	DPZIXPHMJNLLPI-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-132766
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Clc1ccc(Oc2ccc(NC[C@@H]3CC[C@H]4C[C@@H]4C3)cc2)nc1	ZINC22_2325864671	328.836	VYYLDJIAQITFGE-ILXRZTDVSA-N	00100000000010111000010000000000000000000000000000000000	22-01-132769
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Clc1ccc(Oc2ccc(NC[C@@H]3CC[C@@H]4C[C@H]4C3)cc2)nc1	ZINC22_2325864674	328.836	VYYLDJIAQITFGE-RBSFLKMASA-N	00100000000010111000010000000000000000000000000000000000	22-01-132772
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O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)[C@@H]1CC[C@H](Cc2ccccc2)O1	ZINC22_864212142	329.39	WFHOCSCGNMKYKN-LCEIHVTHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132949
CN(C)C(COC1CC(C2CC2O1)OC1CC(CCO1)N=O)N	PC-id_91494898	329.392	QNHIGUCUVWGTJQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-132950
C1COCC(=O)N1CC(=O)NC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1	PC-id_136586439	329.394	NXCQKPVGJVOOLX-MVVMVCHASA-N	00100010000010110001010000000000000000000000000000000000	22-01-132951
Cc1cccc(c1)C(=O)NC(C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	MCULE-1701954739,EMOLS-id_320061306	329.394	RLYUGNJGIYLAIV-ZYFYWYTGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132952
Cc1cc(C)cc(c1)C(=O)NCC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_318769456	329.394	BNUUCNBKEKOLLN-KDOFPFPSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132953
C#CCCC1(CCC(=O)N[C@@H](C(=O)OC)C2=CC[C@H]3C[C@H]3C2)N=N1	ZINC22_2325892842	329.394	JPBNXTOSKGJKLR-DUVNUKRYSA-N	00110000000011000001010000000000000000000000000000000000	22-01-132954
C#CCCC1(CCC(=O)N[C@@H](C(=O)OC)C2=CC[C@@H]3C[C@H]3C2)N=N1	ZINC22_2325892843	329.394	JPBNXTOSKGJKLR-IVMMDQJWSA-N	00110000000011000001010000000000000000000000000000000000	22-01-132955
C#CCCC1(CCC(=O)N[C@@H](C(=O)OC)C2=CC[C@H]3C[C@@H]3C2)N=N1	ZINC22_2325892844	329.394	JPBNXTOSKGJKLR-JGGQBBKZSA-N	00110000000011000001010000000000000000000000000000000000	22-01-132956
C#CCCC1(CCC(=O)N[C@@H](C(=O)OC)C2=CC[C@@H]3C[C@@H]3C2)N=N1	ZINC22_2325892845	329.394	JPBNXTOSKGJKLR-XNRPHZJLSA-N	00110000000011000001010000000000000000000000000000000000	22-01-132957
CC(C)(C)ON(Cc1ccc(cc1)C#N)N1CC2CC2C1C(=O)O	PC-id_88144377	329.394	FETNKQHTIZEOFL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132958
CC(NC(=O)c1ccc(cc1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	EMOLS-id_320076676,MCULE-7143597030	329.394	VTLMWQDCXHWEEA-KDOFPFPSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132959
CC(=O)N1CC2C(C1)(C2)C(=O)Nc1ccc(nc1)OC1CCCC1	MCULE-3822704258,PC-id_139021917,EMOLS-id_320340857	329.394	MJMFJUGFRWWELQ-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-132960
BrCC1(CC2C(C2)C1)Cc1sccc1Br	PC-id_80473061	350.113	JDNQTEHJRXPVIQ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142458
CC(=O)N1C[C@H]2C[C@]2(C(=O)Nc2ccc(OC3CCCC3)nc2)C1	ZINC22_1776008185	329.394	MJMFJUGFRWWELQ-ACJLOTCBSA-N	00100010000000101000010000000000000000000000000000000000	22-01-132961
CC(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2ccc(OC3CCCC3)nc2)C1	ZINC22_1776008186	329.394	MJMFJUGFRWWELQ-FZKQIMNGSA-N	00100010000000101000010000000000000000000000000000000000	22-01-132962
CC(=O)N1C[C@@H]2C[C@@]2(C(=O)Nc2ccc(OC3CCCC3)nc2)C1	ZINC22_1776008187	329.394	MJMFJUGFRWWELQ-SCLBCKFNSA-N	00100010000000101000010000000000000000000000000000000000	22-01-132963
CC(=O)N1C[C@@H]2C[C@]2(C(=O)Nc2ccc(OC3CCCC3)nc2)C1	ZINC22_1776008188	329.394	MJMFJUGFRWWELQ-UGSOOPFHSA-N	00100010000000101000010000000000000000000000000000000000	22-01-132964
[C@H]1(C(=O)N2CCN(CC2)C(=O)c2ccccc2OC)[C@H]2[C@@H]1CNC2	ZINC22_101748854,EMOLS-id_44423597,MCULE-7809873611	329.394	RUSLURZAFIFURN-FOLVSLTJSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132965
[C@H]1(C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)OC)[C@H]2[C@@H]1CNC2	ZINC22_102049870,MCULE-4277038389,EMOLS-id_44428431	329.394	MQRLMUQYLXWVLK-ZSHCYNCHSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132966
[C@H]1(C(=O)N2CCN(CC2)C(=O)c2cccc(OC)c2)[C@H]2[C@@H]1CNC2	EMOLS-id_44445487,ZINC22_102720749,MCULE-9737827785	329.394	RPVPLSANNUVQJQ-ZSHCYNCHSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132967
[C@H]1(C(=O)N2CCN(C(=O)C2)Cc2ccc(cc2)OC)[C@H]2[C@@H]1CNC2	MCULE-8419610110,EMOLS-id_44426229,ZINC22_101923861	329.394	NVGYTNUANSVZJU-QLPKVWCKSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132968
CN1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)C1[C@H]2[C@@H]1COC2	PC-id_136583864	329.394	XNGKQTADBPCPLD-XYPWUTKMSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132969
CN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3[C@H]4COC[C@@H]34)cc2)CC1	EMOLS-id_316925412,MCULE-2412527689,ZINC22_667086833	329.394	XNGKQTADBPCPLD-ZSHCYNCHSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132970
CN1CCOC(C1=O)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319861797	329.394	CGWRGPGJVUALNA-SPUOUPEWSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132971
N#Cc1ccc(cc1)CN(N1CC2C([C@H]1C(=O)O)C2)OC(C)(C)C	SCHEMBL7446608	329.394	FETNKQHTIZEOFL-GPANFISMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-132972
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(nc1)OC1CCCC1	EMOLS-id_319763132	329.394	KKSBXDYMPLFEEQ-ACJLOTCBSA-N	00100010000010101000010000000000000000000000000000000000	22-01-132973
Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102212689	329.394	IUNUJAQBTJSEEM-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132974
O=C1NC(CCN1CC(=O)N1CC[C@@]2([C@H](C1)C2)O)c1ccccc1	MCULE-9649158702,EMOLS-id_316102383	329.394	WFBNOUPZGBNECD-YWQITRNNSA-N	00100000000010110001110000000000000000000000000000000000	22-01-132975
OC[C@]12C[C@H]1CCCN2C(=O)C1CC(=O)N(C1)Cc1ccccn1	EMOLS-id_320264026,MCULE-3989667785	329.394	DRCLTDUFJNRWBJ-JDPNFYKBSA-N	00100010000010101000010000000000000000000000000000000000	22-01-132976
O=C(c1ccccc1)N1CCC(/N=C(/O)N[C@@H]2[C@H]3COC[C@@H]23)CC1	EMOLS-id_100120395,ZINC22_329927064,MCULE-7490305017	329.394	LHHRZLKDYYMXTH-ZSHCYNCHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-132977
O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)N1CC2C(C1)C2(C)C	EMOLS-id_111162015	329.394	HRUXOZDJGIKFHH-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-132978
O=C(Cc1ccccc1)N1CCN(/C(=N/[C@@H]2[C@H]3COC[C@@H]23)/O)CC1	ZINC22_330033997,MCULE-3614414490,EMOLS-id_100188285	329.394	WBSKVWSMNWQQCW-QLPKVWCKSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132979
O=C(C(C)C)Nc1ccc(cc1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	MCULE-5085690011,EMOLS-id_319891613	329.394	KGGAREUXSCACAW-ACJLOTCBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-132980
OC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)CN1CCC(NC1=O)c1ccccc1	EMOLS-id_316102628,MCULE-6527305459	329.394	XAIKIKQKTRCUKE-SPUOUPEWSA-N	00100010000010110001110000000000000000000000000000000000	22-01-132981
O=C(CN1CC[C@H](c2ccccc2)NC1=O)N1CC[C@@]2(O)C[C@H]2C1	ZINC22_618761580	329.394	WFBNOUPZGBNECD-HDMKZQKVSA-N	00100000000010110001110000000000000000000000000000000000	22-01-132982
O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N1CC[C@@]2(O)C[C@H]2C1	ZINC22_618761581	329.394	WFBNOUPZGBNECD-RLFYNMQTSA-N	00100000000010110001110000000000000000000000000000000000	22-01-132983
O=C(CN1CC[C@H](c2ccccc2)NC1=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	ZINC22_615179288	329.394	XAIKIKQKTRCUKE-FXUDXRNXSA-N	00100010000010110001110000000000000000000000000000000000	22-01-132984
O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	ZINC22_615179289	329.394	XAIKIKQKTRCUKE-JJXSEGSLSA-N	00100010000010110001110000000000000000000000000000000000	22-01-132985
O=C(CN1CCOCC1=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12	MCULE-2694181268,EMOLS-id_316936378,ZINC22_365578314	329.394	NXCQKPVGJVOOLX-HWWDLCQESA-N	00100010000010110001010000000000000000000000000000000000	22-01-132986
OC(Cn1c(=O)onc1c1ccccc1)CN1CC2C(C1)C2(C)C	PC-id_111462803	329.394	LLERYVYJYNGWGD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-132987
O=C(N1CC2C(C2CN(Cc2c(onc2C)C)C)C1)c1occc1	PC-id_76422905	329.394	YKLJHYNTKTUQDB-UHFFFAOYSA-N	00100010101000000001010000000000000000000000000000000000	22-01-132988
O=C(N1C[C@H]2[C@H](C2CN(Cc2c(onc2C)C)C)C1)c1occc1	PC-id_56882608	329.394	YKLJHYNTKTUQDB-MQVJKMGUSA-N	00100010101000000001010000000000000000000000000000000000	22-01-132989
O=C(N1CCN(CC1)C(=O)c1ccccc1O)NC1CC2C(C1)C2	EMOLS-id_102213610	329.394	YTHXVBZHEUXGNC-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132990
O=C(N1CCN(CC1)C(=O)c1ccc(OC)cc1)C1C2C1CNC2	PC-id_77901018	329.394	MQRLMUQYLXWVLK-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132991
O=C(N1CCN(CC1)C(=O)c1ccc(OC)cc1)C1[C@H]2[C@@H]1CNC2	PC-id_70718916	329.394	MQRLMUQYLXWVLK-XYPWUTKMSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132992
O=C(N1CCN(CC1)C(=O)c1cc(OC)ccc1)C1C2C1CNC2	PC-id_78085717	329.394	RPVPLSANNUVQJQ-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132993
O=C(N1CCN(CC1)C(=O)c1cc(OC)ccc1)C1[C@H]2[C@@H]1CNC2	PC-id_70767528	329.394	RPVPLSANNUVQJQ-XYPWUTKMSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132994
O=C(N1CCN(CC1)C(=O)c1c(OC)cccc1)C1C2C1CNC2	PC-id_77896954	329.394	RUSLURZAFIFURN-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132995
O=C(N1CCN(CC1)C(=O)c1c(OC)cccc1)C1[C@H]2[C@@H]1CNC2	PC-id_70705179	329.394	RUSLURZAFIFURN-MZBDJJRSSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132996
O=C(N1CCN(C(=O)C1)Cc1ccc(OC)cc1)C1C2C1CNC2	PC-id_77899145	329.394	NVGYTNUANSVZJU-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132997
O=C(N1CCN(C(=O)C1)Cc1ccc(OC)cc1)C1[C@H]2[C@@H]1CNC2	PC-id_70712519	329.394	NVGYTNUANSVZJU-FKEKPDDDSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132998
O=C(Nc1ccccc1C(=O)N1CCOCC1)NC1CC2C(C1)C2	EMOLS-id_102196585	329.394	ZMAQLLUOICBLNP-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-132999
O=C(Nc1cccc(c1)C(=O)N1CCOCC1)NC1CC2C(C1)C2	EMOLS-id_102203854	329.394	ADCSIEQHVIGMQR-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-133000
O=C(Nc1ccc(cc1)C(=O)N1CCOCC1)NC1CC2C(C1)C2	EMOLS-id_102203857	329.394	OSYPCDCBWBWIER-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-133001
OC[C@]12C[C@H]1CCCN2C(=O)c1[nH]nc(c1)c1c(C)nn(c1C)C	EMOLS-id_318790990	329.397	HSPWDKRGEQXCTA-SJKOYZFVSA-N	00100000100010000001110000000000000000000000000000000000	22-01-133002
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)C1CCCN(C1)c1ncccn1	EMOLS-id_319720981	329.397	RRAKIMGGKCITNJ-SHSDOYLRSA-N	00100000000010100001110000000000000000000000000000000000	22-01-133003
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)C1CCN(CC1)c1cnccn1	MCULE-7221571273,EMOLS-id_319934280	329.397	FLAJGNJOMNFRBK-DYVFJYSZSA-N	00100000000010100001110000000000000000000000000000000000	22-01-133004
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)C1CCN(CC1)c1ncccn1	EMOLS-id_319142816	329.397	QMWUNLYDWNCSJL-DYVFJYSZSA-N	00100000000010100001110000000000000000000000000000000000	22-01-133005
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)c1ccnc(n1)N1CCCCC1	EMOLS-id_319437006	329.397	RTHRUMZVEDQHIL-PXAZEXFGSA-N	00100000000010100001110000000000000000000000000000000000	22-01-133006
O=C(N1CCN(CC1)c1ccc(cn1)C(=O)N)NC1CC2C(C1)C2	EMOLS-id_102190303	329.397	NAEPZTOEPXKTIA-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-133007
O=C(N1CCN(CC1)c1ncccc1C(=O)N)NC1CC2C(C1)C2	EMOLS-id_102212335	329.397	NXRUBQAZRKWFHM-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-133008
C=C([C@]12CN(C[C@]1(C2)C)S(=O)(=O)c1ccccc1)c1ccco1	PC-id_101988560	329.413	IZSSLTSXFTUFFY-MSOLQXFVSA-N	00100010101000110000010000000000000000000000000000000000	22-01-133009
CC1(C)C2C1CN(C2)S(=O)(=O)c1cnc(nc1)c1ccccc1	EMOLS-id_111930760	329.417	OQOUPVKHZVBBMX-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-133010
COc1cccc(c1)c1scnc1C(=O)N1[C@H](CN)C[C@H]2[C@@H]1C2	PC-id_67081543,SCHEMBL1572422	329.417	WKLZZBMQZBLTMD-DYEKYZERSA-N	00100010100000110001110000000000000000000000000000000000	22-01-133011
COc1nsc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_320054406,MCULE-6803890868	329.417	NONAVPLIRXFITG-VIKVFOODSA-N	00100010100000110001010000000000000000000000000000000000	22-01-133012
O=C(C12CC1COC2(C)C)NCc1scc(n1)c1ccccn1	EMOLS-id_278963841	329.417	KZMOFEOTAHMGTI-UHFFFAOYSA-N	00100010100000101001110000000000000000000000000000000000	22-01-133013
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)Nc1nccs1	EMOLS-id_320137369,MCULE-2674363750	329.417	PCOAUXAMFNFQKB-CXAGYDPISA-N	00100000100010110001010000000000000000000000000000000000	22-01-133014
OC[C@]12C[C@H]1CCCN2C(=O)Cc1csc(n1)c1ccccn1	EMOLS-id_318779528	329.417	CYIDSKVLMPVPON-SJKOYZFVSA-N	00100000100010101001110000000000000000000000000000000000	22-01-133015
OC[C@]12C[C@H]1CCCN2C(=O)Cc1csc(n1)c1cccnc1	EMOLS-id_318950427	329.417	SQXDMWVSPKDFSH-CXAGYDPISA-N	00100000100010101001110000000000000000000000000000000000	22-01-133016
O=S(=O)(c1ccccn1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319833524,MCULE-3325402480	329.417	JOZLTJVCHVSKPV-QLPKVWCKSA-N	00100010000000111000010000000000000000000000000000000000	22-01-133017
s1c(c(nc1)C(=O)N1C2C(C2)CC1CN)c1cc(OC)ccc1	PC-id_77223032	329.417	WKLZZBMQZBLTMD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-133018
O=C(Cc1nnc(s1)N)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319176738	329.42	BUVMWYMCJPNLOS-JYAVWHMHSA-N	00100010100000110001010000000000000000000000000000000000	22-01-133019
CN/C/1=CC2CC2CCOCCOCCOCCOCCOC1	PC-id_141783146	329.432	OWQDJLSKTZMTMP-LGMDPLHJSA-N	00100000000000000111010000000000000000000000000000000000	22-01-133020
C12CCCCC1C2C(=O)NCc1cccc(c1)OCC1CCCO1	SYN-20121053,MCULE-8123525343,PC-id_46972892,EMOLS-id_30441359	329.433	BHMWDTFFMCTQGE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133021
C1CC2C(N2)CC1COc1cc(ccc1)OCC1CCC2C(C1)O2	PC-id_134546960,SCHEMBL20194411	329.433	JJKCRONIZADSFM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133022
Cc1ccc(C2(C(=O)N3C[C@@H]4C[C@@]4(CO)C3)CCOCC2)cc1C	ZINC22_847852224	329.433	KTNQEVILHGPVDP-HKUYNNGSSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133023
Cc1ccc(C2(C(=O)N3C[C@H]4C[C@]4(CO)C3)CCOCC2)cc1C	ZINC22_847852228	329.433	KTNQEVILHGPVDP-IEBWSBKVSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133024
Cc1ccc(C2(C(=O)N3C[C@H]4C[C@@]4(CO)C3)CCOCC2)cc1C	ZINC22_847852231	329.433	KTNQEVILHGPVDP-MJGOQNOKSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133025
Cc1ccc(C2(C(=O)N3C[C@@H]4C[C@]4(CO)C3)CCOCC2)cc1C	ZINC22_847852233	329.433	KTNQEVILHGPVDP-PKOBYXMFSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133026
[C@H]12C(=C(C)NCCc3ccc(c(OC)c3)OC)C(=O)C[C@H]1C2(C)C	MCULE-1001658046,PC-id_71964212	329.433	XIURQJMAEMJWEL-AUUYWEPGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133027
COc1ccc(cc1C1CCCN1C(=O)C1C2C1CCCC2)OC	LEG-20115444,PC-id_46957938	329.433	RYJLIYDUCBKTEW-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133028
COc1ccc(cc1)C1(CCOCC1)CNC(=O)C1C2C1CCC2	EMOLS-id_318372876	329.433	FKHLFVZLZGDBCD-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133029
COc1ccc(cc1)C1(CCOCC1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_318019925	329.433	MKZFXTHKIFAESQ-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133030
COc1ccc(cc1)C1(CCOCC1)C(=O)NC1CCCC2C1C2	EMOLS-id_318086979	329.433	QLDUBFSPOHDSHM-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-133031
COc1ccc(cc1[C@@H]1CCCN1C(=O)C1[C@@H]2[C@H]1CCCC2)OC	PC-id_92594527	329.433	RYJLIYDUCBKTEW-JNUZOFDASA-N	00100010000010110000110000000000000000000000000000000000	22-01-133032
COc1ccc(cc1[C@H]1CCCN1C(=O)C1[C@@H]2[C@H]1CCCC2)OC	PC-id_92594528	329.433	RYJLIYDUCBKTEW-NVYBPEMASA-N	00100010000010110000110000000000000000000000000000000000	22-01-133033
COc1ccc(cc1[C@@H]1CCCN1C(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)OC	CoCoCo_453495	329.433	RYJLIYDUCBKTEW-HIRMHNASSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133034
COc1ccc(cc1[C@H]1CCCN1C(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)OC	CoCoCo_453496	329.433	RYJLIYDUCBKTEW-LORHWOILSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133035
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)C1[C@H]2CCC[C@H]12	PC-id_98215551,ZINC22_101474194	329.433	FNWMDFRMWOZSKK-ULQDDVLXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133036
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)C1[C@@H]2CCC[C@@H]12	ZINC22_107070264,PC-id_98773535	329.433	FNWMDFRMWOZSKK-GVDBMIGSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133037
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H]1[C@H]2CCC[C@@H]12	ZINC22_240412728	329.433	FNWMDFRMWOZSKK-IMBTUZDBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133038
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@@H]1[C@H]2CCC[C@@H]12	ZINC22_240412730	329.433	FNWMDFRMWOZSKK-VXNCWWDNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133039
COc1ccccc1CN(C(=O)C1C2C1CCC2)CC1CCCO1	EMOLS-id_43403789,PC-id_72105289,MCULE-7176390743	329.433	FNWMDFRMWOZSKK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133040
COc1ccccc1CN(C(=O)C1[C@@H]2[C@H]1CCC2)C[C@@H]1CCCO1	PC-id_95973146	329.433	FNWMDFRMWOZSKK-IAZCMVOBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133041
COc1ccccc1CN(C(=O)C1[C@@H]2[C@H]1CCC2)C[C@H]1CCCO1	PC-id_95973147	329.433	FNWMDFRMWOZSKK-VLFFPSDRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133042
COc1cc(ccc1OC)C1CCCN1C(=O)C1C2C1CCCC2	LEG-20115348,PC-id_46957930	329.433	KQMGRGHJUYSYCS-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133043
BrC(c1cc(c(s1)C)Br)C1CC2C(C1)C2	PC-id_102836034	350.113	QZIDQHIHTCEGHK-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142459
COc1cc(ccc1OC)[C@@H]1CCCN1C(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_92597735	329.433	KQMGRGHJUYSYCS-IJOZJFQKSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133044
COc1cc(ccc1OC)[C@H]1CCCN1C(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_92597737	329.433	KQMGRGHJUYSYCS-ONXYJPLBSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133045
COc1cc(ccc1OC)[C@@H]1CCCN1C(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_453463	329.433	KQMGRGHJUYSYCS-RCJHGTSTSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133046
COc1cc(ccc1OC)[C@H]1CCCN1C(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_453464	329.433	KQMGRGHJUYSYCS-YYAJDYIMSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133047
COc1ccc(CCN/C(=C/[C@H]3[C@@H](CC2=O)C3(C)C)/C)cc1OC	STOCK1N-35562,PC-id_16398352,ZINC22_100750846,EMOLS-id_26411113	329.433	XIURQJMAEMJWEL-YUIXEQDVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133048
COc1ccc([C@@H]2CCCN2C(=O)C2[C@H]3CCCC[C@H]23)cc1OC	PC-id_98132721,ZINC22_100731411	329.433	KQMGRGHJUYSYCS-JYJNAYRXSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133049
COc1ccc([C@@H]2CCCN2C(=O)C2[C@@H]3CCCC[C@@H]23)cc1OC	ZINC22_245493007	329.433	KQMGRGHJUYSYCS-OAGGEKHMSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133050
COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)cc1OC	CoCoCo_453461,ZINC22_245493006	329.433	KQMGRGHJUYSYCS-CYJAXWMASA-N	00100010000010110000110000000000000000000000000000000000	22-01-133051
COc1ccc([C@H]2CCCN2C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)cc1OC	ZINC22_245493008,CoCoCo_453462	329.433	KQMGRGHJUYSYCS-OLMMMNRUSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133052
COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2[C@H]3CCCC[C@H]23)c1	PC-id_98132727,ZINC22_100731430	329.433	RYJLIYDUCBKTEW-ZOBUZTSGSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133053
COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2[C@@H]3CCCC[C@@H]23)c1	ZINC22_245496697	329.433	RYJLIYDUCBKTEW-INMHGKMJSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133054
COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c1	CoCoCo_453493,ZINC22_245496698	329.433	RYJLIYDUCBKTEW-JHDROBOHSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133055
COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c1	ZINC22_245496696,CoCoCo_453494	329.433	RYJLIYDUCBKTEW-GFIVTLFCSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133056
O1C2(C1CCC2)C(C1N(CCCC1)C(=O)OCc1ccccc1)C	PC-id_85350097	329.433	ZFBBJRFVXGXIGY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133057
O1C2(C1CCC2)[C@@H]([C@@H]1N(CCCC1)C(=O)OCc1ccccc1)C	PC-id_10969554	329.433	ZFBBJRFVXGXIGY-UORCXSCMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133058
O1C2C1CCC(C2)COC(=O)NC(c1cc(ccc1)C(=C)C)(C)C	PC-id_21305618,SCHEMBL14331384	329.433	YOTMWESHZRHLDU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133059
O=C1C(C2C(C2C1)(C)C)/C(=N/CCc1cc(OC)c(OC)cc1)/C	PC-id_78443282	329.433	UMXDGLVDQZDNQL-CIAFOILYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133060
O=C1C([C@@H]2C([C@@H]2C1)(C)C)/C(=N/CCc1cc(OC)c(OC)cc1)/C	PC-id_7068296	329.433	UMXDGLVDQZDNQL-UICHLGHNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133061
O=C1C(=C(NCCc2ccc(OC)c(OC)c2)C)C2C(C1)C2(C)C	PC-id_3776485,CNP0266894	329.433	XIURQJMAEMJWEL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133062
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccccc1OC1CCCC1	MCULE-1612000633,EMOLS-id_319951968	329.433	LAEKGPVKPIUTJB-OXQOHEQNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133063
OCC12CN(CC1C2)C(=O)C1(CCOCC1)c1ccc(c(c1)C)C	MCULE-5567659333,PC-id_139014335,EMOLS-id_320354657	329.433	KTNQEVILHGPVDP-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-133064
OCC1C2C1CN(C2)C(=O)C(c1ccccc1)(C1CCCCC1)O	SCHEMBL3622621,PC-id_11674323	329.433	DODOHZXFVKEECX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133065
O=C(C1(CCOCC1)OCc1ccccc1)NC1CCCC2C1C2	EMOLS-id_318322657	329.433	ZWYZGCIVUCQTCG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133066
O(C(=CC12C(C1)CN(C2)C(=O)c1ccc(OC)cc1)CCCC)C	PC-id_10806258	329.433	FCXKBPMPKBXXFD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133067
O=C([C@](c1ccccc1)(C1CCCC1)O)OCCN1CC2C(C1)C2	SCHEMBL13845353,PC-id_71011288	329.433	KKNMGDXWOQNFBZ-PMTKGXAQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133068
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)NCc1cccc(c1)OC[C@@H]1CCCO1	CoCoCo_500096	329.433	BHMWDTFFMCTQGE-OKYOBFRVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133069
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)NCc1cccc(c1)OC[C@H]1CCCO1	CoCoCo_500097	329.433	BHMWDTFFMCTQGE-AKHDSKFASA-N	00100010000010110000010000000000000000000000000000000000	22-01-133070
O(CCN1CC2C(C2)C1)C(=O)C(O)(C1CCCC1)c1ccccc1	PC-id_77980734	329.433	KKNMGDXWOQNFBZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133071
O=C(NCc1cccc(OC[C@@H]2CCCO2)c1)C1[C@H]2CCCC[C@H]12	PC-id_98138887,ZINC22_100774883	329.433	BHMWDTFFMCTQGE-BZSNNMDCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133072
O=C(NCc1cccc(OC[C@@H]2CCCO2)c1)C1[C@@H]2CCCC[C@@H]12	ZINC22_247462007	329.433	BHMWDTFFMCTQGE-RCCFBDPRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133073
O=C(NCc1cccc(OC[C@@H]2CCCO2)c1)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_247461998,CoCoCo_500098	329.433	BHMWDTFFMCTQGE-INDMIFKZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133074
O=C(NCc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_247462016,CoCoCo_500099	329.433	BHMWDTFFMCTQGE-YRXWBPOGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133075
O=C(NCc1cc(OC[C@H]2OCCC2)ccc1)C1[C@H]2[C@@H]1CCCC2	PC-id_51588775	329.433	BHMWDTFFMCTQGE-HTUJPFKRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133076
O=C(NCc1cc(OC[C@@H]2OCCC2)ccc1)C1[C@H]2[C@@H]1CCCC2	PC-id_51588776	329.433	BHMWDTFFMCTQGE-KAKFPZCNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133077
O(C(=O)C1N(CC2C1C2(C)C)C(=O)C(C)(C)C)Cc1ccccc1	PC-id_85274185	329.433	ZDAPVQMPUPJTKT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133078
OC(=O)CC(c1ccc(cc1)C(C)(C)C)NC(=O)C1C2C1CCC2	EMOLS-id_53651851,PC-id_120195739,MCULE-4012963075	329.433	LOOYFOONWFPXBC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133079
O(C(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)C(C)(C)C)Cc1ccccc1	PC-id_10806261	329.433	ZDAPVQMPUPJTKT-JYJNAYRXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133080
CC1(C)C2C1CN(C2)S(=O)(=O)c1ccc(cc1)S(=O)(=O)C	EMOLS-id_111183031	329.435	APVCWIKRVUHVAB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133081
CC1(C)C2C1CN(C2)S(=O)(=O)c1cccc(c1)S(=O)(=O)C	EMOLS-id_111183517	329.435	QDUBERPMPDPMNY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133082
Cc1csc(c1S(=O)(=O)N1CC2C(C1)C2(C)C)C(=O)OC	PC-id_136534684,MCULE-7486375084,EMOLS-id_111897489	329.435	PVNNZXJMFBOEHZ-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-133083
COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@@H]2[C@@H](C1)C2(C)C	ZINC22_190156335	329.435	PVNNZXJMFBOEHZ-NXEZZACHSA-N	00100010100100000000010000000000000000000000000000000000	22-01-133084
COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@H]2[C@@H](C1)C2(C)C	ZINC22_190156357	329.435	PVNNZXJMFBOEHZ-AOOOYVTPSA-N	00100010100100000000010000000000000000000000000000000000	22-01-133085
COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@H]2[C@H](C1)C2(C)C	ZINC22_190156380	329.435	PVNNZXJMFBOEHZ-UWVGGRQHSA-N	00100010100100000000010000000000000000000000000000000000	22-01-133086
C12CCCCC1C2C(=O)NN=Cc1ccc(cc1O)N(CC)CC	MCULE-8712512740	329.437	LQMJJUCIEXYESZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133087
C12(CCCCC1C2C(=O)NN=Cc1ccc(N2CCCCC2)o1)C	PC-id_71945088,MCULE-2520230017	329.437	XRYUZVYHIWWEGC-UHFFFAOYSA-N	00100000101010000000110000000000000000000000000000000000	22-01-133088
CC12CCCCC1C2C(=O)N/N=C/c1ccc(o1)N1CCCCC1	PC-id_21229664,EMOLS-id_46468592	329.437	XRYUZVYHIWWEGC-DEDYPNTBSA-N	00100000101010000000110000000000000000000000000000000000	22-01-133089
CC1CC(N1CCOCC1C2C1CN(C2)C(=O)c1ccncc1)C	PC-id_11688501,SCHEMBL5794543	329.437	KAXYSEGRTCEECG-UHFFFAOYSA-N	00101010000000101000010000000000000000000000000000000000	22-01-133090
CC1CN(CC(O1)C)Cc1ccccc1NC(=O)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_319459256	329.437	KZJHGGIKIKHBNN-NOLNNKCQSA-N	00100010000010110001010000000000000000000000000000000000	22-01-133091
CCC1C2N1C(=O)C(NC2C(=O)NC(C)(C)C)Cc1ccccc1	PC-id_87105824	329.437	DVUYSEVBEXQGGG-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-133092
CC[C@H]1N2[C@@H]1[C@@H](N[C@H](C2=O)Cc1ccccc1)C(=O)NC(C)(C)C	SCHEMBL432292	329.437	DVUYSEVBEXQGGG-RHXGFURLSA-N	00100000000010110001010000000000000000000000000000000000	22-01-133093
C[C@H](NC(=O)N1CCC[C@@H]2C[C@H]12)c1ccccc1N1CCOCC1	ZINC22_1875258053	329.437	KDTPPOARPDDARX-DAYGRLMNSA-N	00100000000010110001110000000000000000000000000000000000	22-01-133094
C[C@H](NC(=O)N1CCC[C@@H]2C[C@@H]12)c1ccccc1N1CCOCC1	ZINC22_1875258054	329.437	KDTPPOARPDDARX-HDMKZQKVSA-N	00100000000010110001110000000000000000000000000000000000	22-01-133095
C[C@H](NC(=O)N1CCC[C@H]2C[C@H]12)c1ccccc1N1CCOCC1	ZINC22_1875258055	329.437	KDTPPOARPDDARX-MPGHIAIKSA-N	00100000000010110001110000000000000000000000000000000000	22-01-133096
C[C@H](NC(=O)N1CCC[C@H]2C[C@@H]12)c1ccccc1N1CCOCC1	ZINC22_1875258056	329.437	KDTPPOARPDDARX-RLFYNMQTSA-N	00100000000010110001110000000000000000000000000000000000	22-01-133097
CCN(c1ccc(c(c1)O)/C=NNC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)CC	CoCoCo_600854	329.437	LQMJJUCIEXYESZ-IACGRUAUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133098
CCN(c1ccc(c(c1)O)/C=N/NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)CC	CoCoCo_600855	329.437	LQMJJUCIEXYESZ-GKIAMINRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133099
CCN(c1ccc(c(c1)O)/C=NNC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2)CC	CoCoCo_600856	329.437	LQMJJUCIEXYESZ-KPXXABJESA-N	00100000000010110000010000000000000000000000000000000000	22-01-133100
CCN(c1ccc(c(c1)O)/C=N/NC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2)CC	CoCoCo_600857	329.437	LQMJJUCIEXYESZ-NIDRXSANSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133101
CCN(CC)c1cc(c(cc1)/C=N/NC(=O)C1[C@H]2[C@@H]1CCCC2)O	PC-id_135851309	329.437	LQMJJUCIEXYESZ-INMQPVCQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133102
CCN(CC)c1cc(c(cc1)/C=NNC(=O)C1[C@H]2[C@@H]1CCCC2)O	PC-id_135874152	329.437	LQMJJUCIEXYESZ-ISVLDRKRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133103
CCN(CC)c1cc(c(cc1)/C=NNC(=O)C1[C@@H]2[C@@H]1CCCC2)O	PC-id_136856975	329.437	LQMJJUCIEXYESZ-ALVQJFKWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133104
CCN(CC)c1cc(c(cc1)/C=NNC(=O)C1[C@H]2[C@H]1CCCC2)O	PC-id_136856976	329.437	LQMJJUCIEXYESZ-XLOQWRIGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133105
CCN(CC)c1ccc(/C=N/NC(=O)C2C3CCCCC23)c(O)c1	PC-id_135472452,EMOLS-id_25843397	329.437	LQMJJUCIEXYESZ-UDWIEESQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133106
CCOc1cccc(n1)N1CCC(CC1)NC(=O)[C@@H]1C[C@H]2[C@@H](C1)C2	EMOLS-id_318805863	329.437	YFGQYGQXJTXJRF-FICVDOATSA-N	00100010000010101000110000000000000000000000000000000000	22-01-133107
[C@H]1(C(=O)N2CCN(C(C)(C)C2)c2ccc(cc2)OC)[C@H]2[C@@H]1CNC2	ZINC22_102792933,MCULE-8412840728,EMOLS-id_44743018	329.437	TVWSFUORIYHSOV-FVQHAEBGSA-N	00100010000010110001110000000000000000000000000000000000	22-01-133108
Cn1cccc1C(=O)NC[C@@H]1CCCN1C(=O)[C@]12CCCC[C@H]1C2	ZINC22_956204704	329.437	BXUWUDZJACXUEY-DOXZYTNZSA-N	00100010110010000000010000000000000000000000000000000000	22-01-133109
Cn1cccc1C(=O)NC[C@@H]1CCCN1C(=O)[C@]12CCCC[C@@H]1C2	ZINC22_956204705	329.437	BXUWUDZJACXUEY-VCBZYWHSSA-N	00100010110010000000010000000000000000000000000000000000	22-01-133110
Cn1cccc1C(=O)NC[C@@H]1CCCN1C(=O)[C@@]12CCCC[C@H]1C2	ZINC22_956204706	329.437	BXUWUDZJACXUEY-YZVOILCLSA-N	00100010110010000000010000000000000000000000000000000000	22-01-133111
Cn1cccc1C(=O)NC[C@@H]1CCCN1C(=O)[C@@]12CCCC[C@@H]1C2	ZINC22_956204707	329.437	BXUWUDZJACXUEY-ZRGWGRIASA-N	00100010110010000000010000000000000000000000000000000000	22-01-133112
C/N=C/c1ccc(c(c1)C)OCC(NC(=O)[C@@H]1[C@@H]2[C@H]1CNC2)(C)C	SCHEMBL19724705	329.437	CLMRWFVACMWPIZ-XDJDJHOFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133113
COc1ccc(N2CCN(C(=O)C3[C@H]4CNC[C@@H]34)CC2(C)C)cc1	CHEMBL4575538,PC-id_70777629	329.437	TVWSFUORIYHSOV-SJPCQFCGSA-N	00100010000010110001110000000000000000000000000000000000	22-01-133114
N=Cc1ccc(c(c1)C)OCC(NC(=O)[C@@H]1C2[C@@]1(C)CNC2)(C)C	PC-id_144745335	329.437	RCEHFQKDIZBVIS-WHJCRDCLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133115
O1C2C1C(=NNC(=O)Nc1ccccc1)CCCCCCCCC2	PC-id_10359229	329.437	IVEQJQXJJYPEBH-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-133116
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O=C(C1C2C1CCCC2)Nc1cnc(c(c1)Br)Cl	PC-id_113434253	329.62	VMVBUGXKOIMCPT-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-133208
Brc1c(CC2(CC3C(C3)C2)CCl)cc(OC)cc1	PC-id_80473422	329.66	SFHGWCQHFKVMQJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133209
Brc1cc(CC2(CC3C(C3)C2)CCl)ccc1OC	PC-id_80473419	329.66	VPSZYIXHRUROAM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133210
Brc1cc(CC2(CC3C(C3)C2)CCl)c(OC)cc1	PC-id_80473084	329.66	JBMGZEVHPQWRMU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133211
Brc1cc(C(Cl)C2C3C2CCC3)c(OC)cc1C	PC-id_81636671	329.66	RXKFPWFRSAEWEA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133212
Brc1cc(C(Cl)C2C3C2CCC3)c(OCC)cc1	PC-id_81637125	329.66	AGOJPAUPENMUJN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133213
Brc1cc(C(Cl)C2C3C2CCCC3)ccc1OC	PC-id_81643570	329.66	UNTJIZNWYSIAHU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133214
Brc1cc(C(Cl)C2CC3C(C3)C2)c(OC)cc1C	PC-id_80469269	329.66	CEDXKGDTWHPKHL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133216
Brc1cc(C(Cl)C2CC3C(C3)C2)c(OCC)cc1	PC-id_80470558	329.66	ORRXEKOWRHVZSO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133217
Brc1c(C(Cl)C2C3C2CCC3)ccc(OCC)c1	PC-id_81636986	329.66	NMVFCPOSPFWBAX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133218
Brc1c(C(Cl)C2C3C2CCCC3)ccc(OC)c1	PC-id_81637463	329.66	XOPFEPJXYNXUIE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133219
Brc1c(C(Cl)C2CC3C(C3)C2)ccc(OCC)c1	PC-id_80469621	329.66	MLQLUXLLCDXREK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133220
Brc1ccc(OCCC2(CC3C(C3)C2)CCl)cc1	PC-id_80473143	329.66	IBNVZFDCFIGUKL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133221
Brc1cc(OCCC2(CC3C(C3)C2)CCl)ccc1	PC-id_80473421	329.66	WWKGLPPRBAJVIO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133222
BrC(C1C2C1CCCC2)c1cc(Cl)c(OC)cc1	PC-id_81638567	329.66	AMXKQHFLMDJYAL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133223
BrC(C1C2C1CCCC2)c1c(Cl)cc(OC)cc1	PC-id_81637997	329.66	OUVTYXXPKVZJRO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133224
BrCC1(CC2C(C2)C1)Cc1c(OC)ccc(Cl)c1	PC-id_80473151	329.66	MVVXGARXISSOFM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133225
CCOc1ccc(cc1Br)C(C1C2C1CCC2)Cl	PC-id_104661593	329.66	XYWQJWDXRMZXGG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133226
CCOc1ccc(cc1Br)C(C1CC2C(C1)C2)Cl	PC-id_104661570	329.66	APTIYZDTYHSBJN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133227
COc1ccc(cc1C(C1C2C1CCCC2)Br)Cl	PC-id_113425590	329.66	ZMPWPJPBDNBJEN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133228
OC(C1C2C1CCCC2)Cc1ccc(cc1Cl)Br	PC-id_115833925	329.66	QUDBAJXRGFNZRY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133229
NNC(C1C2C1CCC2)Cc1ccc(cc1Cl)Br	PC-id_105335251	329.663	XNZLRAGKWYDRRI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133230
NNC(C1CC2C(C1)C2)Cc1ccc(cc1Cl)Br	PC-id_105335183	329.663	LOTVHCLQQFKOAA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133231
Clc1cc(CC2OC3C(C3C(=O)O)C2(N)C(=O)O)ccc1F	SCHEMBL5972808,PC-id_69624861	329.708	OQCUGDRDMRZHBT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133232
O=C(C1C2C1CCC2=O)Nc1c(Cl)c(nn1c1ccccc1)C	EMOLS-id_318385599	329.781	NXDANWLASLPIJW-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-133233
Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[C@]23C(=O)O)c(Cl)c1	PC-id_136589572,EMOLS-id_316986751,ZINC22_926608145	329.799	HYKPBGGVYVWJSJ-YGRLFVJLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133234
Clc1cc(ccc1S(=O)(=O)NC1CCC[C@H]2[C@@H]1C2)C(=O)O	MCULE-9423692123,EMOLS-id_317735840,PC-id_139021849	329.799	SNYQMFAOQYHNFZ-RWPGAEDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133235
ClS(=O)(=O)c1cc(NC(=O)C2C3C2CCC3)ccc1OC	PC-id_81610915	329.799	GYSSTNYLKJQXNH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133236
ClS(=O)(=O)c1cc(NC(=O)C2C3C2CCC3)c(OC)cc1	PC-id_81611527	329.799	IVXJPFDFTJYDKY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133237
ClS(=O)(=O)c1cc(NC(=O)C2CC3C(C3)C2)ccc1OC	PC-id_80465870	329.799	HHKSWVAQAZTVMY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133238
ClS(=O)(=O)c1cc(NC(=O)C2CC3C(C3)C2)c(OC)cc1	PC-id_80465909	329.799	AMKWVORABCYXJC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133239
ClS(=O)(=O)c1c(OC)cc(NC(=O)C2C3C2CCC3)cc1	PC-id_81610914	329.799	NWQJIEHXIXNOIA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133240
ClS(=O)(=O)c1c(OC)cc(NC(=O)C2CC3C(C3)C2)cc1	PC-id_80465869	329.799	DWZMUDAZXFTVCL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133241
ClS(=O)(=O)CC12CC1CN(C2)C(=O)OCc1ccccc1	EMOLS-id_276910231,MCULE-9996252692	329.799	DJDRJVCDHNBYHC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133242
OC(=O)C1C2C1CCN(C2)S(=O)(=O)c1cccc(c1Cl)C	MCULE-4824746297,EMOLS-id_320152871	329.799	WYSIVFLIBKDMGW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133243
OC(=O)c1ccc(cc1S(=O)(=O)N1CC2C(C1)C2(C)C)Cl	EMOLS-id_318327245	329.799	MIUREYILWXMXKN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133244
O=C(O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c(Cl)c1	ZINC22_871973327	329.799	SNYQMFAOQYHNFZ-QRTLGDNMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133245
O=C(O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3C[C@H]23)c(Cl)c1	ZINC22_871973328	329.799	SNYQMFAOQYHNFZ-UBHAPETDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133246
Clc1ccc(Oc2ccc(NC[C@@H]3[C@H]4CCOC[C@@H]34)cc2)cc1	ZINC22_2325863261	329.821	BTFPAZVTYYGBRE-GUDVDZBRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133247
Clc1ccc(Oc2ccc(NC[C@@H]3[C@@H]4CCOC[C@@H]34)cc2)cc1	ZINC22_2325863262	329.821	BTFPAZVTYYGBRE-IPMKNSEASA-N	00100000000010110000010000000000000000000000000000000000	22-01-133248
Clc1ccc(Oc2ccc(NC[C@@H]3[C@@H]4CCOC[C@H]34)cc2)cc1	ZINC22_2325863263	329.821	BTFPAZVTYYGBRE-OTWHNJEPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133249
Clc1ccc(Oc2ccc(NC[C@H]3[C@H]4COCC[C@H]34)cc2)cc1	ZINC22_2325863264	329.821	BTFPAZVTYYGBRE-QRVBRYPASA-N	00100000000010110000010000000000000000000000000000000000	22-01-133250
Clc1ccc(cc1)C(c1ccn(n1)C)NC(=O)C1C2C1CCC2	EMOLS-id_318670662	329.824	BPOYHBYWOVBCQO-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-133251
Cn1cc(c(n1)c1ccccc1Cl)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318643788	329.824	BZAMXNIXIYSBSW-QIAUWCJISA-N	00100000100010110001110000000000000000000000000000000000	22-01-133252
O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c[nH]nc1c1ccc(Cl)cc1	ZINC22_1148636545	329.824	JWGULUKYINNWGH-BNOWGMLFSA-N	00100000100010110001110000000000000000000000000000000000	22-01-133253
O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1c[nH]nc1c1ccc(Cl)cc1	ZINC22_1148636675	329.824	JWGULUKYINNWGH-KWCYVHTRSA-N	00100000100010110001110000000000000000000000000000000000	22-01-133254
O=C(NC[C@@H]1CC[C@@H]2C[C@H]2C1)c1c[nH]nc1c1ccc(Cl)cc1	ZINC22_1148636676	329.824	JWGULUKYINNWGH-MRVWCRGKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-133255
O=C(NC[C@@H]1CC[C@H]2C[C@@H]2C1)c1c[nH]nc1c1ccc(Cl)cc1	ZINC22_1148636677	329.824	JWGULUKYINNWGH-XBFCOCLRSA-N	00100000100010110001110000000000000000000000000000000000	22-01-133256
OC[C@]12C[C@H]1CCCN2S(=O)(=O)CCc1ccccc1Cl	EMOLS-id_318961821	329.842	QTSSDQYVZKVYMW-UKRRQHHQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133257
OC[C@]12C[C@H]1CCCN2S(=O)(=O)CCc1ccc(cc1)Cl	EMOLS-id_319776769	329.842	ABXCUVMXVXNFJZ-UKRRQHHQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133258
OC(c1ccccc1Cl)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318826918	329.842	DGTWXJZIHDFZCZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133259
Clc1cnn(c1)C1CCN(C1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_319722752	329.845	ZXKBOWRQIKAATH-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-133260
O=C(N1CC2C(C1)C2NCc1ncc(s1)Cl)OC(C)(C)C	PC-id_107238651	329.846	UDZGNZNSKGURBO-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-133261
Clc1cccc(NC(=O)C2C3CC/C=C/CC/C=CCCC23)c1	EMOLS-id_2142169	329.864	YQNTWNOXMQOVET-CIIODKQPSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133262
Clc1ccc(NC(=O)C2C3C2CC/C=C/CCC=CCC3)cc1	PC-id_24206897	329.864	XYFUVLIWAXYEIS-UHMKDZKBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133263
Clc1ccc(NC(=O)C2C3C2CCC=CCCC=CCC3)cc1	PC-id_3452021	329.864	XYFUVLIWAXYEIS-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133264
Clc1ccc(NC(=O)C2[C@H]3[C@H]2CC/C=C/CCC=CCC3)cc1	PC-id_11891868	329.864	XYFUVLIWAXYEIS-RIZSYMOGSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133265
Clc1ccc(NC(=O)C2[C@@H]3[C@@H]2CC/C=C/CCC=CCC3)cc1	PC-id_11914008	329.864	XYFUVLIWAXYEIS-UHIXDNOXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133266
Clc1ccc(NC(=O)C2[C@@H]3[C@H]2CCC=CCCC=CCC3)cc1	PC-id_667771	329.864	XYFUVLIWAXYEIS-DFNIBXOVSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133267
Clc1ccc(NC(=O)C2[C@H]3[C@@H]2CC/C=C/CCC=CCC3)cc1	PC-id_7720013	329.864	XYFUVLIWAXYEIS-PMOGSPPWSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133268
Clc1cc(NC(=O)C2C3C2CCC=CCCC=CCC3)ccc1	PC-id_534277	329.864	YQNTWNOXMQOVET-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133269
Clc1cc(NC(=O)C2C3C2CC/C=C/CCC=CCC3)ccc1	PC-id_5362629	329.864	YQNTWNOXMQOVET-UHMKDZKBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133270
Clc1cc(NC(=O)C2[C@@H]3[C@@H]2CC/C=C/CCC=CCC3)ccc1	PC-id_11891880	329.864	YQNTWNOXMQOVET-UHIXDNOXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133271
Clc1cc(NC(=O)C2[C@H]3[C@H]2CC/C=C/CCC=CCC3)ccc1	PC-id_11891881	329.864	YQNTWNOXMQOVET-RIZSYMOGSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133272
Clc1cc(NC(=O)C2[C@H]3[C@@H]2CC/C=C/CCC=CCC3)ccc1	PC-id_7240364	329.864	YQNTWNOXMQOVET-PMOGSPPWSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133273
Clc1cc(NC(=O)C2[C@@H]3[C@H]2CCC=CCCC=CCC3)ccc1	PC-id_880928	329.864	YQNTWNOXMQOVET-DFNIBXOVSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133274
O=C(C1[C@@H]2[C@H]1CC/C=C/CC/C=C/CC2)Nc1cccc(c1)Cl	PC-id_98912637	329.864	YQNTWNOXMQOVET-GDYZOIELSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133275
O=C(Nc1cccc(Cl)c1)C1[C@H]2CCC=CCCC=CCC[C@H]12	PC-id_5415403,ZINC22_252640070	329.864	YQNTWNOXMQOVET-ADUPEVMXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133276
O=C(Nc1cccc(Cl)c1)C1[C@@H]2CCC=CCCC=CCC[C@@H]12	PC-id_5415405,ZINC22_252640072	329.864	YQNTWNOXMQOVET-PWCSWUJKSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133277
O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@H]12	ZINC22_252320860	329.864	YQNTWNOXMQOVET-GMFDKDDBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133278
O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2CC/C=C/CC/C=CCC[C@@H]12	ZINC22_252320861	329.864	YQNTWNOXMQOVET-WOVFQEGDSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133279
O=C(Nc1cccc(Cl)c1)[C@@H]1[C@@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_252320862	329.864	YQNTWNOXMQOVET-XANVIZKASA-N	00100000000000110110010000000000000000000000000000000000	22-01-133280
O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_252320863	329.864	YQNTWNOXMQOVET-ZOYJPBRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133281
O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2CCC=CCCC=CCC[C@@H]12	ZINC22_252640071	329.864	YQNTWNOXMQOVET-BWTSREIZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133282
O=C(Nc1ccc(Cl)cc1)C1[C@H]2CCC=CCCC=CCC[C@H]12	PC-id_18556221,ZINC22_3148611	329.864	XYFUVLIWAXYEIS-ADUPEVMXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133283
BrC(c1sccc1Br)C1CCC2C(C1)C2	MCULE-1049920981	350.113	KHDYQAFUBPRDBA-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-142460
O=C(Nc1ccc(Cl)cc1)C1[C@@H]2CCC=CCCC=CCC[C@@H]12	PC-id_5390137,ZINC22_1559538621	329.864	XYFUVLIWAXYEIS-PWCSWUJKSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133284
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2CCC=CCCC=CCC[C@@H]12	ZINC22_1559538620	329.864	XYFUVLIWAXYEIS-BWTSREIZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133285
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@H]12	ZINC22_585162595	329.864	XYFUVLIWAXYEIS-GMFDKDDBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133286
O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2CC/C=C/CC/C=CCC[C@@H]12	ZINC22_585162596	329.864	XYFUVLIWAXYEIS-WOVFQEGDSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133287
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_585162597	329.864	XYFUVLIWAXYEIS-XANVIZKASA-N	00100000000000110110010000000000000000000000000000000000	22-01-133288
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_585162598	329.864	XYFUVLIWAXYEIS-ZOYJPBRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133289
CCN(CC)C1S[C@@]2(C(S1)([I-]2)C)C	PC-id_163583758	329.985	LBGOYCJFTHOMAV-QJAFJHJLSA-N	00100010000000000001010000000000000000000000000000000000	22-01-133290
C1=CC=C(C=C1)CN2C([C@@H]3[C@H](C2=O)[I-]3)CO	PC-id_161561661	330	JUILBGLHZJDBEW-FHZGLPGMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133291
C1C2(C1(CN(C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)C=O	PC-id_162367539	330.008	GCFUVIVUYOVCBJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133292
C1C2C(C2(CN1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=O)Cl	PC-id_162367541	330.008	MEOBCNRAOKYLKW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133293
Brc1ccc(cc1)C(C12CCCC1C2)Br	MCULE-1392987515	330.058	WXKVVNHSBXLVOQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133294
BrC(C1C2C1CCC2)c1ccc(Br)cc1	PC-id_81636328	330.058	ITRSPWJWQWVMMM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133295
BrC(C1CC2C(C2)C1)c1ccc(Br)cc1	PC-id_80470491	330.058	RLEPCFFHNLXRNU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133296
CC(=O)OC1C(O[C@H]2C[C@]2(C1OC(=O)C)OC(=O)C)C(=O)OC	PC-id_154960889	330.095	SPBDSCODIPBJSG-XJKRIIPFSA-N	00100000000010000000010000000000000000000000000000000000	22-01-133297
CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3C[C@@H]4C[C@@H]4[C@H]3C[NH-]	PC-id_160502282	330.108	QRYCYEQGLWLHJV-FPMFFAJLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-133298
CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3C[C@H]4C[C@H]4[C@H]3C[NH-]	PC-id_160502283	330.108	QRYCYEQGLWLHJV-MRVWCRGKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-133299
CC1=NC(=C(S1)C2=CC(=CC=C2)F)C(=O)N3C[C@@H]4C[C@@H]4[C@H]3C[NH-]	PC-id_161246684	330.108	VASOYCCGDNKMRW-FPMFFAJLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-133300
CC1=NC(=C(S1)C2=CC(=CC=C2)F)C(=O)N3C[C@H]4C[C@H]4[C@H]3C[NH-]	PC-id_161246685	330.108	VASOYCCGDNKMRW-MRVWCRGKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-133301
CC1=NC(=C(S1)C2=CC(=CC=C2)F)C(=O)N3[C@@H](C[C@H]4[C@@H]3C4)C[NH-]	PC-id_154495353	330.108	RKCXEHRURCXYHX-XBFCOCLRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-133302
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COC1(COC1)c1ccc(cc1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_320111123,MCULE-2914566233	330.378	VZHIZGLMZWPSQM-KDOFPFPSSA-N	00101000000010110000110000000000000000000000000000000000	22-01-133470
F[C@H]1C[C@H](N(C1)C(=O)CNC1C2C1CN(C2)S(=O)(=O)C)C#N	PC-id_69234314,SCHEMBL4900437	330.378	QMSKBPZGTOSUKR-RZNVXILYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-133471
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)OC1COCC1	EMOLS-id_319168605	330.378	LPFVPQZFWBMIEP-CLIJRUEWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133472
OC1C2C(C2C(=O)OC=C)C(NC(C)c2ccccc2)(C1)C(=O)N	PC-id_72365576	330.378	KQERYTRQNSYVGP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133473
O=C(CC12C(C1)CN(C2)C(=O)c1ccc([N+](=O)[O-])cc1)CCCC	PC-id_10853889	330.378	MBPBVMXRCRJABA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133474
OC(C(=O)N1CC2C(C2NC(=O)O)C1)(C1CCC1)c1ccccc1	PC-id_68716607,SCHEMBL3619706	330.378	AGWHCWOPFAWGGZ-UHFFFAOYSA-N	00101010000000110000010000000000000000000000000000000000	22-01-133475
O=C(N1CC2C(C1)C2NC(=O)O)Cc1cccc(c1O)C1CCC1	SCHEMBL3619709,PC-id_68716610	330.378	ZNTQPNKBGFYUHY-UHFFFAOYSA-N	00101010000000110000110000000000000000000000000000000000	22-01-133476
O=C(NN=Cc1ccc(OCC(=O)O)cc1)[C@@H]1[C@]2([C@@H]1CCCC2)C	PC-id_40932753	330.378	AZTKVTYXXONLGD-QGPMSJSTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133477
O=C(NN=Cc1ccc(OCC(=O)O)cc1)[C@@H]1[C@@]2([C@H]1CCCC2)C	PC-id_5502117	330.378	AZTKVTYXXONLGD-LESCRADOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133478
O=C(NN=Cc1cc(OC)c(OC(=O)C)cc1)C1[C@@H]2[C@H]1CCCC2	PC-id_5394150	330.378	GHDNMAVXCWMYNK-VMZNBEPHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133479
OC(=O)CCNC(=O)c1ccc(cc1)NC(=O)C1C2C1CCCC2	PC-id_119223047	330.378	IOXFPWBIMGWBCT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133480
O=C(O)[C@H]1[C@H]2CN(C(=O)c3ccccc3N3CCOCC3)CC[C@@H]12	ZINC22_910841659	330.378	PGYFNQJFOUTGHQ-IVMMDQJWSA-N	00100000000010110001110000000000000000000000000000000000	22-01-133481
OC(=O)CNC(=O)Cc1ccc(cc1)NC(=O)C1C2C1CCCC2	PC-id_119224588	330.378	FFZPTTPOECRXFA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133482
OC(=O)COc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560551	330.378	AZTKVTYXXONLGD-LHYBKOHLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133483
OC(=O)COc1ccc(cc1)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560552	330.378	AZTKVTYXXONLGD-REOFZRTJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133484
OC(=O)COc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560553	330.378	AZTKVTYXXONLGD-MCGHTFFLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133485
OC(=O)COc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560554	330.378	AZTKVTYXXONLGD-WHOAFWIASA-N	00100000000010110000010000000000000000000000000000000000	22-01-133486
OC(=O)COc1ccc(cc1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560555	330.378	AZTKVTYXXONLGD-KNQUQLGCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133487
OC(=O)COc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560556	330.378	AZTKVTYXXONLGD-LFSZKJGOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133488
OC(=O)COc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560557	330.378	AZTKVTYXXONLGD-RMJAIPCJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133489
OC(=O)COc1ccc(cc1)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560558	330.378	AZTKVTYXXONLGD-OZFPBXEESA-N	00100000000010110000010000000000000000000000000000000000	22-01-133490
OC(=O)COc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98078959	330.378	AZTKVTYXXONLGD-MULPJXLZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133491
OC(=O)COc1ccc(cc1)/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98078960	330.378	AZTKVTYXXONLGD-RAQNOLLMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133492
S(=O)(=O)(N1CC2C(C2NCC(=O)N2C(CC(F)C2)C#N)C1)C	PC-id_77633102	330.378	QMSKBPZGTOSUKR-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-133493
Cc1cc(O)c(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)CC2)nn1	ZINC22_1875331836	330.382	DYORUPFYXSBZGF-ITGUQSILSA-N	00100010000010100001010000000000000000000000000000000000	22-01-133494
O=c1ccc(n[nH]1)C(=O)N1CCCCC1C(=O)NC1CC2C(C1)C2	EMOLS-id_102237639	330.382	UDYPPXFOBQOISK-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-133495
OC[C@]12C[C@H]1CCCN2C(=O)c1nccc(c1)N1CCNC(=O)C1	EMOLS-id_318823203	330.382	JUNFADBOGNOGEX-SJKOYZFVSA-N	00100000000010101001110000000000000000000000000000000000	22-01-133496
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)c1ccc(nc1)N1CCOCC1	EMOLS-id_319337149	330.382	PSRVUHIHCTXXMH-DYVFJYSZSA-N	00100000000010101001110000000000000000000000000000000000	22-01-133497
FC(F)(F)C1CCC(NC(=O)/C(=C(N2CC3C(C3)C2)/C)/C)CC1	PC-id_67978961	330.388	HAZFDTFVEXZKTR-KHPPLWFESA-N	00100010000010000000010000000000000000000000000000000000	22-01-133498
FC(F)(F)C1CCC(NC(=O)C(=C(N2CC3C(C3)C2)C)C)CC1	PC-id_77391150	330.388	HAZFDTFVEXZKTR-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-133499
O=C(/C(=C(N1CC2C(C1)C2)/C)/C)N[C@@H]1CC[C@H](CC1)C(F)(F)F	SCHEMBL9947087	330.388	HAZFDTFVEXZKTR-QAGFWTOWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-133500
O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)C1(C2CCCCC2)CC1	ZINC22_1615553069,EMOLS-id_316793276,MCULE-8330795660	330.388	GCBVBWYTYYJSSS-HOCLYGCPSA-N	00100010000010000000110000000000000000000000000000000000	22-01-133501
CC(C)[C@@H]1C2C1(S[C@H](C2OC(=O)C)COC(=O)C)OC(=O)C	SCHEMBL20380916,PC-id_135224017	330.397	FVLGLKRGZTVMHH-PBWBXLIUSA-N	00100010000000000000010000000000000000000000000000000000	22-01-133502
C=CC(=O)Nc1cc(ccc1F)NC(=O)C1C2C1CCCCCC2	MCULE-5269855070,PC-id_139020687	330.397	OGHDXSLNRNDLDI-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-133503
C=CC(=O)Nc1cc(NC(=O)C2[C@H]3CCCCCC[C@H]23)ccc1F	ZINC22_829801252	330.397	OGHDXSLNRNDLDI-KBPBESRZSA-N	00100000000000110100010000000000000000000000000000000000	22-01-133504
C=CC(=O)Nc1cc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)ccc1F	ZINC22_829801256	330.397	OGHDXSLNRNDLDI-ZIAGYGMSSA-N	00100000000000110100010000000000000000000000000000000000	22-01-133505
C=CC(=O)Nc1cc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@@H]23)ccc1F	ZINC22_829801254	330.397	OGHDXSLNRNDLDI-UOIKSKOESA-N	00100000000000110100010000000000000000000000000000000000	22-01-133506
CCOC(=O)C1(SOOCC)CC2C(C1)(C2)C(=C)C(=O)OC	SCHEMBL13108986,PC-id_58689543	330.397	ZZFNIIDJCPCYLS-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-133507
c1ccc(cc1)P(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2	PC-id_141187334	330.401	ZGGBXUPHUNEQIV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133508
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)Cc1cnc(c2ccccc2OC)s1	EMOLS-id_49875952,MCULE-5379963530,ZINC22_217119031	330.401	YTQSLDKTMYFXKJ-NHAGDIPZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-133509
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc([nH]c1=O)c1cccs1	EMOLS-id_319316377	330.401	UVFCWQKDFAWEAM-PIGZYNQJSA-N	00100000100110101000110000000000000000000000000000000000	22-01-133510
O=C(O)[C@H]1[C@H]2CN(C(=O)c3cccn3Cc3cccs3)CC[C@@H]12	ZINC22_910843118	330.401	ZGAKYCSZSPOTRW-VNHYZAJKSA-N	00100000110110000000010000000000000000000000000000000000	22-01-133511
s1c(CN2C[C@@H]3[C@@H](C3C(=O)O)C2)cnc1c1c(OC)cccc1	PC-id_77083996	330.401	YTQSLDKTMYFXKJ-NNQSOWQGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-133512
CC1(C)OC[C@H]2C[C@@]12NC(=O)Nc1csc(c2ccccn2)n1	ZINC22_529052359	330.405	WFVFYWZFIQBDJU-HWPZZCPQSA-N	00100010100000101001110000000000000000000000000000000000	22-01-133513
CC1(C)OC[C@@H]2C[C@]12NC(=O)Nc1csc(c2ccccn2)n1	ZINC22_529052361	330.405	WFVFYWZFIQBDJU-MGPLVRAMSA-N	00100010100000101001110000000000000000000000000000000000	22-01-133514
CC1(C)OC[C@@H]2C[C@@]12NC(=O)Nc1csc(c2ccccn2)n1	ZINC22_529052364	330.405	WFVFYWZFIQBDJU-QFYYESIMSA-N	00100010100000101001110000000000000000000000000000000000	22-01-133515
CC1(C)OC[C@H]2C[C@]12NC(=O)Nc1csc(c2ccccn2)n1	ZINC22_529052368	330.405	WFVFYWZFIQBDJU-QLJPJBMISA-N	00100010100000101001110000000000000000000000000000000000	22-01-133516
Cc1scc(n1)c1c[nH]c(c1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319479826	330.405	GJVABYGROIIHBK-BZNIZROVSA-N	00100000110010000001110000000000000000000000000000000000	22-01-133517
OC[C@]12C[C@H]1CCCN2C(=O)c1sc(nc1C)c1ncccn1	MCULE-2630891147,EMOLS-id_320076655	330.405	HBZJXTUVKQODEL-BDJLRTHQSA-N	00100000100010100001110000000000000000000000000000000000	22-01-133518
O=C(NC12CC1COC2(C)C)Nc1csc(n1)c1ccccn1	MCULE-9683053583,EMOLS-id_316979741	330.405	WFVFYWZFIQBDJU-UHFFFAOYSA-N	00100010100000101001110000000000000000000000000000000000	22-01-133519
CC(=O)O[Si](OC(=O)C)(OC(=O)C)CCC12CCCCC1O2	PC-id_140051588	330.406	ULNFUYRURGLRKM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-133520
CC(=O)O[Si](OC(=O)C)(OC(=O)C)CCC1CCC2C(C1)O2	SCHEMBL3299307,PC-id_22292689	330.406	ITDRUWCDRICZRY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-133521
O=NS1(C)c2c1cc(cc2)C(=N)c1c(N)ncnc1NC(C)C	PC-id_138706274,SCHEMBL21082555	330.408	SNDRZKCPUFVWPG-UHFFFAOYSA-N	00100000000000100001010000000000000000000000000000000000	22-01-133522
C1CC2C(O2)CC1COc1cc(ccc1)OCC1CCC2C(C1)O2	PC-id_89325964,SCHEMBL12852056	330.418	ORKMTWVVJDNQLV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133523
C1CC2OC2CC1OCc1ccc(cc1)COC1CCC2C(C1)O2	PC-id_101130782	330.418	OVIGOFICAJCQBQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133524
c1cc(OCC2CCC3C(C2)O3)cc(c1)OCC1CCC2[C@H](C1)O2	SCHEMBL14397231	330.418	ORKMTWVVJDNQLV-JOLKWQFUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133525
C1CC(OCc2cccc(c2)COC2CCCC3C2O3)C2C(C1)O2	SCHEMBL12852120,PC-id_59390534	330.418	XUVWSFYRTHSQKH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133526
C=C[C@@H]1C[C@@H](OCc2ccccc2)[C@H]2O[C@H]2CC[C@](O1)(OC)C=C	PC-id_101470884	330.418	FWVCDLMYXOLAMQ-RMMWZPCPSA-N	00100000000000110100010000000000000000000000000000000000	22-01-133527
COc1ccc(cc1)COCCCC/C=CC[C@@H]1CC(=O)C2C1O2	SCHEMBL19399686	330.418	KREQEWSEPJEITK-VDAVVQJISA-N	00100010000000110000010000000000000000000000000000000000	22-01-133528
O1[C@@]2([C@]1(CCCC2(C)C)C)/C=C/C1=C/C(=C/C(=C/CO)/C)/OC1=O	PC-id_11163324	330.418	AYUQMOVZLLNTHS-VYQSBZHKSA-N	00100011000010000000010000000000000000000000000000000000	22-01-133529
O1C2(C1(CCCC2(C)C)C)C=CC1=CC(=CC(=CCO)C)OC1=O	PC-id_85420940	330.418	AYUQMOVZLLNTHS-UHFFFAOYSA-N	00100011000010000000010000000000000000000000000000000000	22-01-133530
O1[C@@]2([C@]1(CCCC2(C)C)C)/C=C/C(=C/C#C/C(=C/CO)/C)/C(=O)O	PC-id_11267512	330.418	LEGRNXVBDHUQPN-DFLGBMFTSA-N	00100000000010000000010000000000000000000000000000000000	22-01-133531
O1C2(C1(CCCC2(C)C)C)C=CC(=CC#CC(=CCO)C)C(=O)O	PC-id_72776517	330.418	LEGRNXVBDHUQPN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-133532
O=C(C(=C)C12CCCC2C1)OCCOC(=O)C(=C)C12CCCC2C1	PC-id_59824561,SCHEMBL14019694	330.418	MLXMMSLVDNZXRQ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-133533
OC/C=C(/C=C
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C12(CCCCC1C2C(=O)NN=Cc1ccc(c(OC)c1)OCC)C	MCULE-3690482628,PC-id_5037973	330.421	DZVFTTHPJVLOEH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133535
C12(CCCCC1C2C(=O)NN=Cc1ccc(c(OCC)c1)OC)C	PC-id_72177772,MCULE-9546401035	330.421	ZLIMSBWJFFCIJE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133536
C12(C)CN(CC1C2)Cc1ccc(cc1)OCC(=O)N1CCOCC1	PC-id_138808898,EMOLS-id_317850087,MCULE-3521761677	330.421	ZBHQGPMQCQPDFA-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-133537
C1COCCC1(CN1CC2C(C1)C2CNC(=O)c1ccccc1)O	SCHEMBL19888404,PC-id_134274260	330.421	AZHPJEKMXHIVBL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133538
C[C@@]12C[C@@H]1CN(Cc1ccc(OCC(=O)N3CCOCC3)cc1)C2	ZINC22_1775982853	330.421	ZBHQGPMQCQPDFA-APWZRJJASA-N	00100010000010110001010000000000000000000000000000000000	22-01-133539
C[C@@]12C[C@H]1CN(Cc1ccc(OCC(=O)N3CCOCC3)cc1)C2	ZINC22_1775982856	330.421	ZBHQGPMQCQPDFA-LPHOPBHVSA-N	00100010000010110001010000000000000000000000000000000000	22-01-133540
C[C@]12C[C@H]1CN(Cc1ccc(OCC(=O)N3CCOCC3)cc1)C2	ZINC22_1775982857	330.421	ZBHQGPMQCQPDFA-QFBILLFUSA-N	00100010000010110001010000000000000000000000000000000000	22-01-133541
C[C@]12C[C@@H]1CN(Cc1ccc(OCC(=O)N3CCOCC3)cc1)C2	ZINC22_1775982860	330.421	ZBHQGPMQCQPDFA-VQIMIIECSA-N	00100010000010110001010000000000000000000000000000000000	22-01-133542
Cc1cccc(c1)C(=O)N(C(C)(C)C)NC(=O)C1CCC2C(C1)O2	SCHEMBL8174009	330.421	DCZSTRPJKHCYCZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133543
CC1(C(O1)CCC1(C(O1)CCC12CC(C(CC1O2)C#N)C#N)C)C	PC-id_89216403,SCHEMBL13976932	330.421	WAMLCCRBLDZPIJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-133544
CCC(NC(=O)c1ccc(cc1)NC(=O)C1C2C1CCCC2)CO	PC-id_109995723	330.421	WPIJRLURHWPJLY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133545
CCC(NC(=O)Cc1ccc(cc1)NC(=O)C1C2C1CCC2)CO	PC-id_112350375	330.421	ALWFVCIPNHSFDP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133546
C[C@@H](c1ccccc1)NC(=O)C1[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_134477813	330.421	XBQXWXMMBLTDNN-NTQSIJHJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133547
C[C@@H](c1ccccc1)NC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	SCHEMBL20116389	330.421	XBQXWXMMBLTDNN-ARLBYUKCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133548
CCOc1ccc(cc1OC)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561871	330.421	DZVFTTHPJVLOEH-LAXVYMIXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133549
CCOc1ccc(cc1OC)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561872	330.421	DZVFTTHPJVLOEH-LQMFVMJXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133550
CCOc1ccc(cc1OC)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561873	330.421	DZVFTTHPJVLOEH-GESKFVNJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133551
CCOc1ccc(cc1OC)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561874	330.421	DZVFTTHPJVLOEH-LSOUMZHVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133552
CCOc1ccc(cc1OC)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561875	330.421	DZVFTTHPJVLOEH-OGIZRACOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133553
CCOc1ccc(cc1OC)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561876	330.421	DZVFTTHPJVLOEH-BNKDVXHNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133554
CCOc1ccc(cc1OC)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561878	330.421	DZVFTTHPJVLOEH-GNRCFQDZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133555
CCOc1ccc(cc1OC)/C=NNC(=O)[C@@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98075301	330.421	DZVFTTHPJVLOEH-QBVVGABDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133556
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CCOc1ccc(cc1OC)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	PC-id_98719841,CoCoCo_6561877	330.421	DZVFTTHPJVLOEH-KJPVGKAWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133558
CCOc1ccc(cc1OC)/C=NNC(=O)[C@@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98828342	330.421	DZVFTTHPJVLOEH-RVPBBUDFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133559
CCOc1ccc(/C=N/NC(=O)C2C3CCCCC23C)cc1OC	PC-id_9689451,EMOLS-id_46446710	330.421	DZVFTTHPJVLOEH-UDWIEESQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133560
CCOc1cc(/C=N/NC(=O)C2C3CCCCC23C)ccc1OC	EMOLS-id_46447075,PC-id_21208720	330.421	ZLIMSBWJFFCIJE-UDWIEESQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133561
CCOc1cc(/C=N/NC(=O)[C@H]2[C@@H]3[C@@]2(C)CCCC3)ccc1OC	CoCoCo_6615192	330.421	ZLIMSBWJFFCIJE-LAXVYMIXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133562
CCOc1cc(/C=NNC(=O)[C@H]2[C@H]3[C@]2(C)CCCC3)ccc1OC	CoCoCo_6615193	330.421	ZLIMSBWJFFCIJE-LQMFVMJXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133563
CCOc1cc(/C=N/NC(=O)[C@H]2[C@H]3[C@]2(C)CCCC3)ccc1OC	CoCoCo_6615194	330.421	ZLIMSBWJFFCIJE-GESKFVNJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133564
CCOc1cc(/C=NNC(=O)[C@@H]2[C@H]3[C@]2(C)CCCC3)ccc1OC	CoCoCo_6615195	330.421	ZLIMSBWJFFCIJE-LSOUMZHVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133565
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3[C@]2(C)CCCC3)ccc1OC	CoCoCo_6615196	330.421	ZLIMSBWJFFCIJE-OGIZRACOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133566
CCOc1cc(/C=NNC(=O)[C@H]2[C@@H]3[C@@]2(C)CCCC3)ccc1OC	CoCoCo_6615197	330.421	ZLIMSBWJFFCIJE-BNKDVXHNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133567
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3[C@@]2(C)CCCC3)ccc1OC	CoCoCo_6615199	330.421	ZLIMSBWJFFCIJE-GNRCFQDZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133568
CCOc1cc(/C=NNC(=O)[C@@H]2[C@@H]3[C@]2(C)CCCC3)ccc1OC	PC-id_98275001	330.421	ZLIMSBWJFFCIJE-QBVVGABDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133569
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CCn1nccc1C(=O)N1CCC2CC12C(=O)N1CCC(C)CC1	EMOLS-id_324079679	330.425	QOWKORXNHWOMKE-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-133604
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CCn1nccc1C(=O)N1CC[C@@H]2C[C@]12C(=O)N1CCC(C)CC1	ZINC22_2056225395	330.425	QOWKORXNHWOMKE-KDOFPFPSSA-N	00100010100010000001010000000000000000000000000000000000	22-01-133606
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O=C(O)C1(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)CCCCCC1	ZINC22_852957517	331.355	QJOZBXHZSKRTDW-ABAIWWIYSA-N	00100000000010000100010000000000000000000000000000000000	22-01-133906
Fc1ccc(c(c1)c1nn(cc1C(=O)NC1CCCC2C1C2)C)F	EMOLS-id_318687580	331.36	WCMYDWYHMGJQMI-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-133907
Fc1ccc(c(c1)c1nn(cc1C(=O)NC1CCC[C@H]2[C@@H]1C2)C)F	EMOLS-id_318687324	331.36	WCMYDWYHMGJQMI-IYKUOYNKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-133908
O=C(c1ccc(s1)c1ccc(cc1)F)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)O	MCULE-7860228098,EMOLS-id_318543847	331.361	YXOLROVUMJIJDZ-JYAVWHMHSA-N	00100010100100110000110000000000000000000000000000000000	22-01-133909
O=C(c1scc(c1)c1ccc(cc1)F)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)O	EMOLS-id_318763054,MCULE-6410509051	331.361	LAPDMKDPMNGWKB-NHAGDIPZSA-N	00100010100100110000110000000000000000000000000000000000	22-01-133910
OC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1ccc(s1)c1cccc(c1)F	EMOLS-id_318579745,MCULE-5300685769	331.361	ZRDUPEQLRBEYLN-JYAVWHMHSA-N	00100010100100110000110000000000000000000000000000000000	22-01-133911
OC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1ccc(s1)c1ccccc1F	EMOLS-id_318665707,MCULE-4461553686	331.361	BYSBHHIOOISXJC-HBYGRHMLSA-N	00100010100100110000110000000000000000000000000000000000	22-01-133912
OC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1sccc1c1ccc(cc1)F	EMOLS-id_318586885,MCULE-3971696840	331.361	CDAVPAQBHWUDNO-WDNDVIMCSA-N	00100010100100110000110000000000000000000000000000000000	22-01-133913
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1ccc(c(CC=C)c1)OC)C(=O)O	ZINC22_1704315876,PC-id_135101929,EMOLS-id_317340555,MCULE-9456012049	331.363	PYOFNAQSWPZAGF-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133914
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1)C(C)(C)C	MCULE-4497163504,ZINC22_1704312593,PC-id_135103754,EMOLS-id_317371509	331.363	GGPAOWHQRQQNPR-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133915
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1)CC(C)C	PC-id_135090101,MCULE-4841355607,EMOLS-id_317381731,ZINC22_1704307389	331.363	YLPXKHNJYYNMJV-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133916
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1)CCCC	ZINC22_1704316391,MCULE-5393428008,EMOLS-id_317339016,PC-id_135100547	331.363	ZKDWSYCITMZGDI-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133917
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1ccc(cc1)C(C)C	EMOLS-id_317383795,ZINC22_1704313288,PC-id_135107098,MCULE-3866986949	331.363	IEZUGQMIYITHGZ-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133918
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1c(C)cc(cc1C)C	MCULE-8605735402,ZINC22_1704329443,EMOLS-id_317344948,PC-id_135110128	331.363	UZUBGJRGNZVERA-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133919
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CCc1ccc(cc1C)C	EMOLS-id_317373858,ZINC22_1704324886,MCULE-4330621013,PC-id_135116382	331.363	ABOWTBJSXJRIMA-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133920
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CCc1ccc(cc1)CC	MCULE-2191128318,EMOLS-id_317328251,PC-id_135100091,ZINC22_1704304155	331.363	AWNMECIGBBYRCI-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133921
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CC(C)(C)c1ccccc1	EMOLS-id_317344201,MCULE-6778999738,PC-id_135120353,ZINC22_1704336932	331.363	MVSJVDHEBIMIDG-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133922
CC1=CCC[C@H]2[C@@H](CC1)[C@@H]2COC(=O)Oc1ccc(cc1)[N+](=O)[O-]	SCHEMBL16746037,PC-id_118099891	331.363	ZKSDQENYYYAENY-GVDBMIGSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-133923
CC(C)(C)OC(=O)N1C(C2CC2C1=O)C(=O)OCc1ccccc1	PC-id_90423076	331.363	DJHRLVNMLXCRON-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133924
CCOC(=O)C12C(=O)N(CCC1C2C)C(=O)OCc1ccccc1	PC-id_20089960,SCHEMBL9186750	331.363	BNCTURZCLJSYTN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133925
O=C([C@H]1N(C(=O)OC(C)(C)C)C(=O)[C@H]2[C@@H]1C2)OCc1ccccc1	SCHEMBL16055273	331.363	DJHRLVNMLXCRON-MJBXVCDLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133926
O=C(N1CC2(C(C1=O)C2)COC(=O)c1ccccc1)OC(C)(C)C	SCHEMBL17137528,PC-id_118414692	331.363	NPDCUZSGXAPXJU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133927
O=C(O)[C@H]1[C@H]2CN(C(=O)c3ccc(O[C@@H]4CCOC4)cc3)CC[C@@H]12	ZINC22_910850230	331.363	BKQJAITYJPNXOO-LVQVYYBASA-N	00100010000010110000010000000000000000000000000000000000	22-01-133928
O=C(O)[C@H]1[C@H]2CN(C(=O)c3ccc(O[C@H]4CCOC4)cc3)CC[C@@H]12	ZINC22_910850233	331.363	BKQJAITYJPNXOO-XUWVNRHRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133929
C12(CCCCC1C2C(=O)NN=Cc1ccc(c(c1)N(=O)=O)OC)C	PC-id_72182897,MCULE-9557467417	331.366	OUKPYGIDMBTLKE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133930
CC(C(=O)N1CC2C(C1)C2(C)C)NC(=O)c1cccc(c1)[N+](=O)[O-]	MCULE-2452810850,EMOLS-id_43382681,PC-id_72125066	331.366	CHLIYDLCGBLJJG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133931
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C	PC-id_96098538,ZINC22_76041735	331.366	CHLIYDLCGBLJJG-HONMWMINSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133932
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C	PC-id_98188623,ZINC22_101278054	331.366	CHLIYDLCGBLJJG-ZLKJLUDKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133933
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2[C@H](C1)C2(C)C	ZINC22_246610704	331.366	CHLIYDLCGBLJJG-BPNCWPANSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133934
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C	ZINC22_76041733,PC-id_96098536	331.366	CHLIYDLCGBLJJG-LEWSCRJBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-133935
CCOC(=O)[C@H]1[C@H]2CN(C(=O)c3cc(O)nc(C4CC4)n3)CC[C@@H]12	ZINC22_928115076	331.366	OINUWMIYIHSQOH-UHIISALHSA-N	00100000000010100001110000000000000000000000000000000000	22-01-133936
[C@H]1([C@@H]2[C@H]1CC[C@]2(C(=O)N)N)C(=O)N[C@H](C(=O)O)Cc1ccccc1	CHEMBL1197092,PC-id_44398917	331.366	HEQCMQGCEOVFJB-SMXCXOSKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133937
COc1ccc(cc1[N+](=O)[O-])/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6250236	331.366	OUKPYGIDMBTLKE-QYGPUGPKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133938
COc1ccc(cc1[N+](=O)[O-])/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6250237	331.366	OUKPYGIDMBTLKE-AEBOJEQASA-N	00100000000010110000010000000000000000000000000000000000	22-01-133939
COc1ccc(cc1[N+](=O)[O-])/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6250238	331.366	OUKPYGIDMBTLKE-LIMKSIAESA-N	00100000000010110000010000000000000000000000000000000000	22-01-133940
COc1ccc(cc1[N+](=O)[O-])/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6250239	331.366	OUKPYGIDMBTLKE-YDDYTMOLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133941
COc1ccc(cc1[N+](=O)[O-])/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6250240	331.366	OUKPYGIDMBTLKE-SXKSMHOPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133942
COc1ccc(cc1[N+](=O)[O-])/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6250241	331.366	OUKPYGIDMBTLKE-HDKMVHOHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133943
COc1ccc(cc1[N+](=O)[O-])/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6250242,PC-id_98660378	331.366	OUKPYGIDMBTLKE-VTMOVLHUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133944
COc1ccc(cc1[N+](=O)[O-])/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6250243	331.366	OUKPYGIDMBTLKE-WWEYPGKVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133945
COc1ccc(cc1[N+](=O)[O-])/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98104216	331.366	OUKPYGIDMBTLKE-SKZFHBRESA-N	00100000000010110000010000000000000000000000000000000000	22-01-133946
COc1ccc(cc1[N+](=O)[O-])/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98104218	331.366	OUKPYGIDMBTLKE-KGSMTARTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133947
COc1ccc(/C=N/NC(=O)C2C3CCCCC23C)cc1[N+](=O)[O-]	EMOLS-id_26613084,PC-id_16465025	331.366	OUKPYGIDMBTLKE-VCHYOVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133948
O=C1CC(CN1Cc1ccco1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_320119476,MCULE-4777092775	331.366	ICVOMWYLEYUSFR-GKOVRZRLSA-N	00100010101010000000010000000000000000000000000000000000	22-01-133949
O=C(NC(Cc1ccccc1)C(=O)O)C1C2C1CCC2(N)C(=O)N	PC-id_75012178	331.366	HEQCMQGCEOVFJB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133950
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O=C(NN=Cc1cc([N+](=O)[O-])c(OC)cc1)[C@H]1[C@@]2([C@H]1CCCC2)C	PC-id_25897896	331.366	OUKPYGIDMBTLKE-NUTKFTJISA-N	00100000000010110000010000000000000000000000000000000000	22-01-133953
[O-][N+](=Cc1cc([N+](=O)[O-])ccc1)C1(CC2C(C2CC1=NO)(C)C)C	PC-id_16196131	331.366	IAEAEBWWPMMKPU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133954
[O-]/[N+](=C/c1cc([N+](=O)[O-])ccc1)/C1(CC2C(C2CC1=NO)(C)C)C	PC-id_21234445	331.366	IAEAEBWWPMMKPU-RJJAOXBTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133955
[O-][N+](=Cc1cc([N+](=O)[O-])ccc1)C1(CC2C(C2C=C1NO)(C)C)C	PC-id_73130514	331.366	ASDMVWXPMSYTPY-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-133956
[O-][N+](=Cc1cc([N+](=O)[O-])ccc1)[C@]1(C[C@@H]2C([C@@H]2C=C1NO)(C)C)C	PC-id_11865090	331.366	ASDMVWXPMSYTPY-KEYYUXOJSA-N	00100000000011110000010000000000000000000000000000000000	22-01-133957
[O-]/[N+](=C/c1c([N+](=O)[O-])cccc1)/C1(CC2C(C2CC1=NO)(C)C)C	PC-id_21234444	331.366	LQWRESJLWLXTNF-RJJAOXBTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133958
[O-][N+](=Cc1c([N+](=O)[O-])cccc1)C1(CC2C(C2CC1=NO)(C)C)C	PC-id_4050714	331.366	LQWRESJLWLXTNF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133959
[O-][N+](=Cc1c([N+](=O)[O-])cccc1)C1(CC2C(C2C=C1NO)(C)C)C	PC-id_78267679	331.366	HPVUWUXXFUOJQF-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-133960
[O-][N+](=Cc1c([N+](=O)[O-])cccc1)[C@@]1(C[C@@H]2C([C@@H]2C=C1NO)(C)C)C	PC-id_2325669	331.366	HPVUWUXXFUOJQF-IIYDPXPESA-N	00100000000011110000010000000000000000000000000000000000	22-01-133961
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[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C(=O)CN1CCN(CC1)c1ncccn1	ZINC22_426628692,EMOLS-id_177478619,MCULE-4818222857	331.37	CMBFCVGGOUSYHD-IMRBUKKESA-N	00100010000010100001110000000000000000000000000000000000	22-01-133963
OC[C@]12C[C@H]1CCCN2C(=O)c1nnn(c1C)Cc1onc(c1)C	EMOLS-id_319006374	331.37	ZONSYPYIUBOWCP-MLGOLLRUSA-N	00100000100010000001010000000000000000000000000000000000	22-01-133964
O=C(N1C[C@@H]2[C@H](C1)C2C(=O)O)CN1CCN(CC1)c1ncccn1	PC-id_121509582	331.37	CMBFCVGGOUSYHD-ONXXMXGDSA-N	00100010000010100001110000000000000000000000000000000000	22-01-133965
O=C(N1CC2C(C1)C2(C)C)Nc1nnn(c1C)Cc1noc(n1)C	EMOLS-id_98447770	331.373	HDKXEUUEFZHZEC-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-133966
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O=C(NC[C@@]12CNC[C@@]1(C(F)(F)F)C2)N1CC(C2CCCC2)C1	ZINC22_1615591436	331.376	XKQDLXXYIBGPEQ-CABCVRRESA-N	00101010000000000000110000000000000000000000000000000000	22-01-133968
O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)N1CC(C2CCCC2)C1	ZINC22_1615591450,MCULE-8747340690,EMOLS-id_316756923	331.376	XKQDLXXYIBGPEQ-GJZGRUSLSA-N	00101010000000000000110000000000000000000000000000000000	22-01-133969
COc1ccccc1CCNS(=O)(=O)C1CC2C(C1)C2(F)F	EMOLS-id_317040463,MCULE-5045283289	331.378	RGTDVBWWSLSYKT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133970
COc1ccccc1CCNS(=O)(=O)C1C[C@@H]2[C@@H](C1)C2(F)F	ZINC22_1775991328	331.378	RGTDVBWWSLSYKT-CHWSQXEVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133971
COc1ccccc1CCNS(=O)(=O)C1C[C@H]2[C@H](C1)C2(F)F	ZINC22_1775991333	331.378	RGTDVBWWSLSYKT-STQMWFEESA-N	00100010000010110000010000000000000000000000000000000000	22-01-133972
COc1ccccc1CCNS(=O)(=O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	ZINC22_1775991330	331.378	RGTDVBWWSLSYKT-CLLJXQQHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-133973
FC(Oc1ccccc1CNS(=O)(=O)C1C2C1CCCC2)F	EMOLS-id_319476815	331.378	RYVNBAAHSXJINQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133974
OC[C@]12C[C@H]1CCCN2S(=O)(=O)CCc1c(F)cccc1F	EMOLS-id_318993724	331.378	ZWJSPMZDHSYYNY-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-133975
CCOC(=O)C12CC1CN(C2)C(=O)C1(C(C1F)C)c1ccccc1	PC-id_90753332	331.381	MUZFDHYQSZWDTK-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-133976
CN(C(c1cscn1)C(=O)NC[C@]12OCCC[C@H]1C2(F)F)C	MCULE-9630679207,EMOLS-id_320175565	331.381	MIHXJCSRDSLAHI-XEEJXUNPSA-N	00100000100010000001010000000000000000000000000000000000	22-01-133977
OC(=O)[C@]1(N)[C@H](SCc2cccs2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	PC-id_11290473,SCHEMBL5089396	331.383	VHLNITVZZOMWRR-OAEYFNCWSA-N	00100010100110000000010000000000000000000000000000000000	22-01-133978
S(C1C(N)(C2C(C2(F)C(=O)O)C1)C(=O)O)Cc1sccc1	PC-id_72785998	331.383	VHLNITVZZOMWRR-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-133979
CC1CCN(CC1)C(=O)C12CC1CCN2C(=O)c1ccnc(F)c1	EMOLS-id_324080949	331.385	IODAQGGDCGSANB-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-133980
CC1CCN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)c2ccnc(F)c2)CC1	ZINC22_2056225218	331.385	IODAQGGDCGSANB-KBXCAEBGSA-N	00100010000010101000010000000000000000000000000000000000	22-01-133981
CC1CCN(C(=O)[C@]23C[C@H]2CCN3C(=O)c2ccnc(F)c2)CC1	ZINC22_2056225219	331.385	IODAQGGDCGSANB-KDOFPFPSSA-N	00100010000010101000010000000000000000000000000000000000	22-01-133982
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O=S(=O)(NCc1ccccc1n1ccnc1)C1[C@H]2CCCC[C@H]12	ZINC22_1775993826	331.433	LNBYZUBDDVKBGG-GJZGRUSLSA-N	00100000100010110001110000000000000000000000000000000000	22-01-134070
O=S(=O)(NCc1ccccc1n1ccnc1)C1[C@@H]2CCCC[C@@H]12	ZINC22_1775993827	331.433	LNBYZUBDDVKBGG-HUUCEWRRSA-N	00100000100010110001110000000000000000000000000000000000	22-01-134071
O=S(=O)(NCc1ccccc1n1ccnc1)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_1775993828	331.433	LNBYZUBDDVKBGG-QLPKVWCKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-134072
CC(C)Cc1ccc(CCC(=O)N2C[C@]3(CO)C[C@]3(CO)C2)cc1	EMOLS-id_317051676,PC-id_136589033,ZINC22_1615551421,MCULE-3863246928	331.449	LSCLXGMBUWVFSF-BGYRXZFFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134073
CC(C)(C)OC(=O)N(CCC1CCCC2OC12)Cc1ccccc1	MCULE-2700676595,EMOLS-id_313130710	331.449	JALLVGALDRIHQA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134074
OCC12C(C1)C(CN(C2)Cc1ccccc1)COC1OCCCC1	PC-id_20089898,SCHEMBL9177326	331.449	WKTADPTYXPWYNH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134075
OCC12C(C1)CCN(C2COC1CCCOC1)Cc1ccccc1	SCHEMBL9177331,PC-id_67788886	331.449	GOTMMDJYXVOWMH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134076
OCC12C(C1)(CN(C2COC1OCCCC1)Cc1ccccc1)C	PC-id_67789280,SCHEMBL9179925	331.449	GKONEKNHQMCQCN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-134077
OCC12CN(CC2(C1COC1CCCCO1)C)Cc1ccccc1	SCHEMBL9179920,PC-id_20090013	331.449	MEPRFPXERWALFR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-134078
OC(c1ccco1)CC1CCCCCN1C(=O)C1C2C1CCCC2	PC-id_112414837	331.449	DQQCEFBSXJUABS-UHFFFAOYSA-N	00100000101010000100010000000000000000000000000000000000	22-01-134079
C/C(=C/1[C@H]2[C@@H](CC1=O)C2(C)C)/NC(c1ccccc1)c1ccccc1	STOCK1N-33022,PC-id_16397997,EMOLS-id_26409880,ZINC22_100749179	331.451	HNYWDGXJXONHOD-JRJNRIIQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134080
[C@H]12C(=C(C)NC(c3ccccc3)c3ccccc3)C(=O)C[C@H]1C2(C)C	MCULE-3782775989,PC-id_51398249	331.451	HNYWDGXJXONHOD-WIYYLYMNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134081
O=C1C(C2C(C2C1)(C)C)/C(=N/C(c1ccccc1)c1ccccc1)/C	PC-id_78443257	331.451	KCWXJNRGXBWQIJ-BUVRLJJBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134082
O=C1C([C@@H]2C([C@@H]2C1)(C)C)/C(=N/C(c1ccccc1)c1ccccc1)/C	PC-id_7068222	331.451	KCWXJNRGXBWQIJ-AMMLRWQKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134083
OC1=C(C(=NC(c2ccccc2)c2ccccc2)C)C2C(C1)C2(C)C	CNP0462309	331.451	PPEYJULFQKXSKI-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-134084
O=C1C(=C(NC(c2ccccc2)c2ccccc2)C)C2C(C1)C2(C)C	PC-id_3731890,CNP0355083	331.451	HNYWDGXJXONHOD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134085
Cc1ccc(C(=O)N2C[C@H]3[C@H](CN(C)C)[C@H]3C2)cc1OCCCN	ZINC22_426414410,MCULE-2594340639,EMOLS-id_82707837	331.452	OXJVNKPKVZQWOY-OSYLJGHBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134086
Cc1[nH]nc(c1C1CCCCCN1C(=O)C12CC1COC2(C)C)C	EMOLS-id_319266897	331.452	JJHHDWCASDORQO-UHFFFAOYSA-N	00100010100000000101110000000000000000000000000000000000	22-01-134087
CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C	PC-id_98348554,ZINC22_102713507	331.452	OTUZLCDRHFHERE-HZPDHXFCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134088
CN(C)CCOc1ccccc1CNC(=O)N1C[C@H]2[C@H](C1)C2(C)C	ZINC22_102713502,PC-id_98348553	331.452	OTUZLCDRHFHERE-HOTGVXAUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134089
CN(C)CCOc1ccccc1CNC(=O)N1C[C@H]2[C@@H](C1)C2(C)C	ZINC22_96439576,PC-id_97582849	331.452	OTUZLCDRHFHERE-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134090
CN(CCOc1ccccc1CNC(=O)N1CC2C(C1)C2(C)C)C	MCULE-3401344831,EMOLS-id_49067034,PC-id_71990390	331.452	OTUZLCDRHFHERE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134091
COC1(CCN(CC1)C(=O)C1CC[C@@H]2[C@H](CC1)C2)c1nccn1C	EMOLS-id_319640160	331.452	QOLVHONHHQQMDJ-MQVJKMGUSA-N	00100000100010000101110000000000000000000000000000000000	22-01-134092
COc1cc(NCC2[C@H]3CCCCC[C@H]23)nc(C2CCOCC2)n1	ZINC22_2325865137	331.452	OSLHQGZYPNFZFQ-GJZGRUSLSA-N	00100000000010100101110000000000000000000000000000000000	22-01-134093
COc1cc(NCC2[C@@H]3CCCCC[C@@H]23)nc(C2CCOCC2)n1	ZINC22_2325865138	331.452	OSLHQGZYPNFZFQ-HUUCEWRRSA-N	00100000000010100101110000000000000000000000000000000000	22-01-134094
COc1cc(NC[C@@H]2[C@H]3CCCCC[C@@H]23)nc(C2CCOCC2)n1	ZINC22_2325865139	331.452	OSLHQGZYPNFZFQ-ZSHCYNCHSA-N	00100000000010100101110000000000000000000000000000000000	22-01-134095
NCCCOc1cc(ccc1C)C(=O)N1C[C@@H]2[C@H](C1)C2CN(C)C	PC-id_119061554	331.452	OXJVNKPKVZQWOY-ALOPSCKCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134096
O=C(C1CCC2C(C1)C2)Nc1c(=O)n(n(c1C)C)C1CCCCC1	EMOLS-id_319492134	331.452	YPDKLCCTIIGKGF-UHFFFAOYSA-N	00100000100010000001110000000000000000000000000000000000	22-01-134097
O=C(N1CC2C(C2C1)(C)C)Nc1ccc(OCCCN(C)C)cc1	PC-id_72117663	331.452	NLJFRSCOUXMWLN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134098
CC(c1ccccc1)(c1ncnc(n1)C(C12C=CC=CC1C2)(C)C)C	PC-id_145309057	331.454	LLESLDXHVQWIBE-UHFFFAOYSA-N	00100000000011110001010000000000000000000000000000000000	22-01-134099
CCC/C(=C/C(=C)N=C(c1ccccc1NC1c2c1cccc2)N)/C	PC-id_142127467	331.454	NRZCQKZKTPMUFL-CCEZHUSRSA-N	00100000000000110000010000000000000000000000000000000000	22-01-134100
O=C(N1CCC(CC1)c1n(CCN(C)C)ccn1)C1[C@H]2[C@@H]1CNC2	PC-id_72909659	331.456	WNCKAJDJJHOMGQ-XYPWUTKMSA-N	00100010100010000001110000000000000000000000000000000000	22-01-134101
C=CCN(S(=O)(=O)c1ccc(cc1)C)C/C=C/C12CCCC1C2	PC-id_101519717	331.472	TWXFCVKERYRSAX-LFYBBSHMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-134102
S(=O)(=O)(N1C(C2(C(C2)C1)C(=C)CC=C)(C)C)c1ccc(cc1)C	PC-id_73796710	331.472	OJRAABCSPKQRIR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134103
S(=O)(=O)(N1C([C@@]2([C@@H](C2)C1)C(=C)CC=C)(C)C)c1ccc(cc1)C	PC-id_21573368	331.472	OJRAABCSPKQRIR-QFBILLFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134104
CN1CCCCCCCCCC[C@H]2[C@](C(=O)NS1(=O)=O)(N)C2	SCHEMBL13223025,PC-id_59441225	331.474	IYZYXZJLYWBZDN-UKRRQHHQSA-N	00100000000000000101010000000000000000000000000000000000	22-01-134105
S1(=O)(=O)NC(=O)C2(N)C(C2)CCCCCCCCCCN1C	PC-id_72300256	331.474	IYZYXZJLYWBZDN-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-134106
[Si](OCC1OC(OC)C(NC(=O)C)C2OC12)(C(C)(C)C)(C)C	PC-id_73832224	331.48	ZCZHCSWYOHRIRE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-134107
[Si](OC[C@H]1O[C@H](OC)[C@H](NC(=O)C)[C@H]2O[C@@H]12)(C(C)(C)C)(C)C	PC-id_21763637	331.48	ZCZHCSWYOHRIRE-RGDJUOJXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-134108
[Si](OC[C@H]1O[C@@H](OC)[C@H](NC(=O)C)[C@H]2O[C@@H]12)(C(C)(C)C)(C)C	PC-id_21763638	331.48	ZCZHCSWYOHRIRE-RKQHYHRCSA-N	00100000000010000000010000000000000000000000000000000000	22-01-134109
C#CC1C2C(C2(C)C)CC[C@H](C(C1=O)(C)C(NC(=C)C)(CO)C)C	SCHEMBL19721570	331.492	JQMNCPPZXDQCBF-ABDNQPDWSA-N	00100000000000000100010000000000000000000000000000000000	22-01-134110
CC1=CC=C(CC1)C1(C)CCN(CC1)C(=C)c1cc2C(=C)c2cc1C	SCHEMBL18432501	331.494	HBKRBFKCYCQNCE-UHFFFAOYSA-N	00100000000011100000110000000000000000000000000000000000	22-01-134111
CCCCCCCCNC(=O)[C@@H]1[C@@H]2[C@H]1CC/C=CCC/C=C/CC2	CoCoCo_1916552	331.535	QBHPLNHIIIVYLR-DBBZQJQKSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134112
CCCCCCCCNC(=O)[C@@H]1[C@H]2[C@@H]1CC/C=C/CC/C=CCC2	CoCoCo_1916554,CoCoCo_1916553	331.535	QBHPLNHIIIVYLR-GDKLOLSMSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134113
CCCCCCCCNC(=O)[C@@H]1[C@H]2[C@@H]1CC/C=C/CC/C=C/CC2	CoCoCo_1916555	331.535	QBHPLNHIIIVYLR-IGBNGHFJSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134114
CCCCCCCCNC(=O)[C@@H]1[C@@H]2[C@H]1CC/C=CCC/C=CCC2	CoCoCo_1916556	331.535	QBHPLNHIIIVYLR-YAFYRSNXSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134115
CCCCCCCCNC(=O)[C@@H]1[C@@H]2[C@H]1CC/C=C/CC/C=C/CC2	CoCoCo_1916557	331.535	QBHPLNHIIIVYLR-RUXUXLKKSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134116
O=C(NCCCCCCCC)C1C2C1CC/C=C/CCC=CCC2	PC-id_46502139	331.535	QBHPLNHIIIVYLR-AHPWUWHXSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134117
O=C(NCCCCCCCC)C1C2C1CCC=CCCC=CCC2	PC-id_75196442	331.535	QBHPLNHIIIVYLR-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134118
O=C(C1CCC2C(C1)O2)OCCOC(=O)C(Cl)(Cl)Cl	PC-id_102598703	331.577	QADLCOMIDYUJIB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-134119
O=C(N(c1cnc(c(n1)Br)C)Cl)[C@@H]1C[C@@H]2[C@H](N1)C2	PC-id_140318898	331.596	LJHXIFDGKKQUOZ-PRJMDXOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-134120
O=C(c1ccc(c(c1F)Cl)Br)C1C2C1CCCC2	PC-id_113874915	331.608	YIODBNUJMHWVFA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134121
O=C(c1cc(Cl)c(cc1F)Br)C1C2C1CCCC2	PC-id_105398280	331.608	FWKDERHJTDTHIG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134122
Brc1c(OC)c(C(O)C2C3C2CCC3)cc(Cl)c1	PC-id_81643372	331.633	HJRYXTZJXKWHTK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-134123
Brc1c(OC)c(C(O)C2CC3C(C3)C2)cc(Cl)c1	PC-id_80470398	331.633	GJZZVZRVFSZXSH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-134124
BrC(C1C2C1CCCC2)c1cc(c(F)cc1Cl)C	PC-id_81637674	331.651	BYPVXSYDBOHXAU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134125
BrC(C1C2C1CCCC2)Cc1c(Cl)cccc1F	PC-id_81637044	331.651	JGDJVHLAIWDCRC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134126
C[Si](C)O[Si](C)(CCC1CCC2C(C1)O2)O[Si](C)(C)C	PC-id_89718576	331.651	VUHOOVQCEJZHPB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-134127
[Si](O[Si](O[Si](C)C)(C)C)(CCC1CC2OC2CC1)(C)C	PC-id_21035629	331.651	JLMVSSWLFWCQLT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-134128
ClC(Cl)(Cl)C1C(CC2OC2C1)COCCCCOC	PC-id_59735525,SCHEMBL13935431	331.663	WKFGAGBVWOIHFZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-134129
Brc1c(n(nc1C)CC)CC1(CC2C(C2)C1)CCl	PC-id_80473228	331.679	LOSVZLKHPXSANP-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-134130
Brc1c(n(nc1CC)C)CC1(CC2C(C2)C1)CCl	PC-id_80473521	331.679	JGBGWDSDCQLVKO-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-134131
BrCC1(CC2C(C2)C1)Cc1n(nc(c1Cl)C)CC	PC-id_80473117	331.679	ZGBKIFQLKVGWFA-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-134132
BrCC1(CC2C(C2)C1)Cc1n(nc(c1Cl)CC)C	PC-id_80473327	331.679	SJZMHUCHCLWQAO-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-134133
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1)Cl)OC(F)F	MCULE-3241228607,EMOLS-id_320135201	331.742	XSKOWHRKTDFDHD-MEBBXXQBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134134
O=C(c1cc(Cl)c(cc1C)O)NC[C@]12OCCC[C@H]1C2(F)F	EMOLS-id_320329519,MCULE-1314254950	331.742	WTZBXYRHXVJVQW-OCCSQVGLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134135
CCc1ncc(c(n1)C(=O)NC[C@]12OCCC[C@H]1C2(F)F)Cl	EMOLS-id_319969837,MCULE-7324942354	331.746	YFRROVGMXRCJGO-RNCFNFMXSA-N	00100000000010100001010000000000000000000000000000000000	22-01-134136
OC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1ccc(o1)c1ccccc1Cl	MCULE-9627833159,EMOLS-id_318554378	331.75	OFAAAEQHFLRZQL-HBYGRHMLSA-N	00100010101000110000110000000000000000000000000000000000	22-01-134137
Clc1cc(S(=O)(=O)NC2C3C2CNC3)cc([N+](=O)[O-])c1C	PC-id_43597296	331.775	OOVUGVMCRGTEHU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134138
ClS(=O)(=O)c1cc(F)c(NC(=O)C2C3C2CCCC3)cc1	PC-id_81610788	331.79	PQOGVTJEWMRNOM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134139
ClS(=O)(=O)c1c(F)cc(NC(=O)C2C3C2CCCC3)cc1	PC-id_81610789	331.79	FGEURJZVXWNACJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134140
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1ccc(cc1F)Cl	EMOLS-id_112095368	331.79	XTLAGEZOKCBLDI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134141
CC1(C(C(=O)NC1C(C1CCCC2C1O2)O)CCCl)OC=O	PC-id_89053636	331.792	NNEGJHQOYOXKTJ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-134142
ClCC[C@H]1C(=O)N[C@@H]([C@@]1(C)OC=O)[C@H]([C@H]1CCCC2C1O2)O	SCHEMBL13283582	331.792	NNEGJHQOYOXKTJ-HAZHIUKVSA-N	00100010000010000000010000000000000000000000000000000000	22-01-134143
ClCC[C@H]1C(=O)N[C@@H]([C@@]1(C)OC=O)[C@H]([C@H]1CCCC2[C@@H]1O2)O	SCHEMBL13759390	331.792	NNEGJHQOYOXKTJ-YLBUDFMASA-N	00100010000010000000010000000000000000000000000000000000	22-01-134144
ClCC[C@H]1C(=O)N[C@@H]([C@@]1(C)OC=O)[C@H]([C@H]1CCC[C@@H]2[C@H]1O2)O	SCHEMBL13821785	331.792	NNEGJHQOYOXKTJ-DEJOPHEWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-134145
C[C@H](NC(=O)C1[C@@H]2CCC[C@@H]12)c1noc(c2ccc(Cl)cc2)n1	PC-id_100893540,ZINC22_230092829	331.797	CHSUYFNEWLTVKV-ZWKOPEQDSA-N	00100010100010110001110000000000000000000000000000000000	22-01-134146
C[C@H](NC(=O)C1[C@H]2CCC[C@H]12)c1noc(c2ccc(Cl)cc2)n1	PC-id_98217664,ZINC22_101499377	331.797	CHSUYFNEWLTVKV-XDTLVQLUSA-N	00100010100010110001110000000000000000000000000000000000	22-01-134147
C[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@@H]12)c1noc(c2ccc(Cl)cc2)n1	ZINC22_246392662	331.797	CHSUYFNEWLTVKV-OLRMPSLUSA-N	00100010100010110001110000000000000000000000000000000000	22-01-134148
C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@@H]12)c1noc(c2ccc(Cl)cc2)n1	ZINC22_246392675	331.797	CHSUYFNEWLTVKV-QQUHWDOBSA-N	00100010100010110001110000000000000000000000000000000000	22-01-134149
Clc1ccc(c2onc(n2)C(NC(=O)C2C3C2CCC3)C)cc1	MCULE-9579991734,PC-id_71923853,EMOLS-id_45660777	331.797	CHSUYFNEWLTVKV-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-134150
OC[C@]12C[C@H]1CCCN2C(=O)c1ccn(n1)c1ccccc1Cl	EMOLS-id_320113290,MCULE-7512982733	331.797	FSUVYWGBLCDDCO-SJKOYZFVSA-N	00100000100010110001110000000000000000000000000000000000	22-01-134151
OC[C@]12C[C@H]1CCCN2C(=O)c1cnn(c1)c1ccc(cc1)Cl	EMOLS-id_318897982	331.797	TVYBQVAZIUFZGC-CXAGYDPISA-N	00100000100010110001110000000000000000000000000000000000	22-01-134152
OC[C@]12C[C@H]1CCCN2C(=O)c1cnn(c1)c1ccccc1Cl	EMOLS-id_320004431,MCULE-2712167609	331.797	NAIYJQWFFNOYFZ-CXAGYDPISA-N	00100000100010110001110000000000000000000000000000000000	22-01-134153
OC[C@]12C[C@H]1CCCN2C(=O)c1ncn(c1)c1cccc(c1)Cl	EMOLS-id_319591738	331.797	RLEHOQCNGXTWHN-SJKOYZFVSA-N	00100000100010110001110000000000000000000000000000000000	22-01-134154
O=C(C1C2C1CCCC2)NCc1nnc(o1)c1ccc(cc1)Cl	MCULE-1298163426,EMOLS-id_50330166,PC-id_102554854	331.797	QOPPIQUBZCLYGI-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-134155
O=C(C1[C@@H]2[C@H]1CCC2)N[C@H](c1noc(n1)c1ccc(cc1)Cl)C	PC-id_97089634	331.797	CHSUYFNEWLTVKV-PRDYLTDRSA-N	00100010100010110001110000000000000000000000000000000000	22-01-134156
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CC(CN1CC2C(C1)C2)(CCN1CC2C(C1)C2CCC(C)(C)C)C	SCHEMBL18595928	332.566	VRUOYQFIWQPZDH-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-134610
[Si](O[Si]c1ccccc1)(CC(C1CC2OC2(CC1)C)C)(C)C	PC-id_59344057	332.585	QCPPMNFOVIDGHM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134611
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[Si](n1c(CN2C3(C(C3)CC2)C)ccc1)(C(C)C)(C(C)C)C(C)C	PC-id_73033341	332.599	OSENYOFSXJDFFJ-UHFFFAOYSA-N	00100010110000000000010000000000000000000000000000000000	22-01-134614
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[Si](O[Si](O[SiH](C)C)(C)C)(CCC1CC2OC2CC1)(C)C	PC-id_58651598	332.659	INVNWVUCYLCRMM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-134624
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O=C(N1[C@@H]2[C@@H](C2)C[C@H]1C#N)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C=C	PC-id_11267615	333.425	WFPMLZNPPWMQIC-ZOBORPQBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-134923
SCC(C(=O)O)NC(=O)C1C2CC2CN1C(=O)C(CS)N	SCHEMBL17352460,PC-id_72703393	333.427	UXMXZROXBQNKGO-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-134924
CC(C)n1cc(C(=O)N[C@@H](C)[C@H](C)NC(=O)[C@@]23CCC[C@@H]2C3)nn1	ZINC22_2325839086	333.429	ILEZHOZCEFETTI-APNQJHFZSA-N	00100010100010000001010000000000000000000000000000000000	22-01-134925
CC(C)n1cc(C(=O)N[C@H](C)[C@@H](C)NC(=O)[C@@]23CCC[C@@H]2C3)nn1	ZINC22_2325839087	333.429	ILEZHOZCEFETTI-HPTBWKMGSA-N	00100010100010000001010000000000000000000000000000000000	22-01-134926
CC(C)n1cc(C(=O)N[C@H](C)[C@H](C)NC(=O)[C@@]23CCC[C@@H]2C3)nn1	ZINC22_2325839088	333.429	ILEZHOZCEFETTI-IPJQOSJUSA-N	00100010100010000001010000000000000000000000000000000000	22-01-134927
CC(C)n1cc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)[C@@]23CCC[C@@H]2C3)nn1	ZINC22_2325839089	333.429	ILEZHOZCEFETTI-SFDCBXKLSA-N	00100010100010000001010000000000000000000000000000000000	22-01-134928
CN(C)C(=O)CCCn1ccc(NC(=O)N2C[C@H]3[C@H](C2)C3(C)C)n1	ZINC22_104171477,PC-id_98529014	333.429	YULXVFCJGSYWMM-STQMWFEESA-N	00100010100000000001010000000000000000000000000000000000	22-01-134929
CN(C)C(=O)CCCn1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)n1	ZINC22_104171483,PC-id_98529016	333.429	YULXVFCJGSYWMM-CHWSQXEVSA-N	00100010100000000001010000000000000000000000000000000000	22-01-134930
CN(C)C(=O)CCCn1ccc(NC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)n1	ZINC22_95403981,PC-id_97218578	333.429	YULXVFCJGSYWMM-BETUJISGSA-N	00100010100000000001010000000000000000000000000000000000	22-01-134931
COCc1[nH]nc(n1)C1CCCCN1C(=O)NC1CCCC2C1C2	EMOLS-id_318152617	333.429	SDWTYEPDCVYGQL-UHFFFAOYSA-N	00100000100010000001110000000000000000000000000000000000	22-01-134932
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1csc(n1)c1cccs1	EMOLS-id_319756329	333.429	ZBKIVOMYQHBENO-PSLIRLAXSA-N	00100000100110000001110000000000000000000000000000000000	22-01-134933
O=C(N1CC2C(C1)C2(C)C)Nc1ccn(n1)CCN1CCOCC1	EMOLS-id_101118780	333.429	RDPOIIUTQIREHB-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-134934
O=C(N1CC2C(C2C1)(C)C)Nc1nn(cc1)CCCC(=O)N(C)C	MCULE-9906563852,EMOLS-id_49063640,PC-id_84584999	333.429	YULXVFCJGSYWMM-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-134935
CCC(=Nc1c(C)cccc1C)SCC1=C(F)C2C(C=C1F)C2	PC-id_145617886	333.439	JRKINYLZZNULNG-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-134936
C1CN(CCC2C1C2)CCc1cc(c(cc1)N)C(=O)NCCCF	PC-id_89026138	333.444	QHFHMHKAMVFJSK-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-134937
FCCCNC(=O)c1cc(CCN2CC[C@@H]3[C@H](CC2)C3)ccc1N	SCHEMBL13163120	333.444	QHFHMHKAMVFJSK-IYBDPMFKSA-N	00100000000000110100010000000000000000000000000000000000	22-01-134938
CSc1ccc(cc1)C(NC(=O)C1C2C1CCCC2)CC(=O)O	PC-id_120204172	333.445	BGOITJOSQMWYBP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134939
O=C(c1ccc(cc1)S(=O)(=O)C1CCC1)N1CC2C(C1)C2(C)C	EMOLS-id_101767669	333.445	XJGFGVVAODODFX-UHFFFAOYSA-N	00101010000000110000010000000000000000000000000000000000	22-01-134940
OC(=O)CCSCc1cccc(c1)NC(=O)C1C2C1CCCC2	PC-id_119241268	333.445	FKEBPTUYEGRMEF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134941
O=S(=O)(C1C2C1CCCC2)N1CCC2(C1)OCc1c2cccc1	EMOLS-id_320053893,MCULE-9435825069	333.445	LYDXUJQDASMARR-UHFFFAOYSA-N	00100010000010100000010000000000000000000000000000000000	22-01-134942
C=C1CCN(c2cccc(S(=O)(=O)N3CCC[C@@H]4C[C@H]34)n2)CC1	ZINC22_1615046281	333.448	PJYSOLYAGUIEAY-CABCVRRESA-N	00100000000010101000110000000000000000000000000000000000	22-01-134943
C=C1CCN(c2cccc(S(=O)(=O)N3CCC[C@H]4C[C@H]34)n2)CC1	ZINC22_1615046314	333.448	PJYSOLYAGUIEAY-GJZGRUSLSA-N	00100000000010101000110000000000000000000000000000000000	22-01-134944
C=C1CCN(c2cccc(S(=O)(=O)N3CCC[C@@H]4C[C@@H]34)n2)CC1	ZINC22_1615046315	333.448	PJYSOLYAGUIEAY-HUUCEWRRSA-N	00100000000010101000110000000000000000000000000000000000	22-01-134945
C=C1CCN(c2cccc(S(=O)(=O)N3CCC[C@H]4C[C@@H]34)n2)CC1	ZINC22_1615046316	333.448	PJYSOLYAGUIEAY-LSDHHAIUSA-N	00100000000010101000110000000000000000000000000000000000	22-01-134946
C=C1CCN(CC1)c1cccc(n1)S(=O)(=O)N1CCCC2C1C2	MCULE-2470912805,PC-id_145879105,EMOLS-id_317054243	333.448	PJYSOLYAGUIEAY-UHFFFAOYSA-N	00100000000010101000110000000000000000000000000000000000	22-01-134947
N#CC(CS(=O)(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)(C)C	MCULE-7539149972,EMOLS-id_319988369	333.448	FAEOXURKMPIIQH-ZSHCYNCHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134948
O=C(N1CCC(CC1)NC(=O)c1cscc1)NC1CC2C(C1)C2	EMOLS-id_102212665	333.448	ZHKOPRNOCADNGP-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-134949
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)c1csc(n1)C1CCCCC1	EMOLS-id_319616808	333.448	UVCSLQQXCVHOGD-PXAZEXFGSA-N	00100000100010000001110000000000000000000000000000000000	22-01-134950
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1sc(nc1C)C1CCC1	EMOLS-id_319673177	333.448	VSHPUGBNMOUXPT-PXAZEXFGSA-N	00101000100010000001110000000000000000000000000000000000	22-01-134951
O=C(N1CCCN(CC1)C(=O)c1ccsc1)NC1CC2C(C1)C2	EMOLS-id_102212506	333.448	QXDLXFKUMNMBIX-UHFFFAOYSA-N	00100010100110000101010000000000000000000000000000000000	22-01-134952
O=C(N1CCN(CC1)C(=O)c1ccc(s1)C)NC1CC2C(C1)C2	EMOLS-id_102212668	333.448	RKLIDOWETWEDDS-UHFFFAOYSA-N	00100010100110000001010000000000000000000000000000000000	22-01-134953
[C@H]12CN(C[C@H]1[C@@H]2CN(C)C)Cc1ccc(o1)Sc1nncn1C	MCULE-2539661866,EMOLS-id_43142446,ZINC22_102643532	333.452	RCBTXIICBSEJNH-ZSOGYDGISA-N	00100010101000000001010000000000000000000000000000000000	22-01-134954
S(c1oc(CN2CC3C(C3CN(C)C)C2)cc1)c1n(cnn1)C	PC-id_76437152	333.452	RCBTXIICBSEJNH-UHFFFAOYSA-N	00100010101000000001010000000000000000000000000000000000	22-01-134955
S(c1oc(CN2C[C@H]3[C@H](C3CN(C)C)C2)cc1)c1n(cnn1)C	PC-id_56904259	333.452	RCBTXIICBSEJNH-AGUYFDCRSA-N	00100010101000000001010000000000000000000000000000000000	22-01-134956
CCCCCCCC(=O)NCCCCCC(=O)C12C=CC=CC1O2	PC-id_140976664	333.465	LDIITUUWMFGGKI-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-134957
CC(COC(=O)C1CCCCN1C(=O)C(=C)C12CCCCC1C2)C	PC-id_143496452	333.465	FDOZXGTXZWBDHT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-134958
CCOC1(C)[C@H]2[C@@H]1CN(C2C(=O)C)C(=O)[C@H](C1CCCCC1)C=C	PC-id_143357521	333.465	CKCHAQCSCPZJRY-YHQGITSZSA-N	00100010000010000000010000000000000000000000000000000000	22-01-134959
O=NC1/C(=CC2C(C2(C)C)CC/C(=CCC(/C(=CC1O)/C)O)/C)/C	SCHEMBL17901807,PC-id_121463197	333.465	CVPMUQYNXDKDGT-FGPINKIPSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134960
C=CCN(S(=O)(=O)C1C2C1CCCC2)C1CCS(=O)(=O)C1	EMOLS-id_319560085	333.467	BKNLZHZIXMEWQE-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-134961
CC1CC(CC(C1)O)CC(C)C(C(=O)N1C(CC2C1C2C)C#N)N	PC-id_90813984	333.468	FCKLHHNPMCSCTL-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-134962
CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102212476	333.468	UWEYLWGVGXPNRF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-134963
CC(C)c1cc(C(=O)NCC2C3CN(CCC(C)(C)C)CC23)on1	CHEMBL4590322	333.468	DAMWDHKUKKYJOM-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-134964
CCC(CC(C(=O)C(=O)N)NC(=C)C1[C@@H]2[C@@H](C2C)CN1C(=C)C)C	PC-id_143352156	333.468	BQDRJWBQNURPMD-VFSBLUDZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-134965
CCn1c(C)cc(c1C)CNC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_113934601	333.468	WEPMWNUICVHMJI-UHFFFAOYSA-N	00100010110000000000010000000000000000000000000000000000	22-01-134966
O=C(C1C2C1CCCC2)N1CCCC(C1)CNC(=O)C1CCCN1	PC-id_120031047	333.468	FOYWDFGDPJYZDT-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-134967
O=C(CN1CCN(CC1)C(=O)C1C2C1CCC2)NC1CCCCC1	EMOLS-id_111624768	333.468	WMZBLNAXOKHVQO-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-134968
O=C(N1CC2C(C1)C2(C)C)NC1CCCN(C1=O)C1CCCCC1	EMOLS-id_101063296	333.468	CAXTWBBJCZOETQ-UHFFFAOYSA-N	00100010000010000000110000000000000000000000000000000000	22-01-134969
O=C(N1CCCC(C1)C(=O)N1CC2C(C1)C2(C)C)NC1CCCC1	EMOLS-id_99934174	333.468	RHQDJSLFFIBUKN-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-134970
O=C(N1CCN(CC1)C(=O)NC1CC2C(C1)C2)CC1CCCCC1	EMOLS-id_102212629	333.468	ILQRYMHMTAYWER-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-134971
O=C(N1CCN(CC1)C(=O)NC1CC2C(C1)C2)CCC1CCCC1	EMOLS-id_102213799	333.468	KWKNARXYLXIUFP-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-134972
O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)C1C2C1CCC2	EMOLS-id_100389271	333.468	MJCDPNAGAKLUOF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-134973
Cn1nc(nc1C(C12C=CC=CC1C2)(C)C)C(c1ccccc1)(C)C	PC-id_142355752	333.47	FYJSZHXEYPZWJC-UHFFFAOYSA-N	00100000100011110001010000000000000000000000000000000000	22-01-134974
O=C(NC1CC2C(C1)C2)NCCS(=O)(=O)N1CCSCC1	EMOLS-id_102186483	333.47	FPCLGLRTDUASTC-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-134975
COc1cc(F)c(cc1C(C1C2C1CCC2)Cl)Br	PC-id_113811244	333.624	FGBWNOAXXBHNOI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-134998
CN1CCN(CC1)Cc1ccc(s1)C(=O)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_318910568	333.491	KOXIQQUJSVEXGH-YISXUXMPSA-N	00100000100110000001010000000000000000000000000000000000	22-01-134976
CN1CCN(CC1)Cc1ccc(s1)C(=O)NC[C@@]12CCC[C@@H]1C2	EMOLS-id_319047037	333.491	NJIBTBUOVOFNMK-KDOFPFPSSA-N	00100010100110000001010000000000000000000000000000000000	22-01-134977
CN(C)CCSc1ccc(NC(=O)N2C[C@H]3[C@H](C2)C3(C)C)cc1	PC-id_98528964,ZINC22_104171247	333.491	YTYZVMLBUZLTFO-HOTGVXAUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134978
CN(C)CCSc1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)cc1	PC-id_98528966,ZINC22_104171253	333.491	YTYZVMLBUZLTFO-HZPDHXFCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134979
CN(C)CCSc1ccc(NC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)cc1	ZINC22_95403938,PC-id_97218548	333.491	YTYZVMLBUZLTFO-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134980
CN(CCSc1ccc(cc1)NC(=O)N1CC2C(C1)C2(C)C)C	MCULE-8592751800,PC-id_84584973,EMOLS-id_49063454	333.491	YTYZVMLBUZLTFO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134981
C[Si](C)(C)OC12CCC(CC1C2)NC(=O)OCc1ccccc1	PC-id_134875097	333.497	ILMPVGOYMUBZQA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-134982
OC[C@H]1C[C@H]([C@H]2[C@H]1[C@H]2[Si](C)(C)C)NC(=O)OCc1ccccc1	PC-id_101208447	333.497	JWKRPLCVHBPOCZ-UHDSXZAQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-134983
OC[C@@H]1C[C@@H]([C@@H]2[C@@H]1[C@@H]2[Si](C)(C)C)NC(=O)OCc1ccccc1	PC-id_101208448	333.497	JWKRPLCVHBPOCZ-SIRPWMCASA-N	00100010000010110000010000000000000000000000000000000000	22-01-134984
CCCCCCCCCCNC(=O)OCC1C2C1CCC#CCC2	PC-id_140872998	333.508	SGTXVHJGSHVTKN-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134985
CCCCCCCCCCNC(=O)OCC1C2[C@@H]1CCC#CCC2	PC-id_134519882,SCHEMBL20164059	333.508	SGTXVHJGSHVTKN-HDYDNRTBSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134986
CCCCCCCCCCNC(=O)OCC1[C@H]2[C@@H]1CCC#CCC2	PC-id_134530827	333.508	SGTXVHJGSHVTKN-YOFSQIOKSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134987
CCCCCCCCCCNC(=O)OC[C@@H]1[C@H]2[C@@H]1CCC#CCC2	SCHEMBL20176266	333.508	SGTXVHJGSHVTKN-ACDBMABISA-N	00100000000000000110010000000000000000000000000000000000	22-01-134988
[Si](C(COC1C(C2OC2C1)COCc1ccccc1)(C)C)(C)C	PC-id_22177668	333.517	ZXCJTRKZRGWGAK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134989
OC12CC1CN([C@H]2CO[Si](C(C)(C)C)(C)C)Cc1ccccc1	PC-id_102518755	333.54	PUWGRHOMEMZVGO-HFCFLWKCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134990
[Si](OCC1N(CC2C1(O)C2)Cc1ccccc1)(C(C)(C)C)(C)C	PC-id_85358269	333.54	PUWGRHOMEMZVGO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134991
[Si](OC[C@H]1N(CC2C1(O)C2)Cc1ccccc1)(C(C)(C)C)(C)C	PC-id_10991233	333.54	PUWGRHOMEMZVGO-TVRKMHQQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134992
CC1CC2(CC2=CN1CC1CCC(CC1)CCC(C)(C)N)CNC	SCHEMBL20621179,PC-id_137390454	333.554	FHWOAYUZFLHSSO-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-134993
CC(C12CNCC(CC1(C2)C)(C)C)C1CCCC(CC1)C(C)(C)C	SCHEMBL20960715,PC-id_138599485	333.594	SBWQWQUVHGXAQQ-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-134994
CCC1C2C1[C@](/C=C(/CCCCCCCCC2)C(C)NC)(C)CC	PC-id_134223582	333.594	PGSSNGNVTFLZRA-WXNZOSNLSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134995
CCC1C2C1[C@](C)(CC)C=C(CCCCCCCCC2)[C@H](NC)C	SCHEMBL19830576	333.594	PGSSNGNVTFLZRA-IQTPXCQVSA-N	00100000000000000110010000000000000000000000000000000000	22-01-134996
Ic1ccc(cc1CN1CC2C(C1)C2)Cl	MCULE-8907956372	333.596	NIRQXLBURNNIKU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-134997
COc1cc(F)c(cc1C(C1CC2C(C1)C2)Cl)Br	PC-id_113811236	333.624	JJBKMBRZRKBLCF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-134999
OC(c1ccc(c(c1F)Cl)Br)C1C2C1CCCC2	PC-id_113875008	333.624	UEYPHJAVTTVVFW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135000
OC(c1cc(Cl)c(cc1F)Br)C1C2C1CCCC2	PC-id_105399551	333.624	QOEJOOJVDWKKNA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135001
NNC(c1ccc(c(c1F)Cl)Br)C1C2C1CCC2	PC-id_106765537	333.627	IMKGTJHAGIZOEL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135002
NNC(c1ccc(c(c1F)Cl)Br)C1CC2C(C1)C2	PC-id_106765466	333.627	LFMKENKWJWGAII-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135003
ClC(C1C2C1CCCC2)c1c(Cl)cc(OCC)c(Cl)c1	PC-id_81835092	333.68	BVTIHLWUBVJLQB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135004
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1)C(F)(F)F)Cl	EMOLS-id_318908186	333.733	OKOBOAXVZOWQNC-QMTHXVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135005
OC[C@]12C[C@H]1CCCN2C(=O)c1cc(ccc1Cl)C(F)(F)F	EMOLS-id_318966387	333.733	MBTUKGHDUSVROB-QMTHXVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135006
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1Cl)C(F)(F)F	EMOLS-id_319355528	333.733	XQJWKJUQOXKPNM-QMTHXVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135007
O=C(N1CC2C(C1)C2(C)C)Nc1ccc(c(n1)C(F)(F)F)Cl	EMOLS-id_319127753	333.737	MFNZLDTWAVJHGK-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-135008
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CC1(C)OC[C@@H]2C[C@]12NC(=O)c1ccc(n2cnnn2)cc1Cl	ZINC22_529785411	333.773	MYBXBRXAQTYZJE-BJOHPYRUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-135010
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C=N/C(=CSCC1C2C1CNC2)/C(=O)NCc1ncccc1F	SCHEMBL18792373	334.412	PHKNRXHLROQNSZ-DHDCSXOGSA-N	00100010000000101000010000000000000000000000000000000000	22-01-135268
CN([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1ccccc1C(=O)c1ccccc1)C	EMOLS-id_172347705,MCULE-5156000695	334.412	QKWDQIAVBFFCAX-BWTSREIZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135269
CSCCC(C(=O)NC1(CSC2C1C2C(=O)O)C(=O)O)N	PC-id_90165026	334.412	YCKNMRXAPDOMDV-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135270
CSCC[C@@H](C(=O)N[C@]1(CS[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)O)N	SCHEMBL15727054	334.412	YCKNMRXAPDOMDV-CAMHOICYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135271
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(cc1c1cccc(c1)C)C	PC-id_68442996,SCHEMBL2924872	334.412	XVHPCOXQYIDJDG-LZQZEXGQSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135272
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cccc(c1c1ccc(cc1)C)C	PC-id_68445390,SCHEMBL2930954	334.412	SVZDHQQXRHTJDQ-SUMDDJOVSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135273
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(cc1c1ccc(cc1)C)C	SCHEMBL2924235,PC-id_68442744	334.412	ONBDRZHAAVGCCZ-LZQZEXGQSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135274
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1c1ccc(c(c1)C)C	SCHEMBL2931084,PC-id_68445448	334.412	MFHKFHHSYYTZJB-LZQZEXGQSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135275
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccccc1c1ccc(c(c1)C)C	SCHEMBL3412528,PC-id_68632747	334.412	MFHKFHHSYYTZJB-SNRMKQJTSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135276
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cc(C)ccc1c1cccc(c1)C	PC-id_68444958,SCHEMBL2929940	334.412	QFOWYBKHPXVJDM-SUMDDJOVSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135277
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cc(C)ccc1c1ccc(cc1)C	SCHEMBL2927512,PC-id_68444036	334.412	NSPSDVGEDSVJFX-SUMDDJOVSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135278
O=C(c1ccc(cc1)c1ccccc1)NNC(=O)C1[C@@H]2[C@@H]1CCCC2	PC-id_92200361	334.412	PXJBRJQCKAPPJL-ROUUACIJSA-N	00100000000010110000110000000000000000000000000000000000	22-01-135279
O=C(c1ccc(cc1)c1ccccc1)NNC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_36101	334.412	PXJBRJQCKAPPJL-REPLKXPHSA-N	00100000000010110000110000000000000000000000000000000000	22-01-135280
O=C(c1ccc(cc1)c1ccccc1)NNC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2	CoCoCo_36102	334.412	PXJBRJQCKAPPJL-BWTSREIZSA-N	00100000000010110000110000000000000000000000000000000000	22-01-135281
O=C(N1c2c1cccc2)CCCCCCCC(=O)N1c2c1cccc2	PC-id_141803222	334.412	HVZWGPPICLFXJF-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-135282
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1ccc(cc1)c1ccccc1	EMOLS-id_319636407	334.412	QWFKEMDQILZXKZ-NQIIRXRSSA-N	00100000000010110000110000000000000000000000000000000000	22-01-135283
O=C(N)C1N(CC2C1C2)C(=O)c1c(c2cc(c(cc2)C)C)cccc1	PC-id_76542740	334.412	MFHKFHHSYYTZJB-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135284
O=C(N)C1N(CC2C1C2)C(=O)c1c(cc(cc1)C)c1cc(ccc1)C	PC-id_76542703	334.412	XVHPCOXQYIDJDG-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135285
O=C(N)C1N(CC2C1C2)C(=O)c1c(cc(cc1)C)c1ccc(cc1)C	PC-id_76542708	334.412	ONBDRZHAAVGCCZ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135286
O=C(N)C1N(CC2C1C2)C(=O)c1c(ccc(c1)C)c1ccc(cc1)C	PC-id_77501104	334.412	NSPSDVGEDSVJFX-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135287
O=C(N)C1N(CC2C1C2)C(=O)c1c(ccc(c1)C)c1cc(ccc1)C	PC-id_77501231	334.412	QFOWYBKHPXVJDM-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135288
O=C(N)C1N(CC2C1C2)C(=O)c1c(c(ccc1)C)c1ccc(cc1)C	PC-id_77501306	334.412	SVZDHQQXRHTJDQ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135289
O=C(N)[C@@H]1N(C[C@H]2[C@@H]1C2)C(=O)c1c(c2cc(c(cc2)C)C)cccc1	PC-id_57489368	334.412	MFHKFHHSYYTZJB-ZYSHUDEJSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135290
O=C(N)[C@@H]1N(C[C@H]2[C@@H]1C2)C(=O)c1c(cc(cc1)C)c1cc(ccc1)C	PC-id_57489295	334.412	XVHPCOXQYIDJDG-ZYSHUDEJSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135291
O=C(N)[C@@H]1N(C[C@H]2[C@@H]1C2)C(=O)c1c(cc(cc1)C)c1ccc(cc1)C	PC-id_57489300	334.412	ONBDRZHAAVGCCZ-ZYSHUDEJSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135292
O=C(N[C@H](C(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1)c1ccccc1	ZINC22_619348100	334.412	MGMSEWQVGILTSM-FHWLQOOXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135293
O=C(N[C@H](C(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1)c1ccccc1	ZINC22_619348103	334.412	MGMSEWQVGILTSM-OTWHNJEPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135294
O=C(N[C@H](C(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1)c1ccccc1	ZINC22_619348104	334.412	MGMSEWQVGILTSM-QRVBRYPASA-N	00100000000010110000010000000000000000000000000000000000	22-01-135295
O=C(N[C@H](C(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1)c1ccccc1	ZINC22_619348105	334.412	MGMSEWQVGILTSM-QYZOEREBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135296
O=C(N[C@H](C(=O)NC1C[C@H]2C[C@@H]2C1)c1ccccc1)c1ccccc1	ZINC22_563016375	334.412	ASTFMLQHZQZILX-LMMKCTJWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135297
O=C(N[C@H](C(=O)NC1C[C@@H]2C[C@H]2C1)c1ccccc1)c1ccccc1	ZINC22_563016376	334.412	ASTFMLQHZQZILX-LNLFQRSKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135298
O=C(N[C@@H](C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1)c1ccccc1	ZINC22_563016374	334.412	ASTFMLQHZQZILX-FCGDIQPGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135299
O=C(N[C@H](C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1)c1ccccc1	ZINC22_563016378	334.412	ASTFMLQHZQZILX-RDGPPVDQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135300
O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)C1C2C1CCCC2	PC-id_45109240	334.412	YGOHJICCORHZCJ-HYARGMPZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135301
O=C(NN=Cc1ccc(Oc2ccccc2)cc1)C1C2C1CCCC2	PC-id_6735373	334.412	YGOHJICCORHZCJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135302
O=C(NNC(=O)c1ccc(cc1)c1ccccc1)C1[C@@H]2[C@H]1CCCC2	PC-id_828330	334.412	PXJBRJQCKAPPJL-DFNIBXOVSA-N	00100000000010110000110000000000000000000000000000000000	22-01-135303
CC(C)CCOc1nnc(cc1)NC(=O)NC12CC1COC2(C)C	PC-id_136555126	334.413	TXFKIGHOBQJUNE-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-135304
CC(C)n1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1	MCULE-6128041577,ZINC22_295462788,EMOLS-id_172338332	334.413	SFTRLTPRTNOHCT-IMRBUKKESA-N	00100010100000000001010000000000000000000000000000000000	22-01-135305
N#CC1[C@@H]2[C@H]1CN(C2)C(=O)CN1CCN(CC1)C(=O)OC(C)(C)C	PC-id_142987359	334.413	ZWXNSZCZTDBWHT-AGUYFDCRSA-N	00100010000010000001010000000000000000000000000000000000	22-01-135306
OCc1nnc(n1C)C1CCCN(C1)C(=O)C12CC1COC2(C)C	EMOLS-id_319241789	334.413	XGKDDLRGSDCBEX-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-135307
OCc1nnn(c1)CC1OCCN(C1)C(=O)C1CC[C@@H]2[C@H](CC1)C2	EMOLS-id_319836565,MCULE-1427087021	334.413	KTJZJELNECFHQB-MHXRYWECSA-N	00100000100010000101010000000000000000000000000000000000	22-01-135308
O=C(N1C[C@@H]2[C@H](C1)C2NC(=O)c1ccn(n1)C(C)C)OC(C)(C)C	PC-id_122151786	334.413	SFTRLTPRTNOHCT-ONXXMXGDSA-N	00100010100000000001010000000000000000000000000000000000	22-01-135309
OC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1sc(nc1C)c1cccs1	EMOLS-id_318745047,MCULE-4368585553	334.413	QCPVLCHFCSJQPV-JZYVYDRUSA-N	00100010100100000001110000000000000000000000000000000000	22-01-135310
N=CN(C(=N)c1cccc(c1)NC(=O)/C=C/CC12C=CC=CC1C2)C	PC-id_144122705	334.415	CZPRGDIAOZGBRZ-QAMFXKSBSA-N	00100000000011110000010000000000000000000000000000000000	22-01-135311
O=C(c1cncnc1C1CC1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319618845	334.415	HVAGNENUMRUCRO-DZFIZOCASA-N	00100010000000110001110000000000000000000000000000000000	22-01-135312
CCC(c1ccc(cc1)F)NC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_113934580	334.428	VXQPNKIOUOVUAC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135313
CC(Cc1cccc(c1)F)NC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_113934607	334.428	RMSHXIPUAYEDNA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135314
Cc1c2c(c(cc1)S(=O)(=O)OCCCCC=CCC=CC=C)O2	PC-id_88426733,SCHEMBL9196266	334.43	VWAARQYMKFEHDV-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-135315
C1CCC(C1)NC(=O)C12CC1CCN2S(=O)(=O)c1ccccc1	MCULE-5642773299,EMOLS-id_49984286,PC-id_86809299	334.433	HYTYMDVOMHXDPS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135316
Cc1csc([C@@H]2[C@@H](C(=O)N3CC[C@@H]4[C@H](C(=O)O)[C@@H]4C3)C2(C)C)n1	ZINC22_2325791781	334.433	WLZGSMOSIZRHTP-PPCPHDFISA-N	00100000100010000001110000000000000000000000000000000000	22-01-135317
Cc1nc(C2CCCC2)sc1C(=O)N[C@@H]1CC[C@H]2C[C@@]12C(=O)O	ZINC22_1875311271	334.433	SCXFOXGZSASEGV-JKDFXYPNSA-N	00100010100010000001110000000000000000000000000000000000	22-01-135318
Cc1nc(C2CCCC2)sc1C(=O)N[C@@H]1CC[C@@H]2C[C@]12C(=O)O	ZINC22_1875311272	334.433	SCXFOXGZSASEGV-PSTGCABASA-N	00100010100010000001110000000000000000000000000000000000	22-01-135319
Cc1nc(C2CCCC2)sc1C(=O)N[C@@H]1CC[C@@H]2C[C@@]12C(=O)O	ZINC22_1875311273	334.433	SCXFOXGZSASEGV-QFSBIZTOSA-N	00100010100010000001110000000000000000000000000000000000	22-01-135320
Cc1nc(C2CCCC2)sc1C(=O)N[C@@H]1CC[C@H]2C[C@]12C(=O)O	ZINC22_1875311274	334.433	SCXFOXGZSASEGV-XWCIJXRUSA-N	00100010100010000001110000000000000000000000000000000000	22-01-135321
CC(=O)Nc1nc(cs1)C(=CC1C2C1CCCCC2)C(=O)OC	PC-id_88523738	334.433	DAGICUSAHVUKQM-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-135322
CCSCC(=O)N1CCC2CC12C(=O)Nc1ccc(OC)cc1	EMOLS-id_324087606	334.433	HTKUQFFLLDQBNX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135323
CCSCC(=O)N1CC[C@@H]2C[C@]12C(=O)Nc1ccc(OC)cc1	ZINC22_2056224943	334.433	HTKUQFFLLDQBNX-PXAZEXFGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135324
CCSCC(=O)N1CC[C@H]2C[C@]12C(=O)Nc1ccc(OC)cc1	ZINC22_2056224944	334.433	HTKUQFFLLDQBNX-SJCJKPOMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135325
CCSCC(=O)N1CC[C@@H]2C[C@@]12C(=O)Nc1ccc(OC)cc1	ZINC22_2056224945	334.433	HTKUQFFLLDQBNX-SJKOYZFVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135326
CCSCC(=O)N1CC[C@H]2C[C@@]12C(=O)Nc1ccc(OC)cc1	ZINC22_2056224946	334.433	HTKUQFFLLDQBNX-YVEFUNNKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135327
CN1C(=O)CN(C1c1ccccc1)S(=O)(=O)C1C2C1CCCC2	MCULE-2487374824,EMOLS-id_320287342	334.433	AEQPFJZXYOTSTH-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-135328
COC(NC(=O)c1cccc2c1S2=O)CC1CCCN1C1CC1	PC-id_140346278	334.433	HEURCJHRDMHUNL-UHFFFAOYSA-N	00100010000000100000110000000000000000000000000000000000	22-01-135329
COC(=O)/C(=C/C1C2C1CCCCC2)/c1csc(n1)NC(=O)C	SCHEMBL9843441	334.433	DAGICUSAHVUKQM-RIYZIHGNSA-N	00100000100000000101010000000000000000000000000000000000	22-01-135330
O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111182779	334.433	FPJSGGAVALLHCM-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135331
O=C1CCCN1c1ccc(cc1)S(=O)(=O)NC1C2C1CCCC2	EMOLS-id_30432245,PC-id_16676385,SYN-18343937,MCULE-8128272464	334.433	JNMSSWGLJRSNOL-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-135332
O=C1CCCN1c1ccc(cc1)S(=O)(=O)N[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_488699	334.433	JNMSSWGLJRSNOL-SCAQPMJSSA-N	00100010000010110000110000000000000000000000000000000000	22-01-135333
O=C1CCCN1c1ccc(S(=O)(=O)NC2[C@H]3CCCC[C@@H]23)cc1	PC-id_51500272,ZINC22_12241772	334.433	JNMSSWGLJRSNOL-FKEKPDDDSA-N	00100010000010110000110000000000000000000000000000000000	22-01-135334
O=C1CCCN1c1ccc(S(=O)(=O)NC2[C@H]3CCCC[C@H]23)cc1	PC-id_98137663,ZINC22_100768749	334.433	JNMSSWGLJRSNOL-GJZGRUSLSA-N	00100010000010110000110000000000000000000000000000000000	22-01-135335
O=C1CCCN1c1ccc(S(=O)(=O)NC2[C@@H]3CCCC[C@@H]23)cc1	PC-id_98137665,ZINC22_100768753	334.433	JNMSSWGLJRSNOL-HUUCEWRRSA-N	00100010000010110000110000000000000000000000000000000000	22-01-135336
O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCCC[C@@H]23)cc1	ZINC22_247855404,CoCoCo_488698	334.433	JNMSSWGLJRSNOL-QLPKVWCKSA-N	00100010000010110000110000000000000000000000000000000000	22-01-135337
O=C1NCC(N(C1)S(=O)(=O)C1C2C1CCCC2)c1ccccc1	EMOLS-id_319435173	334.433	ZDSSISMZHCDWRE-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-135338
O=C(C1C2C1CCC2)N1CCN(CC1)S(=O)(=O)c1ccccc1	EMOLS-id_111570132	334.433	XQWIWWPLSUFGRQ-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-135339
O=C(C1C2C1CCC2)NCc1cccc(c1)N1CCCS1(=O)=O	EMOLS-id_99725779	334.433	STITYJMZLSWCJW-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-135340
O=C(C1CCCC2C1C2)Nc1cccc(c1)NS(=O)(=O)C1CC1	EMOLS-id_318991667	334.433	ZPLUGHJGRLNDSF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135341
O=C(c1ccc(cc1C)N1CCCS1(=O)=O)NC1CC2C(C1)C2	EMOLS-id_102237633	334.433	CLPVGZXRYPCMFR-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-135342
O=C(c1ccc(cc1)N1CCCS1(=O)=O)N1CC2C(C1)C2(C)C	EMOLS-id_111161606	334.433	JBFZVUVFFWTTNR-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-135343
O=C(c1cccc(c1)N1CCCS1(=O)=O)N1CC2C(C1)C2(C)C	EMOLS-id_111161684	334.433	ACQQBNJIANPTDM-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-135344
O=C(c1cccc(c1)NS(=O)(=O)C1CC1)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_319260600	334.433	SFJHWEMGGBDSOG-LKCRCUOOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135345
O=C(c1cccc(c1)NS(=O)(=O)C1CC1)NC[C@@]12CCC[C@@H]1C2	EMOLS-id_319875421	334.433	JDMXIWUIESDWIW-DYVFJYSZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135346
O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)NC1CC2C(C1)C2	EMOLS-id_102226723	334.433	JXMVVCIRYQOPLC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135347
O=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CC2C(C1)C2	MCULE-9826616490,EMOLS-id_177295286	334.433	MBWNEQANBLFGQP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135348
O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1C[C@@H]2C[C@H]2C1	ZINC22_585124046	334.433	MBWNEQANBLFGQP-DZKIICNBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135349
O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1C[C@H]2C[C@@H]2C1	ZINC22_585124047	334.433	MBWNEQANBLFGQP-FMKPAKJESA-N	00100010000010110000010000000000000000000000000000000000	22-01-135350
O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1C[C@H]2C[C@H]2C1	ZINC22_585124048	334.433	MBWNEQANBLFGQP-IJEWVQPXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135351
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CCCCCCCCCCCCCC(=C1C2C1CCCC2)OCC	PC-id_102278180	334.579	JDSMXDSFJILTPT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-135530
S(SCC1=CCC2C(C2C1)(C)C)CC1=CCC2C(C2C1)(C)C	PC-id_71341902	334.582	CZPXUHZPBMOMDF-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-135531
CC(C1CCC2(C(C1)O2)C)C[Si](O[SiH2]c1ccccc1)(C)C	SCHEMBL13297544	334.601	BEXDDRIKRLEPBY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135532
C12C(C1)CCC(C2)CCC(C(C(C)C)(CCCCCCCC)C)C	PC-id_58195599	334.622	DJGBRFILDRZRBE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-135533
CC1CC2CC2CCCCCC1(C)CC(C)CCC(C)CC(C)C	PC-id_91063114	334.622	KEICNSYQPCGPOV-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-135534
ClC(Cl)(Cl)C(=O)c1n(cc(C(=O)C2C3C2CCC3)c1)C	PC-id_81624400	334.625	YJLOETYUCPCOEN-UHFFFAOYSA-N	00100010110010000000010000000000000000000000000000000000	22-01-135535
ClC(Cl)(Cl)C(=O)c1n(cc(C(=O)C2CC3C(C3)C2)c1)C	PC-id_81628409	334.625	LHKQFRGKHFGEIF-UHFFFAOYSA-N	00100010110010000000010000000000000000000000000000000000	22-01-135536
Brc1sc(C(NC)C2C3C2CCCC3)cc1Cl	PC-id_81630844	334.703	NMVQPGDTCPNNKZ-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-135537
Brc1sc(C(NCC)C2C3C2CCC3)cc1Cl	PC-id_81631051	334.703	NWZTYJVQUJMFBF-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-135538
Brc1sc(C(NCC)C2CC3C(C3)C2)cc1Cl	PC-id_80531333	334.703	OMBZNZMMGJRKOK-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-135539
CCNC(C1C2C1CCC2)c1cc(c(s1)Cl)Br	PC-id_102828655	334.703	HMOFPFJFMNVAET-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-135540
CCNC(c1cc(c(s1)Cl)Br)C1CC2C(C1)C2	PC-id_113741925	334.703	QEWCGEDQWIBGAR-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-135541
CNC(C1C2C1CCCC2)c1cc(c(s1)Cl)Br	PC-id_102828328	334.703	PIQJJCQNIPXHMZ-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-135542
C1CC2C(C2(F)F)CC1COc1c(cc(c(c1)F)C(=O)O)Cl	SCHEMBL15537384,PC-id_90016827	334.718	MGGXYIMCZIJIMZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135543
CC(C)C(C(=O)NC1(CC(C2C1C2C(=O)O)O)C(=O)O)NCl	PC-id_88576144	334.753	COYQZFRCWDROCD-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135544
ClC/C=C/CCC[C@]12[C@](Sc3ccc(cc3)C)(C1)CCCC2	PC-id_10449590	334.946	XEQGBLLDODPNGC-FJHBEECASA-N	00100000000010110000010000000000000000000000000000000000	22-01-135567
ClN[C@H](C(=O)N[C@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)O)O)C(=O)O)C(C)C	SCHEMBL10195105	334.753	COYQZFRCWDROCD-LWXNWPKBSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135545
O=C(c1c(C)onc1c1c(F)cccc1Cl)NC1CC2C(C1)C2	EMOLS-id_102230121	334.773	QTTRRHQENJULGA-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-135546
O=C(c1nnn(c1)c1cccc(c1F)Cl)N1CC2C(C1)C2(C)C	EMOLS-id_110826415	334.776	MTGQZZFWVACKJM-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-135547
O=C([C@@H]1[C@@H]2[C@H]1CNC2)Nc1ccnn1Cc1ccc(c(c1)F)Cl	EMOLS-id_319571190	334.776	TTZLSMYYYIVYBW-HBYGRHMLSA-N	00100010100000110001010000000000000000000000000000000000	22-01-135548
O=C(N1CC2C(C1)C2)Nc1ccnn1Cc1ccc(c(c1)F)Cl	EMOLS-id_318677817	334.776	KVVCAMVISJZQLN-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-135549
Cl.[C@H]12[C@](NC(=O)[C@H](CC(C)C)N)(C(=O)O)CC[C@H]1[C@@H]2C(=O)O	CHEMBL535597	334.796	WPGLMVPXDTXRPK-NKWANFOFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135550
Cl.[C@H]12[C@](NC(=O)[C@@H](CC(C)C)N)(C(=O)O)CC[C@H]1[C@@H]2C(=O)O	CHEMBL558764	334.796	WPGLMVPXDTXRPK-CETOWBFISA-N	00100010000010000000010000000000000000000000000000000000	22-01-135551
BrC1(Br)C2C1CC(Br)C2O	PC-id_73808348	334.831	KTVHWDYPQXEWKG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135552
BrC1(Br)[C@@H]2[C@H]1C[C@@H](Br)[C@@H]2O	PC-id_21590207	334.831	KTVHWDYPQXEWKG-AIHAYLRMSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135553
Clc1ccc(nc1)C1CCN(CC1)C(=O)C12CC1COC2(C)C	EMOLS-id_319309406	334.84	LXZHUSPOHFLTLD-UHFFFAOYSA-N	00100010000010101000110000000000000000000000000000000000	22-01-135554
O=C([C@@H]1[C@@H]2[C@H]1CNC2)NCC1(CCOCC1)c1ccc(cc1)Cl	EMOLS-id_319223090	334.84	AXNOETSGBZWVSA-ZSHCYNCHSA-N	00100010000010110000110000000000000000000000000000000000	22-01-135555
ClS(=O)(=O)c1sc(NC(=O)C2C3C2CCCC3)nc1C	PC-id_81623992	334.842	JZTGVKIQDLRRLL-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-135556
NC(=O)[C@]12C[C@H]1CCCN2S(=O)(=O)c1cc(c(s1)Cl)C	EMOLS-id_318942015	334.842	AHPSKPUZKOHHIW-PELKAZGASA-N	00100000100110000000010000000000000000000000000000000000	22-01-135557
O=C(c1cc(sc1S(=O)(=O)N)Cl)N1CC2C(C1)C2(C)C	EMOLS-id_110362488	334.842	MWTLXYDHJKGJBX-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-135558
CCC1C2C(=[I]2)C[I-]1	PC-id_163935539	334.88	IOPQIIIQICJCEA-UHFFFAOYSA-N	00110010000000000000010000000000000000000000000000000000	22-01-135559
CCC(C(=O)NCC1C2C1CN(C2)Cc1ccc(cc1)Cl)CC	SCHEMBL5514688,PC-id_69471626	334.883	FSHYHBKUGBOGMQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135560
CCC(C(=O)N)CCCC1C2C1CN(C2)Cc1ccc(cc1)Cl	PC-id_69471628,SCHEMBL5514690	334.883	RWQCOOMJHUVBCB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135561
Clc1ccc(cc1)C(N1CCOCC1)CNC1CCC[C@@H]2[C@H]1C2	EMOLS-id_317984357	334.883	XNYARMDEHJXMLD-XMZVIZOASA-N	00100000000010110001010000000000000000000000000000000000	22-01-135562
Clc1ccc(cc1)C(N1CCOCC1)CNC1CCC[C@H]2[C@@H]1C2	EMOLS-id_319182804	334.883	XNYARMDEHJXMLD-SVUBNXHSSA-N	00100000000010110001010000000000000000000000000000000000	22-01-135563
Clc1ccccc1C(N1CCOCC1)CNC1CCC[C@H]2[C@@H]1C2	EMOLS-id_319659263	334.883	UGYRVMSVHTWLIK-QNKPJDFZSA-N	00100000000010110001010000000000000000000000000000000000	22-01-135564
Clc1cccc(c1)C(N1CCOCC1)CNC1CCC[C@H]2[C@@H]1C2	EMOLS-id_319784230	334.883	AFQRPPZAWIDXAC-WBQSDOAFSA-N	00100000000010110001010000000000000000000000000000000000	22-01-135565
C1C2C(C2I)CN1I	SCHEMBL20322511,PC-id_135172458	334.925	UCAKDAAQMFQLII-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135566
ClCC=CCCCC12C(Sc3ccc(cc3)C)(C1)CCCC2	PC-id_85146328	334.946	XEQGBLLDODPNGC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135568
CCCCCCCCCCCCCCCC1c2c1cccc2Cl	SCHEMBL19103592	334.966	VIVXXQAPTALOEP-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-135569
IC(Cl)(Cl)C1OC(=O)C2C(C12)(C)C	PC-id_20566147,SCHEMBL11329628	334.966	JKOUCJLSUQHBTI-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135570
C1C2C1CC(C(C2)C(=O)CC3=CC=C(C=C3)Br)C(=O)[O-]	PC-id_154466634	335.029	LJOAUWVUOVCPDQ-UHFFFAOYSA-M	00100000000010110000010000000000000000000000000000000000	22-01-135571
COC(=O)C1CC2C(C1)C2C(C3=CC(=NC(=C3)Cl)Cl)(F)F	PC-id_154705295	335.029	GDLFLPXGWXHQJP-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-135572
C1CC2C(O2)C(C1)OC(=O)C(C(C(C(=O)[O-])(F)F)(F)F)(F)F	PC-id_164747161	335.036	WJPVGFJAUVGRCS-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-135573
COC(=O)[C@]1([C@@H](C=C[C@H]2[C@@H]1O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O	PC-id_154793093	335.064	OZBOTMUWXXBCPJ-OZTPJHRESA-N	00100000000011110000010000000000000000000000000000000000	22-01-135574
CCOC(=O)[C@H](C12C[C@H]1SCCC2=O)NC3=CC=C(C=C3)OC	PC-id_148550753	335.119	MTCIHPXNMRNGRE-BLBXNVQISA-N	00100000000010110000010000000000000000000000000000000000	22-01-135575
Brc1cnc(c(c1)F)C(=O)NC1CC2C(C1)C2(F)F	EMOLS-id_319859199,MCULE-4391560363	335.12	VSLBKGIIYKPTEM-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-135576
CCC(=C(C1=C(C(C2C1C2)(F)F)NCC(=O)OCC)C(F)F)C	PC-id_153395418	335.151	YVAOTVWVMCIILE-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-135577
CC1(C2C1C(OC2)O[C@H](C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C	PC-id_150684931	335.152	JIQRGPPACWMYDF-HTYYJLERSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135578
CC1(C2C1C(OC2)O[C@@H](C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C	PC-id_150684933	335.152	JIQRGPPACWMYDF-MRXCCOFVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135579
Cc1c(Cl)cc(NC(=O)N2CC[C@@H]3[C@@H](C2)C3(F)F)cc1Cl	ZINC22_1668522010	335.177	BADCECVASKHOBM-NXEZZACHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135580
Cc1c(Cl)cc(NC(=O)N2CC[C@H]3[C@H](C2)C3(F)F)cc1Cl	ZINC22_1668522011	335.177	BADCECVASKHOBM-UWVGGRQHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135581
Cc1c(Cl)cc(NC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc1Cl	ZINC22_1668522012	335.177	BADCECVASKHOBM-VHSXEESVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135582
Cc1c(Cl)cc(NC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)cc1Cl	ZINC22_1668522013	335.177	BADCECVASKHOBM-ZJUUUORDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135583
C1CN(CCC1CO)CC(=O)NC[C@]23C[C@]2(CNC3)C(F)(F)F	PC-id_154807363,MCULE-9546519335,EMOLS-id_317747158	335.182	AVHFJELXDWLPIX-ZIAGYGMSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135584
CC1[C@H]2[C@@H]1CC(C2)OC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N=C	PC-id_155051551	335.185	HDURBWYPHRFFRC-ZJFIUHRLSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135585
Brc1ccc(c(c1)F)S(=O)(=O)NC1C2C1CNC2	PC-id_113533060	335.193	SVNQJOFVTPMLNE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135586
Brc1ccc(cc1F)S(=O)(=O)NC1C2C1CNC2	PC-id_113985549	335.193	DIDZBAPZJOFZGY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135587
Brc1c(S(=O)(=O)NC2C3C2CNC3)ccc(F)c1	PC-id_60822814	335.193	XPHFIQRXYAXTGS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135588
CC(C)(C)OC(=O)N1CC2C(C1)(N2)CN(C)Cc1ccc(cc1)F	PC-id_164041223	335.201	VQIZCSJPCXOHJT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135589
CC12CC(CCC1O2)C(=O)CCC1CCC(CC1)OC(=O)C(=C)N	PC-id_164000932	335.21	UIXIOAFQXWMTFN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-135590
Brc1noc(c1)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_317019938	335.217	MXCVLIAHAZTLDJ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-135591
CCC(C)C(C(=O)N1[C@@H](CC[C@@H]2C1C2)C#N)NC(=O)OC(C)(C)C	PC-id_163903706	335.221	QMBLWFTYQDTVHY-PYJARURNSA-N	00100000000010000000010000000000000000000000000000000000	22-01-135592
CCC(C)[C@@H](C(=O)N1C[C@H]2[C@H]([C@H]2[C@@H]1C#N)C)NC(=O)OC(C)(C)C	PC-id_149097998	335.221	QTZIBOWZDXQQLO-KBYCQGODSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135593
CCCCCC(CC1CCC2C(C1)O2)(C3CCC4C(C3)O4)C(=O)[O-]	PC-id_153698362	335.223	SBADQEOPYYJVQP-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-135594
ICCCCCCNC(=O)C1C2C1CCC2	PC-id_107848610	335.224	PTLWVOAKGIZUEV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135595
ICCCCCCNC(=O)C1CC2C(C1)C2	PC-id_107848033	335.224	POHUYSWAHKLOAQ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135596
ICCCCCNC(=O)C1C2C1CCCC2	PC-id_107322268	335.224	YPDPYSUCGSKMMO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-135597
ICC(C(C)C)NC(=O)C1C2C1CCCC2	PC-id_107859786	335.224	GIUXBDLCOFGEER-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-135598
IC(=O)NC1C2C1CCCCCCCCC2	SCHEMBL19459283	335.224	WLWWUXOXIHYRSM-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-135599
ClC1(Cl)C2C1CN(C2C(=O)O)C(=O)C(N)C1CCCCC1	PC-id_77943940	335.226	UVYCXMCFFWVFTA-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135600
ClC1(Cl)[C@H]2[C@@H]1CN(C2C(=O)O)C(=O)[C@@H](N)C1CCCCC1	SCHEMBL13305798,PC-id_70879091	335.226	UVYCXMCFFWVFTA-KXBCIPKXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135601
Brc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_638073	335.239	OHEOKZNCXBDYNE-IJUUUVIWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135602
Brc1ccc(cc1)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_638074	335.239	OHEOKZNCXBDYNE-KMJZKAPUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135603
Brc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_638075,PC-id_39746381	335.239	OHEOKZNCXBDYNE-QUYNDJIQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135604
Brc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_638076	335.239	OHEOKZNCXBDYNE-FTJSCAINSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135605
Brc1ccc(cc1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_638077	335.239	OHEOKZNCXBDYNE-OLXINACNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135606
Brc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_638079	335.239	OHEOKZNCXBDYNE-UDWLEGMYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135607
Brc1ccc(cc1)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_638080	335.239	OHEOKZNCXBDYNE-WAEMFSHVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135608
Brc1cccc(c1)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560503	335.239	ILBXUJRFLDGOKY-GHYFRNLBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135609
Brc1cccc(c1)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560504	335.239	ILBXUJRFLDGOKY-KMJZKAPUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135610
Brc1cccc(c1)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560505	335.239	ILBXUJRFLDGOKY-QUYNDJIQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135611
Brc1cccc(c1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560506	335.239	ILBXUJRFLDGOKY-FTJSCAINSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135612
Brc1cccc(c1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560507	335.239	ILBXUJRFLDGOKY-OLXINACNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135613
Brc1cccc(c1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560508	335.239	ILBXUJRFLDGOKY-IJUUUVIWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135614
Brc1cccc(c1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560509	335.239	ILBXUJRFLDGOKY-UDWLEGMYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135615
Brc1cccc(c1)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560510	335.239	ILBXUJRFLDGOKY-WAEMFSHVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135616
Brc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	PC-id_39746380,CoCoCo_638078	335.239	OHEOKZNCXBDYNE-GHYFRNLBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135617
Brc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98068152	335.239	OHEOKZNCXBDYNE-ABHJDBPPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135618
Brc1cccc(c1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98068909	335.239	ILBXUJRFLDGOKY-ABHJDBPPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135619
Brc1cccc(c1)/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98068911	335.239	ILBXUJRFLDGOKY-NSRBILNPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135620
Brc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98107787	335.239	OHEOKZNCXBDYNE-SUBNYSPWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135621
Brc1ccc(C(=C)NNC(=O)C2C3C2CCCC3)cc1	PC-id_4431773	335.239	UDCJZBHFRWDNBW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135622
Brc1ccc(C(=NNC(=O)C2[C@H]3[C@@H]2CCCC3)C)cc1	PC-id_5393253	335.239	KRDBWWMPMKJBMX-YIONKMFJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135623
Brc1ccc(/C(=N/NC(=O)C2[C@H]3[C@@H]2CCCC3)/C)cc1	PC-id_5457086	335.239	KRDBWWMPMKJBMX-YTMCFHSCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135624
Brc1ccc(C=NNC(=O)[C@@H]2[C@]3([C@@H]2CCCC3)C)cc1	PC-id_11891300	335.239	OHEOKZNCXBDYNE-IIAWOOMASA-N	00100000000010110000010000000000000000000000000000000000	22-01-135625
Brc1ccc(C=NNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)cc1	PC-id_5401721	335.239	OHEOKZNCXBDYNE-LZWOXQAQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135626
Brc1ccc(C=NNC(=O)[C@H]2[C@]3([C@@H]2CCCC3)C)cc1	PC-id_5512780	335.239	OHEOKZNCXBDYNE-IJEWVQPXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135627
Brc1cc(C(=NNC(=O)C2[C@H]3[C@@H]2CCCC3)C)ccc1	PC-id_11892013	335.239	DHOPWWINTCDAGO-YIONKMFJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135628
Brc1cc(C=NNC(=O)[C@@H]2[C@]3([C@@H]2CCCC3)C)ccc1	PC-id_40554713	335.239	ILBXUJRFLDGOKY-IIAWOOMASA-N	00100000000010110000010000000000000000000000000000000000	22-01-135629
Brc1cc(C=NNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)ccc1	PC-id_40554777	335.239	ILBXUJRFLDGOKY-LZWOXQAQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135630
C12(CCCCC1C2C(=O)NN=Cc1cccc(Br)c1)C	PC-id_5063081,MCULE-1279594605	335.239	ILBXUJRFLDGOKY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135631
C12(CCCCC1C2C(=O)NN=Cc1ccc(cc1)Br)C	PC-id_2844382,MCULE-6215460609	335.239	OHEOKZNCXBDYNE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135632
C12CCCCC1C2C(=O)NN=C(C)c1cccc(Br)c1	PC-id_73135774,MCULE-8781807038	335.239	DHOPWWINTCDAGO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135633
C12CCCCC1C2C(=O)NN=C(C)c1ccc(cc1)Br	MCULE-4240011773,PC-id_2830830	335.239	KRDBWWMPMKJBMX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135634
CC12CCCCC1C2C(=O)N/N=Cc1ccc(Br)cc1	EMOLS-id_25857402	335.239	OHEOKZNCXBDYNE-ZDLGFXPLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135635
CC12CCCCC1C2C(=O)N/N=C/c1ccc(Br)cc1	EMOLS-id_26682923,PC-id_5721492,ChEMBL-DNDi_CHEMBL8005-2466	335.239	OHEOKZNCXBDYNE-VCHYOVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135636
CC12CCCCC1C2C(=O)N/N=C/c1cccc(Br)c1	PC-id_9605901,TIMTEC218033,EMOLS-id_26682759	335.239	ILBXUJRFLDGOKY-VCHYOVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135637
C/C(=N/NC(=O)C1C2C1CCCC2)/c1ccc(cc1)Br	TIMTEC270368,CK1918454,EMOLS-id_25775249,BAS-00253887	335.239	KRDBWWMPMKJBMX-ZDLGFXPLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135638
C/C(=NNC(=O)C1C2CCCCC12)/c1ccc(Br)cc1	EMOLS-id_26768645,SPECS-id_AG-205/33143059,PC-id_5717891	335.239	KRDBWWMPMKJBMX-VCHYOVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135639
C/C(=NNC(=O)C1C2CCCCC12)/c1cccc(Br)c1	EMOLS-id_316215286	335.239	DHOPWWINTCDAGO-VCHYOVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135640
C/C(=N/NC(=O)C1[C@H]2[C@H]1CCCC2)/c1ccc(cc1)Br	PC-id_98044838	335.239	KRDBWWMPMKJBMX-AHFBHCKLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135641
C/C(=NNC(=O)C1[C@H]2[C@H]1CCCC2)/c1ccc(cc1)Br	PC-id_98092850	335.239	KRDBWWMPMKJBMX-DTVMNVQKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135642
C/C(=N/NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)/c1ccc(cc1)Br	CoCoCo_23981	335.239	KRDBWWMPMKJBMX-XLWCQPPBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135643
C/C(=NNC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)/c1ccc(cc1)Br	CoCoCo_23982	335.239	KRDBWWMPMKJBMX-YLXDKJSPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135644
C/C(=N/NC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2)/c1ccc(cc1)Br	CoCoCo_23983	335.239	KRDBWWMPMKJBMX-RIKURRCESA-N	00100000000010110000010000000000000000000000000000000000	22-01-135645
C/C(=NNC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2)/c1ccc(cc1)Br	CoCoCo_23984	335.239	KRDBWWMPMKJBMX-VFPARUJBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135646
O=C([C@@H]1C[C@@H]2[C@H](N1)C2)NCC1(CC1)c1cccc(c1)Br	EMOLS-id_318373585	335.239	LZLSJJCRDRNUGX-HONMWMINSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135647
O=C(N1CCCC1c1ccccc1Br)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_319149059	335.239	WDFUXSHUDOIIKA-BJXSVUDCSA-N	00100010000000110000110000000000000000000000000000000000	22-01-135648
C1C=CCC2C1N2C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_87479154,SCHEMBL3091750	335.244	GOSFTBCUTMBLID-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-135649
C1C=CC[C@H]2[C@@H]1N2C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_135079974	335.244	GOSFTBCUTMBLID-HMHKETEZSA-N	00100000000011110000010000000000000000000000000000000000	22-01-135650
Clc1c(S(=O)(=O)NC2C3C2CNC3)c(c(Cl)cc1C)C	PC-id_43597490	335.249	PSQBKXHHESKUFD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135651
CC(=O)CC[C@]12[C@H](C(=O)O)C(C)(C)CCC[C@]1(C2(Cl)Cl)C	PC-id_101366026	335.266	TXVXPHGRFLVLBC-DFBGVHRSSA-N	00100000000000000100010000000000000000000000000000000000	22-01-135652
[N-]=[N+]=N[C@]1([C@H](O)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O)C(=O)OCc1ccccc1	PC-id_140008947	335.287	DHPUHKLLUNIYNY-ZNLHFFCSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135653
CC(C)(C)NC(=O)C1[C@H]2[C@@H]1CN(C2)CC3CCN(CC3)C(C)(C)C	PC-id_164762699	335.294	UCZVJPFRYXJALJ-SJPCQFCGSA-N	00100010000010000000010000000000000000000000000000000000	22-01-135654
COC(=O)[C@@H]1C2C(C2(F)F)CN1S(=O)(=O)c1ccc(cc1)F	PC-id_139563792,SCHEMBL21441885	335.299	RCFJNHVPJOVVRI-ILDUYXDCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135655
COC(=O)[C@@H]1[C@@H]2[C@@H](C2(F)F)CN1S(=O)(=O)c1ccc(cc1)F	SCHEMBL18018227,PC-id_122490019	335.299	RCFJNHVPJOVVRI-DCAQKATOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135656
COC(=O)[C@@H]1[C@H]2[C@H](C2(F)F)CN1S(=O)(=O)c1ccc(cc1)F	SCHEMBL18018354,PC-id_122490128	335.299	RCFJNHVPJOVVRI-MXWKQRLJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135657
CC12CCN(CC1C2(F)F)C(=O)c1ccc(cc1)c1noc(=O)[nH]1	PC-id_137181324	335.305	KTXZIGGANJSVFX-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-135658
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1c(cccc1OC)OC	EMOLS-id_317366117,ZINC22_1704310152,PC-id_135095459,MCULE-4650573034	335.309	PMOGYDCROAMULB-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135659
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1OC)OC	PC-id_135108853,MCULE-1356465108,EMOLS-id_317371562,ZINC22_1704325359	335.309	INPFBWSIYLNSRJ-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135660
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(c(OC)c1)OC	EMOLS-id_317334474,ZINC22_1704335678,PC-id_135119936,MCULE-6034402622	335.309	DJVIYUMBTYBINE-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135661
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cccc(OC)c1OC	ZINC22_1704311846,EMOLS-id_317356406,MCULE-3135358272,PC-id_135102091	335.309	DTYQVZQCPXSZQO-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135662
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(OC)cc(OC)c1	MCULE-9119568322,PC-id_135118522,EMOLS-id_317379751,ZINC22_1704325536	335.309	PBZGTERBVJMXFC-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135663
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)COc1ccc(cc1)OC	PC-id_135099626,MCULE-8151159371,ZINC22_1704310053,EMOLS-id_317352830	335.309	WQGGMACNLLMUPM-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135664
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)COc1ccccc1OC	ZINC22_1704326115,PC-id_135113397,MCULE-3376216928,EMOLS-id_317385901	335.309	XMAGBASKEWXGRK-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135665
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)COc1cccc(OC)c1	ZINC22_1704314944,EMOLS-id_317331335,PC-id_135101255,MCULE-9400216911	335.309	YXAXWDPIGYIFDC-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135666
c1(N(=O)=O)ccc(cc1)C(=O)O[C@@H]1C[C@@H](OC(=O)C)C[C@H]2O[C@@]12C	PC-id_139037087,1501869_OpenMolecule,CT-id_1501869	335.309	UBUYDGVJVMZOSD-KQTLUZQSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135667
COC(=O)[C@@H]1CO[C@H]2[C@@H](N1C(=O)OCc1ccccc1)[C@@H]2C(=O)O	PC-id_68579038,SCHEMBL3278493	335.309	FHAPKGONVIGAAN-ZDEQEGDKSA-N	00100000000010110001010000000000000000000000000000000000	22-01-135668
O1C2(C1CC(OC(=O)C)CC2OC(=O)c1ccc([N+](=O)[O-])cc1)C	PC-id_75597360	335.309	UBUYDGVJVMZOSD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135669
O1[C@]2([C@@H]1C[C@@H](OC(=O)C)C[C@@H]2OC(=O)c1ccc([N+](=O)[O-])cc1)C	PC-id_50993396	335.309	UBUYDGVJVMZOSD-RZLSGREXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135670
O1C2C(N(C(C1)C(=O)OC)C(=O)OCc1ccccc1)C2C(=O)O	PC-id_77524994	335.309	FHAPKGONVIGAAN-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-135671
O1C2C1C(=O)C=C(NC(=O)c1c(Oc3ccccc3)cccc1)C2=O	PC-id_85835157	335.31	VOLHZFRXQYTNRG-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-135672
NC(=O)c1nc(ccc1N)c1cccc(c1)C#C[C@@]12OC1COC2=O	PC-id_144793629	335.314	BUXSQSKCAMMPGE-XPKAQORNSA-N	00100010000000111000110000000000000000000000000000000000	22-01-135673
BrC(C1C2C1CCC2)c1c(CC)cc(cc1CC)CC	PC-id_81759945	335.322	QDUTYRHBLMDUCP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135674
BrC(C1C2C1CCC2)c1c(C(C)C)cc(cc1)C(C)C	PC-id_81637653	335.322	LHZQFWWGNDASAH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135675
C(C(=O)O)(F)(F)F.[C@]12(N(C(=O)[C@@H](N)C(CC)C)CC[C@@H]1C2)C#N	CHEMBL90223	335.322	DAGHRKQIDNZCAP-KEVUZSAFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135680
C(C(=O)O)(F)(F)F.N1([C@@H]2[C@@H](C2)CC1C#N)C(=O)[C@@H](N)C(CC)C	CHEMBL315434	335.322	PUPGTBPZBSCZDC-BYMDLEQMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135681
C(C(=O)O)(F)(F)F.N1([C@@H]2[C@@H](C2)CC1C#N)C(=O)[C@@H](NC)C(C)C	CHEMBL327781	335.322	MMAZVIZYYZOQCG-BVFJYEKQSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135682
C(C(=O)O)(F)(F)F.N1([C@H]2[C@H](C2)CC1C#N)C(=O)[C@@H](N)C(CC)C	CHEMBL86334	335.322	PUPGTBPZBSCZDC-ZJUAERAZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135683
C(C(=O)O)(F)(F)F.N1(C(=O)[C@H](C(C)(C)C)N)C([C@H]2[C@H](C2)C1)C#N	CHEMBL86539	335.322	YVMBJQCMMJOXIA-PMAMRZPRSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135684
C(C(=O)O)(F)(F)F.N1(C(=O)[C@@H](N)C(CC)C)C([C@H]2[C@H](C2)C1)C#N	CHEMBL327435	335.322	QKWIRXQSMSQMFS-VIGUZWRMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135685
Cc1oc(cc1S(=O)(=O)N1CCC2(C(C1)C2(F)F)C)C(=O)O	PC-id_139021832,EMOLS-id_320341366,MCULE-7609387491	335.324	XNAOSNWXNQGVFS-UHFFFAOYSA-N	00100000101010000000010000000000000000000000000000000000	22-01-135686
Cc1oc(C(=O)O)cc1S(=O)(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F	ZINC22_871967000	335.324	XNAOSNWXNQGVFS-CMPLNLGQSA-N	00100000101010000000010000000000000000000000000000000000	22-01-135687
Cc1oc(C(=O)O)cc1S(=O)(=O)N1CC[C@@]2(C)[C@H](C1)C2(F)F	ZINC22_871967001	335.324	XNAOSNWXNQGVFS-JQWIXIFHSA-N	00100000101010000000010000000000000000000000000000000000	22-01-135688
Cc1oc(C(=O)O)cc1S(=O)(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F	ZINC22_871967002	335.324	XNAOSNWXNQGVFS-PWSUYJOCSA-N	00100000101010000000010000000000000000000000000000000000	22-01-135689
Cc1oc(C(=O)O)cc1S(=O)(=O)N1CC[C@]2(C)[C@@H](C1)C2(F)F	ZINC22_871967003	335.324	XNAOSNWXNQGVFS-ZYHUDNBSSA-N	00100000101010000000010000000000000000000000000000000000	22-01-135690
C1C(N2C(C2CN=[N+]=[N-])CC1(CCCN=[N+]=[N-])[N+](=O)[O-])CN=[N+]=[N-]	SCHEMBL13946987,PC-id_89205347	335.325	RQTHGVPDHSIOTB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-135691
c1ccc(c(c1)C(=O)NC1=CC(=O)NC2C(N1)S2)OCC(=O)O	PC-id_134508182,SCHEMBL20150491	335.335	AABKMLLFCIJDDO-UHFFFAOYSA-N	00100000000000110111010000000000000000000000000000000000	22-01-135692
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(c(c1)C(F)F)F	EMOLS-id_319006173	335.342	QLZJZFGXODCGQG-YMTOWFKASA-N	00100000000010110000010000000000000000000000000000000000	22-01-135693
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1cccc(c1)C(F)(F)F	MCULE-6053027027,EMOLS-id_319832224	335.342	AEKRAOVMYODSSU-DGCLKSJQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135694
CCOC(=O)[C@@H]1C[C@]2(C[C@H]2N1C(=O)OC(C)(C)C)COC(F)F	PC-id_135318711,SCHEMBL20488558	335.344	XWEPWKLUXQTNOE-WMFXKJRFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135695
FC1(F)[C@H](O)[C@H]2O[C@H]2CC([C@@H](OC(=O)N(CC)CC)C1=O)(C)C	PC-id_11232933	335.344	FLXBLJNKPOWMEK-GUDRVLHUSA-N	00100000000000000100010000000000000000000000000000000000	22-01-135696
FC1(F)C(O)C2OC2CC(C(OC(=O)N(CC)CC)C1=O)(C)C	PC-id_72761853	335.344	FLXBLJNKPOWMEK-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-135697
FC(c1cc(NC2CCC3C(C2)C3)nc(n1)S(=O)(=O)C)(F)F	MCULE-7487329272,EMOLS-id_320059096	335.345	WDBJKVARWLWSEQ-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-135698
FC(c1cc(NC2CCCC3C2C3)nc(n1)S(=O)(=O)C)(F)F	EMOLS-id_319227202	335.345	INESOVWDNSMGTB-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-135699
O=C(CC(C(F)(F)F)(c1scc(n1)C)O)N[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_319437532	335.345	SIKHOQLQTDRXEZ-YDQMJRGYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-135700
Fc1ccc(NC(=O)N2CCC3CC23C(=O)N2CCCC2)cc1F	EMOLS-id_324105022	335.348	VREZJTQMZHDGIP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135701
Fc1ccc(NC(=O)N2CCC3CC23C(=O)NC2CCC2)cc1F	EMOLS-id_324105278	335.348	GNWGLBCVUMPPTJ-UHFFFAOYSA-N	00101010000000110000010000000000000000000000000000000000	22-01-135702
O=C(NC1CC2C(C1)C2)NC1CC(=O)N(C1)c1c(F)cccc1F	EMOLS-id_102185767	335.348	QNMBTDVEBZOHBH-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-135703
O=C(Nc1ccc(F)c(F)c1)N1CC[C@H]2C[C@@]12C(=O)N1CCCC1	ZINC22_2056225422	335.348	VREZJTQMZHDGIP-APPDUMDISA-N	00100010000000110000010000000000000000000000000000000000	22-01-135704
O=C(Nc1ccc(F)c(F)c1)N1CC[C@@H]2C[C@]12C(=O)N1CCCC1	ZINC22_2056225423	335.348	VREZJTQMZHDGIP-DIFFPNOSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135705
O=C(Nc1ccc(F)c(F)c1)N1CC[C@H]2C[C@]12C(=O)N1CCCC1	ZINC22_2056225424	335.348	VREZJTQMZHDGIP-GTNSWQLSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135706
O=C(Nc1ccc(F)c(F)c1)N1CC[C@@H]2C[C@@]12C(=O)N1CCCC1	ZINC22_2056225425	335.348	VREZJTQMZHDGIP-PIGZYNQJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135707
O=C(Nc1ccc(F)c(F)c1)N1CC[C@@H]2C[C@@]12C(=O)NC1CCC1	ZINC22_2056225184	335.348	GNWGLBCVUMPPTJ-BMLIUANNSA-N	00101010000000110000010000000000000000000000000000000000	22-01-135708
O=C(Nc1ccc(F)c(F)c1)N1CC[C@H]2C[C@]12C(=O)NC1CCC1	ZINC22_2056225185	335.348	GNWGLBCVUMPPTJ-BTDLBPIBSA-N	00101010000000110000010000000000000000000000000000000000	22-01-135709
O=C(Nc1ccc(F)c(F)c1)N1CC[C@H]2C[C@@]12C(=O)NC1CCC1	ZINC22_2056225186	335.348	GNWGLBCVUMPPTJ-DYZYQPBXSA-N	00101010000000110000010000000000000000000000000000000000	22-01-135710
O=C(Nc1ccc(F)c(F)c1)N1CC[C@@H]2C[C@]12C(=O)NC1CCC1	ZINC22_2056225187	335.348	GNWGLBCVUMPPTJ-QGHHPUGFSA-N	00101010000000110000010000000000000000000000000000000000	22-01-135711
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BrC1[C@H]2[C@@H](N(C1O)C(=O)OC(C)(C)C)[C@@H]2C(=O)OC	PC-id_11515542	336.179	POZRXEGVYZDXNO-OHPQEFSYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-135975
CN(C[C@H]1[C@H]2CNC[C@H]21)C(=O)C(O)(c1ccccc1)c1ccccc1	TT-id_D0AV0O,GRAC-id_8586,PD046887	336.18	AARSINSGAQDAKQ-REPLKXPHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135976
Brc1ccc(C(=O)CCCN2C(=O)C3C(C3)C2=O)cc1	PC-id_64835305	336.181	IJNWUOIXGJRLLV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135977
Brc1cc(C(=O)CN2C(=O)C3C(C3C2=O)(C)C)ccc1	PC-id_64836237	336.181	AWTYAFHUJMVVBU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135979
Brc1c(C(=O)CN2C(=O)C3C(C3C2=O)(C)C)cccc1	PC-id_64835299	336.181	GJJFNLOYOHLNSB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135980
C/C=C(C1=CC2=C(N2O[N+]3(CC3CC4=CC=CC=C4)N)N=C1)/C(=N)C	PC-id_153545221	336.182	KALJHBINBMUDEP-SZASYODHSA-N	00100000000000110000010000000000000000000000000000000000	22-01-135981
CC1=C(N=CC=C1)OC2C[C@@H]3[C@@H](C2)C3[C@@H](C)C4=CC=CC=C4C(=O)N	PC-id_153289113	336.184	TZXFNHWSSHLWCA-JZILWWACSA-N	00100010000010111000010000000000000000000000000000000000	22-01-135982
CC(C)(C)C1=CC(=C(C=C1)OP2OCC3CC3CO2)C(C)(C)C	PC-id_147912126	336.185	IGINXMKYDLTUII-UHFFFAOYSA-N	00100000000000110101010000000000000000000000000000000000	22-01-135983
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CC4CC4C3	PC-id_154401251	336.191	OQZGBAPNSDNBEO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135984
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3C[C@H]4C[C@H]4C3	PC-id_153307013	336.191	OQZGBAPNSDNBEO-DFNIBXOVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-135985
O=C(N1CC2C(C1)C2(F)F)CCc1ccsc1Br	EMOLS-id_318770559	336.196	JPYIRYWTZPOBAU-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-135986
O=C(C12COCC1C2)Nc1ncc(s1)B1OC(C(O1)(C)C)(C)C	MCULE-5766560010	336.214	IWHJHUJJWKSPNG-UHFFFAOYSA-N	00100010100000000001110000000000000000000000000000000000	22-01-135987
O=C(C1C2C1COC2)Nc1ncc(s1)B1OC(C(O1)(C)C)(C)C	MCULE-1629303508	336.214	YPBPFYZEVUZIPY-UHFFFAOYSA-N	00100010100000000001110000000000000000000000000000000000	22-01-135988
BrC1(C2N(C(OC12)C(C)(C)C)C(=O)OC)C(O)(C)C	PC-id_598368	336.222	BDAOUEBXILRLQY-UHFFFAOYSA-N	00100010000000000001010000000000000000000000000000000000	22-01-135989
BrCC(CN1C(=O)C2C(C2C1=O)(C)C)c1ccccc1	PC-id_65014655	336.224	CVDNWEXVTBHXPI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-135990
Brc1cnc(nc1)C1CN(C1)C(=O)C1CCC2C(C1)C2	EMOLS-id_319677548	336.227	LNSFGTFOIULBQY-UHFFFAOYSA-N	00101000000010100001110000000000000000000000000000000000	22-01-135991
Brc1cnc(nc1)C1CN(C1)C(=O)CC1CCC2C1C2	EMOLS-id_319460944	336.227	ZOPBZDWOMRWVLL-UHFFFAOYSA-N	00101010000010100001110000000000000000000000000000000000	22-01-135992
O=C(C1NC2C(C1)(C2)C)Nc1nc(Br)ccc1C1CC1	PC-id_140776739	336.227	MDVZVQHDCSMCLZ-UHFFFAOYSA-N	00100010000000101000110000000000000000000000000000000000	22-01-135993
O=C([C@H]1NC2[C@@](C1)(C2)C)Nc1nc(Br)ccc1C1CC1	SCHEMBL18591408	336.227	MDVZVQHDCSMCLZ-VIBFFUDUSA-N	00100010000000101000110000000000000000000000000000000000	22-01-135994
O=C([C@H]1N[C@H]2[C@@](C1)(C2)C)Nc1nc(Br)ccc1C1CC1	SCHEMBL18578360	336.227	MDVZVQHDCSMCLZ-RWSFTLGLSA-N	00100010000000101000110000000000000000000000000000000000	22-01-135995
O=C(Nc1ccc(c(n1)C1CC1)Br)NC1CC2C(C1)C2	EMOLS-id_102218596	336.227	IRNYJHOZBOMQLH-UHFFFAOYSA-N	00100010000010101000110000000000000000000000000000000000	22-01-135996
CCCC1CC2C(O2)CC1COC(=O)C3CC4C(O4)CC3CCC	PC-id_154363295	336.23	ONADCOOMAKORNL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-135997
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1cccc(c1Cl)Cl	EMOLS-id_319094884	336.234	SFSJPDNPPLDGJF-NOZJJQNGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135998
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(c(c1)Cl)Cl	EMOLS-id_319883946,MCULE-5211051565	336.234	AKIDZYHXTAZVCC-NOZJJQNGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-135999
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1cc(Cl)cc(c1)Cl	MCULE-1676552425,EMOLS-id_320278306	336.234	DCXFHZMDAUXKAU-NOZJJQNGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136000
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1c(Cl)cccc1Cl	EMOLS-id_319158613	336.234	AMRRVZHELOXEFT-NOZJJQNGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136001
CC1(CCCN(C1)CC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)OC(C)(C)C)C	PC-id_162259697	336.241	UXIQRIOXICSNRG-KFWWJZLASA-N	00100010000010000000010000000000000000000000000000000000	22-01-136002
COC(=O)C12OC1(OC)CN(C2=O)C(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_101710437	336.254	SKYKIOCFKUHHDA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136003
O=C(OCc1ccccc1C(F)(F)F)[C@@]12OCCC[C@@H]1C2(F)F	ZINC22_1875267228	336.254	ZCMNLQPDEYGXPG-AAEUAGOBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136004
O=C(OCc1ccccc1C(F)(F)F)[C@]12OCCC[C@H]1C2(F)F	ZINC22_1875267229	336.254	ZCMNLQPDEYGXPG-DGCLKSJQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136005
O=C(OCc1ccccc1C(F)(F)F)[C@]12OCCC[C@@H]1C2(F)F	ZINC22_1875267230	336.254	ZCMNLQPDEYGXPG-WCQYABFASA-N	00100000000010110000010000000000000000000000000000000000	22-01-136006
O=C(OCc1ccccc1C(F)(F)F)[C@@]12OCCC[C@H]1C2(F)F	ZINC22_1875267231	336.254	ZCMNLQPDEYGXPG-YPMHNXCESA-N	00100000000010110000010000000000000000000000000000000000	22-01-136007
CC(C)(C)C1C[C@]2(C[C@H]2N1C(C)(C)C)CNC(=O)C3=C(CCC3)F	PC-id_153298827	336.258	QYKQLBZTQKZVIO-ZHXBYJNYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-136008
CC/C(=C/CC(C(C)(C)O)O)/[C@H]1CC[C@]2([C@@H](O2)CCC(=C)[C@H]1C)C	PC-id_160280184	336.266	CJWVVCGCPLWMOX-RJZJQQSESA-N	00100000000000000100010000000000000000000000000000000000	22-01-136009
BrCC(c1ccccc1)(NC(=O)C1C2C1CCCC2)C	PC-id_105059954	336.267	DEYYVIULPFMWID-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136010
BrCCCc1cccc(c1)NC(=O)C1C2C1CCCC2	PC-id_104307539	336.267	ZPZPUNYCLLBIED-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136011
BrCC(Cc1ccccc1)NC(=O)C1C2C1CCCC2	PC-id_114311207	336.267	JWLSZSQMJBZASC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136012
BrCCN(C(=O)C1C2C1CCCC2)Cc1ccccc1	PC-id_81636760	336.267	YLJCMWFHTYYRPK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136013
O=C(c1ccc2c(c1O)S2(=O)=O)OOC(=O)c1ccccc1O	PC-id_145722217	336.274	PUICEHDNGGOUCX-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-136014
COC1C(O)[C@@H](C)OC(C1OC1OC2OC2C(C1O)O)C(=O)O	PC-id_122596395,SCHEMBL18122137	336.292	KKRGDEKBYGPXPQ-QSBYFOJXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-136015
O1C2(C1C(=O)C(=CC2=O)COC(=O)C)C(OC(=O)C)/C=C(C)/C=O	PC-id_10664572	336.293	HSTGWHJVZDXYFE-XBXARRHUSA-N	00100000000011000000010000000000000000000000000000000000	22-01-136016
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O=CC(=CC(OC(=O)C)C12OC1C(=O)C(=CC2=O)COC(=O)C)C	PC-id_85224427,CNP0214778	336.293	HSTGWHJVZDXYFE-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-136018
C1CC(CC(C1)(C(F)(F)F)O)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)O	SCHEMBL20559830,PC-id_135378301	336.307	LNIFNGLYYLTCBB-KEQMMSQWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-136019
Brc1c(CC2(CC3C(C3)C2)CNC(C)(C)C)cccc1	PC-id_80471126	336.31	FXFPPMBUTRCJBY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136020
Brc1c(CC2(CC3C(C3)C2)CNCC(C)C)cccc1	PC-id_80471777	336.31	AWGOWLAEFQSUPM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136021
Brc1cc(CC2(CC3C(C3)C2)CNC(C)(C)C)ccc1	PC-id_80471127	336.31	JEHOMAXEQWNKLW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136022
Brc1cc(CC2(CC3C(C3)C2)CNCC(C)C)ccc1	PC-id_80471778	336.31	OOQYBULGQKQARZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136023
Brc1ccc(CC2(CC3C(C3)C2)CNC(C)(C)C)cc1	PC-id_80472103	336.31	LZFGWFDPYJUORO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136024
Brc1ccc(CC2(CC3C(C3)C2)CNCC(C)C)cc1	PC-id_80472233	336.31	UYTOGJMTHRUHBP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136025
Brc1ccc(CC(NCCC)C2C3C2CCCC3)cc1	PC-id_81630339	336.31	JGOIPCWYJVRWHC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136026
Brc1c(cc(C(NCC)C2C3C2CCCC3)c(c1)C)C	PC-id_81631044	336.31	XFJIRQHUAUFCJU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136027
Brc1c(cc(C(NCCC)C2C3C2CCC3)c(c1)C)C	PC-id_81631139	336.31	SHGVDZWYUKTDIE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136028
Brc1cc(CC(NCCC)C2C3C2CCCC3)ccc1	PC-id_81631504	336.31	ASCZVPYRBLANQU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136029
Brc1c(cc(C(NCCC)C2CC3C(C3)C2)c(c1)C)C	PC-id_80468682	336.31	DRPWINBQTLUPCS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136030
CCCNC(C1C2C1CCCC2)Cc1ccccc1Br	PC-id_115786991	336.31	OEAKIKXAFUAAAI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136031
Cc1nc(C(=O)N2CC[C@@H]3[C@@H](C2)C3(F)F)nn1c1ccc(F)cc1	ZINC22_888093187	336.312	QUGFSWXPXDAVRW-CHWSQXEVSA-N	00100000100010110001110000000000000000000000000000000000	22-01-136032
Cc1nc(C(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)nn1c1ccc(F)cc1	ZINC22_888093188	336.312	QUGFSWXPXDAVRW-OLZOCXBDSA-N	00100000100010110001110000000000000000000000000000000000	22-01-136033
Cc1nc(C(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)nn1c1ccc(F)cc1	ZINC22_888093189	336.312	QUGFSWXPXDAVRW-QWHCGFSZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-136034
Cc1nc(C(=O)N2CC[C@H]3[C@H](C2)C3(F)F)nn1c1ccc(F)cc1	ZINC22_888093190	336.312	QUGFSWXPXDAVRW-STQMWFEESA-N	00100000100010110001110000000000000000000000000000000000	22-01-136035
Fc1ccc(cc1)Cn1nccc1NC(=O)N1CC2C(C1)C2(F)F	EMOLS-id_318578220	336.312	CGVLJQZFYADBHD-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-136036
Fc1ccc(cc1)n1nc(nc1C)C(=O)N1CCC2C(C1)C2(F)F	EMOLS-id_316865478,MCULE-2147096421	336.312	QUGFSWXPXDAVRW-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-136037
[C@@]12(CN(C[C@]1(C2)C(=O)O)CC(=O)Nc1ccc(c(F)c1)C)C(=O)O	EMOLS-id_317348484,PC-id_135092819,MCULE-4014099656,ZINC22_1704315424	336.315	CWXYNLXZVDQLRD-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136038
NC(=N[C@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O)Nc1ccc(cc1)F	PC-id_142165104	336.318	ZXJFGLHYAGMEAN-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-136039
CC1(C)OCC2C1(C2)NS(=O)(=O)c1cncc(c1)C(F)(F)F	EMOLS-id_319171485	336.33	QTCIZAMDUIHDHA-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-136040
C=CCOC(=O)C1C2C1C(CC2)C(=O)OCc1cccc(c1F)F	PC-id_142261598	336.33	JQJUWVPFMQZSFQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136041
C=CCOC(=O)C1C2C1C(CC2)C(=O)OCc1cc(F)ccc1F	PC-id_142261587	336.33	YQLAJOOGWRLSSO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136042
NC[C@@H]1[C@@H]2C[C@@H]2CN1S(=O)(=O)c1ccccc1OC(F)(F)F	PC-id_68445817,SCHEMBL2931916	336.33	AVGFCKXNRRAJGI-OPRDCNLKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136043
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(cn1)C(F)(F)F	EMOLS-id_319671051	336.33	FPHBZRBYVZQYTQ-BXKDBHETSA-N	00100000000010101000010000000000000000000000000000000000	22-01-136044
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(nc1)C(F)(F)F	EMOLS-id_320076964,MCULE-8331151050	336.33	XBORTPQANLNMTP-BXKDBHETSA-N	00100000000010101000010000000000000000000000000000000000	22-01-136045
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1nccc(c1)C(F)(F)F	EMOLS-id_319398450	336.33	IKAFEFGXUMSTQL-ZYHUDNBSSA-N	00100000000010101000010000000000000000000000000000000000	22-01-136046
OC[C@@]12CN(C[C@@]1(C2)CO)C(=O)Cc1scc(n1)C(F)(F)F	EMOLS-id_319368856	336.33	KQQPHZXZYWJMKZ-TXEJJXNPSA-N	00100010100000000001010000000000000000000000000000000000	22-01-136047
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S(=O)(=O)(N1C(C2C(C2)C1)CN)c1c(OC(F)(F)F)cccc1	PC-id_77501376	336.33	AVGFCKXNRRAJGI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136049
C=CC(=O)Nc1cccc(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC22_869266691	336.333	YAMAQXAYNHBVJZ-CJNGLKHVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136050
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CN1C2C1OC(C(C2O)OC1C(C(C(C(O1)CO)O)O)O)CN	SCHEMBL15906012,PC-id_90304908	336.338	DPLYWIUPTHETPE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-136053
O1C2C1C=CC(OC(=O)c1ccccc1)C2OC(=O)c1ccccc1	PC-id_14351131	336.338	NTIVWSPNPIZTPQ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-136054
O1C2C1C(OC(=O)c1ccccc1)C=CC2OC(=O)c1ccccc1	SCHEMBL11667268,PC-id_12552383	336.338	GCXFBZYBGRONFV-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-136055
O1[C@H]2[C@@H]1C=C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(=O)c1ccccc1	PC-id_14351132	336.338	NTIVWSPNPIZTPQ-XSLAGTTESA-N	00100000000011110000010000000000000000000000000000000000	22-01-136056
O1[C@@H]2[C@H]1C=C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(=O)c1ccccc1	PC-id_14351133	336.338	NTIVWSPNPIZTPQ-XDNAFOTISA-N	00100000000011110000010000000000000000000000000000000000	22-01-136057
O1[C@H]2[C@@H]1[C@H](OC(=O)c1ccccc1)C=C[C@@H]2OC(=O)c1ccccc1	PC-id_12552384	336.338	GCXFBZYBGRONFV-FZDBZEDMSA-N	00100000000011110000010000000000000000000000000000000000	22-01-136058
O1[C@H]2[C@@H]1[C@@H](OC(=O)c1ccccc1)C=C[C@H]2OC(=O)c1ccccc1	PC-id_12552386	336.338	GCXFBZYBGRONFV-USTZCAOPSA-N	00100000000011110000010000000000000000000000000000000000	22-01-136059
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BrCC1N2C(C2CO[Si](C(C)(C)C)(C)C)C(O)C1	PC-id_74347790	336.341	LBGYCENUOKCUBA-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-136061
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ClCC[C@H]1C(=O)NC23[C@]1(C)C2(OC3=O)[C@H](C1=CCC[C@H]2[C@@H]1C2)O	PC-id_117743772,SCHEMBL16299676	337.798	MQPUSGWKYZTIJQ-LKKNDEHDSA-N	00101010000011000000010000000000000000000000000000000000	22-01-136841
COc1ccc(cc1Cl)C(C(=O)O)NC(=O)C1C2C1CCCC2	PC-id_121962859	337.798	NXXALCQIYNSDGL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136842
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccnc(Cl)c3)[C@H]2C1	ZINC22_295550159,MCULE-3268945857	337.801	ZVWDRYNPWHHWPV-PJXYFTJBSA-N	00100010000000101000010000000000000000000000000000000000	22-01-136843
CC(Oc1ccc(c(n1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cl)C	EMOLS-id_319650827	337.801	PJWVOMVYWQLRHM-HWPZZCPQSA-N	00100000000010101000010000000000000000000000000000000000	22-01-136844
CC(Oc1ncc(cc1Cl)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	EMOLS-id_319951986,MCULE-5747357889	337.801	IVWFNEIDSUZKQQ-BZNIZROVSA-N	00100000000010101000010000000000000000000000000000000000	22-01-136845
OC[C@]12C[C@H]1CCCN2C(=O)CNC(=O)Nc1cccc(c1)Cl	EMOLS-id_319866707	337.801	HMCZDJFKDFAWTC-BDJLRTHQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136846
O=C(N1C[C@@H]2[C@H](C1)C2NC(=O)c1ccnc(c1)Cl)OC(C)(C)C	PC-id_122151787	337.801	ZVWDRYNPWHHWPV-QYJAPNMZSA-N	00100010000000101000010000000000000000000000000000000000	22-01-136847
OCC12CN(CC1C2)C(=O)c1cn(nc1c1ccc(s1)Cl)C	EMOLS-id_318663527	337.824	AEZPUNKQKFKOJN-UHFFFAOYSA-N	00100010100100000001110000000000000000000000000000000000	22-01-136848
CC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2C[C@@H]3C[C@@H]3N2C(=O)[O-]	PC-id_152126435	338.015	VGHKRUFGKYCSDR-CIUDSAMLSA-M	00100010000000101000010000000000000000000000000000000000	22-01-136849
CC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)[O-]	PC-id_154519290	338.015	LCFGHUBSQIJAAI-MRTMQBJTSA-M	00100010000000101000010000000000000000000000000000000000	22-01-136850
C1[C@@H]2C[C@@H]2N([C@@H]1CNC(=O)C3=CC(=CC=C3)Br)C(=O)O	PC-id_153879613	338.027	IQRMZQXPDHIYIC-USWWRNFRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136851
CC1=C(N=C(C=C1)Br)NC(=O)C2CC3(CC3N2)C(=O)N	PC-id_153456652	338.038	DPYQQDAPTVYDSG-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-136852
ClC(c1cc(Cl)c(cc1F)Br)C1C2C1CCC2	PC-id_105399759	338.043	LBDXGSMPDRHNLG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136853
ClC(c1cc(Cl)c(cc1F)Br)C1CC2C(C1)C2	PC-id_105399762	338.043	OGIAVFBIMZINLY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136854
CC1(CCCC1)OC(=O)C(C)(C)C23NI2N3	PC-id_154469707	338.049	ACFCIBLHJFXWLH-UHFFFAOYSA-N	00100010000000000001010000000000000000000000000000000000	22-01-136855
Clc1cc(Cl)c(c(c1C(=O)C1C2C1CCCC2)Cl)Cl	PC-id_105349279	338.056	RNKHPXZOXYMZCD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136856
Brc1ccc(s1)C(C12COCC1C2)Br	MCULE-7911074387	338.059	RKBQTNQVJUEPQK-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-136857
Brc1ccsc1C(C12COCC1C2)Br	MCULE-8723880106	338.059	NUAXZCRNFFRYKH-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-136858
C1C2C(C2CNC(=O)O)CN1CCC3=CC=C(C=C3)Br	PC-id_154998442	338.063	RXDBCPNMTZCBQE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136859
C1CC(C[C@@H]1C1CC=C(C=C1)Br)CN1C2[C@H](O2)NC1=O	PC-id_163793696	338.063	MYYWJTMDTXMNPP-XKKYWNAESA-N	00100010000011000001110000000000000000000000000000000000	22-01-136860
CC(=O)O[I](C12C=CC=CC1O2)OC(=O)C	PC-id_141300339	338.096	HXGMJNKHPBVQCG-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-136861
BrC1(Br)C2C1CCCCCCCCCC2	PC-id_12759807	338.122	IQANEUMZROKYSU-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-136862
BrC1(Br)C2C(C2)CCCCCCCCC1	SCHEMBL11713980,PC-id_21452187	338.122	CIAUFNADZGGPLI-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-136863
CC12[C@H](C(=O)CC13C2(OC3=O)[C@H]([C@H]4CCC[C@H]5[C@@H]4C5)O)CCCl	PC-id_160381337	338.128	TVYUTTPIOIBYJU-VGJNUPODSA-N	00101010000010000000010000000000000000000000000000000000	22-01-136864
CCOC(=O)C1C2C1(CNC2)CNS(=O)(=O)C3=CC=C(C=C3)C	PC-id_162367554	338.13	PNBFQPODTOEYKI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136865
CNS(=O)(=O)C1C2C1CCN(CC2)C(=O)OCC3=CC=CC=C3	PC-id_153361830	338.13	QRACTAWDVLKXBS-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-136866
COc1c(Cl)cc(c(c1C(=O)N1CC2C(C1)C2(F)F)Cl)O	MCULE-3710809535,EMOLS-id_319952555	338.134	YMDOHODTJGHGDE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136867
C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3C[C@@H]4[C@H](C3)C4C(=O)O	PC-id_153315635	338.134	BBXHAOOERYAUBY-KOCGSPDRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136868
COC1=CC=CC(=C1)C2=NOC(=C2)C(=O)N3CC4CC4(C3)CNC#N	PC-id_165034610	338.138	NEPCSWSPZHKPKR-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-136869
COC1=CC=C(C=C1)C2=NOC(=C2)C(=O)N3CC4CC4(C3)CNC#N	PC-id_165037314	338.138	NOVSIBVFHAZEAW-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-136870
IC12C(C1)(C(=O)OC2CCCC)C(=O)OC	PC-id_73043062	338.139	QUWGYKSIFIIQSZ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-136871
I[C@@]12[C@@](C1)(C(=O)O[C@H]2CCCC)C(=O)OC	PC-id_11652967	338.139	QUWGYKSIFIIQSZ-XROYCOCOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-136872
Brc1cc(C(=O)CN2C(=O)C3C(C3)C2=O)ccc1OC	PC-id_64835123	338.153	MKXGDTRKMUPQEW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136873
COC(=O)c1ccc(c(c1)Br)CN1C(=O)C2C(C1=O)C2	PC-id_102766248	338.153	UAQJOZQVVZECBE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136874
Brc1c(NC(=O)CN2C(=O)C3C(C3)C2=O)ccc(N)c1	PC-id_64836784	338.157	WAFXRKSNQYKCCR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136875
NNC(=O)c1ccc(c(c1)Br)CN1C(=O)C2C(C1=O)C2	PC-id_102774866	338.157	MBYWWSNSXLKGQC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136876
C1CC2C(O2)CC1CCOC(=O)C1CCC(CC2C(C1)O2)C(=O)O	PC-id_163716098	338.173	KNLVHCLFAUOMMM-UHFFFAOYSA-N	00100000000010000100010000000000000000000000000000000000	22-01-136877
COC(=C)C(=O)OC1CCC(CC1)COC(=O)C1CCC2C(C1)O2	PC-id_163964041	338.173	SKBDFNARUHMNBY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-136878
CC(C)(C(O)OC1CCCCC1C(C)(C(F)(F)F)O)C23C(N2)N3	PC-id_153669295	338.182	MLDCJJSOKLZJIQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-136879
CC(=CCOC(=O)C1=CC=CC=C1)C=CC23C(CC=CC2(O3)C)(C)C	PC-id_154350601	338.188	AVZYRXZJOKYSKW-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-136880
CCCCCCCCCCCCOC12C=CC=CC1(S2)C(=O)O	PC-id_154275597	338.192	ZZXGRCUCWNIRGA-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-136881
CCCCCCCCCCCCOC(=O)C12C=CC=CC1(S2)O	PC-id_154107348	338.192	CCMPZBFRWGHHOH-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-136882
Brc1ccc(cc1)C(C(=O)O)NC(=O)C1C2C1CCC2	MCULE-2279388048,EMOLS-id_72059952,PC-id_120194158	338.196	ZHZCCXYGJCNSBA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136883
Brc1cc(cc(c1)C(=O)O)C(=O)N1CC2C(C1)C2(C)C	MCULE-9413796467,PC-id_121779207,EMOLS-id_72168998	338.196	BGHLXRJNENEPAW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136884
Brc1ccc(C(=O)COC(=O)C2N(C3C(C3)C2)C)cc1	PC-id_76619489	338.196	JHVUVSZGQRZPGC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136885
Brc1ccc(C(=O)COC(=O)[C@H]2N([C@H]3[C@H](C3)C2)C)cc1	PC-id_57816449	338.196	JHVUVSZGQRZPGC-RTXFEEFZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136886
Brc1cc(CN2C(=O)C3C(C3C2=O)(C)C)ccc1OC	PC-id_64836066	338.196	SVORXLWDODCZTJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136887
Brc1cc(CN2C(=O)C3C(C3C2=O)(C)C)c(OC)cc1	PC-id_64836253	338.196	KVRWYPVHMUJWLK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136888
Brc1ccc(OCCN2C(=O)C3C(C3C2=O)(C)C)cc1	PC-id_64835881	338.196	QOZRVJUQFVRPTR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136890
Brc1c(CN2C(=O)C3C(C3C2=O)(C)C)cc(OC)cc1	PC-id_65326470	338.196	AVODHLGBSLJCIJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136891
Brc1cc(NC(=O)C2C3C2CCCC3)c(cc1)C(=O)O	PC-id_81623961	338.196	XIAUYXXWEZGHKK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136892
Brc1cc(NC(=O)C2C3C2CCCC3)cc(c1)C(=O)O	PC-id_81624459	338.196	ANZDROHWIRRHSG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136893
Brc1cc(OCCN2C(=O)C3C(C3C2=O)(C)C)ccc1	PC-id_64836064	338.196	KIHDMDOYRGVSAL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-136894
Brc1c(NC(=O)C2C3C2CCCC3)ccc(c1)C(=O)O	PC-id_81624265	338.196	NNXQHNPOTRQEAD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136895
Brc1c(NC(=O)C2C3C2CCCC3)c(ccc1)C(=O)O	PC-id_81624928	338.196	VPBUCPHKGSBBLB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136896
O=C(C1C2C1CCC2)Nc1cc(Br)cc(c1C)C(=O)O	EMOLS-id_316548455	338.196	BXAHVWJDFONEQY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136897
O=C(C1C2C1CCC2)Nc1cc(C(=O)O)c(cc1C)Br	EMOLS-id_257954837,MCULE-4005925859	338.196	OYGCQXKLJYXXON-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136898
O=C(C1C2C1CCCC2)Nc1cc(ccc1Br)C(=O)O	PC-id_107812621	338.196	QJMOXZJOMBXUIO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136899
Brc1cc(c(NC(=O)C2C3C2CCC3)cc1)C(=NO)N	PC-id_82703876	338.2	KVVJEURLOPBUIK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136900
Brc1cc(c(NC(=O)C2CC3C(C3)C2)cc1)C(=NO)N	PC-id_82704250	338.2	YTZUYODYURRGAZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136901
Brc1ccc(o1)c1nnc(o1)CNC1CCCC2C1C2	EMOLS-id_318244460,MCULE-4402805666	338.2	BOFDASQBYYJYGU-UHFFFAOYSA-N	00100000101010000001110000000000000000000000000000000000	22-01-136902
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cncc(c1C)Br	EMOLS-id_319569466	338.2	HKNRSUCZAVTEPO-OTYXRUKQSA-N	00100000000010101000010000000000000000000000000000000000	22-01-136903
O/N=C(c1ccc(c(c1)Br)NC(=O)C1C2C1CCC2)/N	PC-id_107790749	338.2	HQGSCRBGWXICID-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136904
O/N=C(c1ccc(c(c1)Br)NC(=O)C1CC2C(C1)C2)/N	PC-id_107790702	338.2	IAWCJIAHLRMUPG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136905
O/N=C(c1ccc(cc1NC(=O)C1C2C1CCC2)Br)/N	PC-id_107800578	338.2	CNIMLQWDDOUEBO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136906
O/N=C(c1ccc(cc1NC(=O)C1CC2C(C1)C2)Br)/N	PC-id_107800660	338.2	VDIXTVKHZUMNCN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136907
C/C/1=CCC[C@]2([C@@H](O2)C([C@@H]([C@@H](C1)OC(=O)C)C(C)C)OC(=O)C)C	PC-id_165367116	338.209	DRGFRBPYLMWXJS-IIPGHRFMSA-N	00100000000000000110010000000000000000000000000000000000	22-01-136908
CC1CCCC2C(O2)(CCOC(=O)C=CC(C(=O)C(C1)C)(C)C)O	SCHEMBL5669561,PC-id_154345583,PC-id_87873100	338.209	MVVQNBMNVBNMJD-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-136909
B(CCCC1CN(C[C@]1(C(=O)O)N)C(=N)[C@@]12CC1CCCN2)(O)O	PC-id_163762625	338.213	LZMXETBHCTWXNC-RLNQVHQUSA-N	00100010000010000000010000000000000000000000000000000000	22-01-136910
CC1C#CC2C(C1)(COC(=O)c1c(Cl)cncc1Cl)C2(C)C	PC-id_139618371	338.228	LRLZHCMXUSVZST-UHFFFAOYSA-N	00100000000011101000010000000000000000000000000000000000	22-01-136911
Brc1c(CC2(CC3C(C3)C2)CNC2CC2)ccc(F)c1	PC-id_80470485	338.258	FWBLZVWGFFOADK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136934
C1C(CC2C1C2)CN(Cc1ccccc1Br)CC(=O)O	MCULE-2163505191,EMOLS-id_317056278,PC-id_136573217	338.239	TUNKYBAWXGSXOK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136912
OC[C@]12C[C@H]1CCCN2C(=O)c1cc(C)cc(c1Br)C	EMOLS-id_319517801	338.239	CMQGHYPYGAELBN-MLGOLLRUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136913
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccc(cc1C)Br	EMOLS-id_319464308	338.239	OCAPDCFUDJGIHG-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136914
O=C(O)CN(Cc1ccccc1Br)CC1C[C@H]2C[C@@H]2C1	ZINC22_1615553601	338.239	TUNKYBAWXGSXOK-KBPBESRZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136915
O=C(O)CN(Cc1ccccc1Br)CC1C[C@@H]2C[C@H]2C1	ZINC22_1615553610	338.239	TUNKYBAWXGSXOK-ZIAGYGMSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136916
O=C(O)CN(Cc1ccccc1Br)C[C@H]1C[C@@H]2C[C@@H]2C1	ZINC22_1615553609	338.239	TUNKYBAWXGSXOK-UBSAEIQESA-N	00100010000010110000010000000000000000000000000000000000	22-01-136917
Brc1cc(C(NC(=O)C2CC3C(C3)C2)C)ccc1OC	PC-id_80471523	338.24	SXNUIUXBPQPLIS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136918
Brc1cc(CN(C(=O)C2CC3C(C3)C2)C)c(OC)cc1	PC-id_80471556	338.24	RBPCFQKIQLPRBD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136919
Brc1ccc(OCCN(C(=O)C2CC3C(C3)C2)C)cc1	PC-id_80471609	338.24	NRZCWYRJQHFIJI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136920
CCOc1ccc(cc1CBr)NC(=O)C1C2C1CCC2	PC-id_114313654	338.24	DRLOCPAIIKCCCX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136921
CCOc1ccc(cc1CBr)NC(=O)C1CC2C(C1)C2	PC-id_114313671	338.24	PFLXWXINHADZCM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136922
OC[C@]12C[C@H]1CCCN2C(=O)CCc1ccccc1Br	EMOLS-id_319622515	338.24	OEQYOWHDCWWHHQ-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136923
OC[C@]12C[C@H]1CCCN2C(=O)CCc1cccc(c1)Br	EMOLS-id_319658405	338.24	MVHKFPOCTGHQLI-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136924
OCCC(c1ccccc1Br)NC(=O)C1C2C1CCC2	EMOLS-id_318123477	338.24	CIVYWQWQBXATGL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136925
Brc1cnc(nc1)CCN(C(=O)C1CCC2C(C1)C2)C	EMOLS-id_318894323	338.243	UJKVLUJPKKWHAH-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-136926
Brc1cnc(nc1)CCN(C(=O)C1CCCC2C1C2)C	EMOLS-id_319577123	338.243	MNZZLDDYTBOWQQ-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-136927
CCCc1cc(nc(c1)Br)NC(=O)[C@@H]1C[C@]2(C[C@H]2N1)C	SCHEMBL20487298,PC-id_135317505	338.243	HKDJOGNQGUUJNJ-RWSFTLGLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-136928
CC(C)c1c(nc(cc1)Br)NC(=O)[C@@H]1C[C@]2(C[C@H]2N1)C	PC-id_135318617	338.243	WZMHOLBSWJENMX-RWSFTLGLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-136929
CCN(Cc1ccccc1Br)C(=O)N[C@H]1[C@@H]2CNC[C@H]12	ZINC22_418673186,EMOLS-id_316867475,MCULE-9286388718	338.243	OLPUJILYGFIQBK-IMRBUKKESA-N	00100010000000110000010000000000000000000000000000000000	22-01-136930
CC1(CCC2C(C1)O2)COCCCCOCC3(CCC4C(C3)O4)C	PC-id_153849278	338.246	NXIYNYIDRVBCPI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-136931
CCCCCCC1C(O1)CCCC(=O)OCC2CC3C(O3)CC2C	PC-id_154173489	338.246	HHUNSYDLYXMXSI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-136932
Brc1c(CC2(CC3C(C3)C2)CNC2CC2)cccc1F	PC-id_81501268	338.258	KBLUPDWSHZVJTC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136933
Brc1c(CC2(CC3C(C3)C2)CNC2CC2)cc(F)cc1	PC-id_80470484	338.258	PESXQIQZWFIHLP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136935
Brc1cc(CC2(CC3C(C3)C2)CNC2CC2)ccc1F	PC-id_80470769	338.258	SCUKNKMDYFBKAD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136936
Brc1cc(CC2(CC3C(C3)C2)CNC2CC2)cc(F)c1	PC-id_80470635	338.258	RJUSTSXLSMRGFG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136937
Brc1cc(CC2(CC3C(C3)C2)CNC2CC2)c(F)cc1	PC-id_80470840	338.258	CXUWTNLRYKPZGT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136938
Brc1cc(F)c(CC2(CC3C(C3)C2)CNC2CC2)cc1	PC-id_80470778	338.258	WSSPWVIARFXPAN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136939
Brc1c(CC2(CC3C(C3)C2)CNCC)cc(OC)cc1	PC-id_80470236	338.283	YMJCCMNOIDTRND-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136940
Brc1c(CC2(CC3C(C3)C2)CNCCOC)cccc1	PC-id_80471935	338.283	DKJSLGALIUXUQL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136941
Brc1cc(CC2(CC3C(C3)C2)CNCC)ccc1OC	PC-id_80469974	338.283	NOEIJRLGJVYTAE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136942
Brc1cc(CC2(CC3C(C3)C2)CNCC)c(OC)cc1	PC-id_80469727	338.283	WUUDVQYWSFSQLU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136943
Brc1cc(CC2(CC3C(C3)C2)CNCCOC)ccc1	PC-id_80471936	338.283	ZTRVWHRZSKUAEM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136944
Brc1ccc(CC2(CC3C(C3)C2)CNCCOC)cc1	PC-id_80471915	338.283	WCORABGHVNOVIW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136945
Brc1cc(C(NC)C2C3C2CCCC3)c(OC)cc1C	PC-id_81631648	338.283	ZMUXTZBASRYISO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136946
Brc1cc(C(NC)C2C3C2CCCC3)c(OCC)cc1	PC-id_81624605	338.283	YSQHAKYFWCLVJI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136947
Brc1cc(C(NCC)C2C3C2CCC3)c(OC)cc1C	PC-id_81631748	338.283	CYDCZVDUHSKVHB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136948
Brc1cc(C(NCC)C2C3C2CCC3)c(OCC)cc1	PC-id_81624516	338.283	LFSAKCUJAICWDD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136949
Brc1cc(C(NCC)C2C3C2CCCC3)ccc1OC	PC-id_81624703	338.283	HTUBADPMBUJWNN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136950
Brc1cc(C(NCC)C2C3C2CCCC3)c(OC)cc1	PC-id_81624704	338.283	XFGYDFCEYSEVKE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136951
Brc1cc(C(NCC)C2CC3C(C3)C2)c(OC)cc1C	PC-id_80468741	338.283	PLKUEBRARAOUIO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136952
Brc1cc(C(NCC)C2CC3C(C3)C2)c(OCC)cc1	PC-id_80468727	338.283	PWNLAJCXFIFDLI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136953
Brc1cc(C(NCCC)C2C3C2CCC3)ccc1OC	PC-id_81624523	338.283	QRZVFQODELHPBA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136954
Brc1cc(C(NCCC)C2C3C2CCC3)c(OC)cc1	PC-id_81625122	338.283	NRXCFUTVFVIDRV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136955
Brc1cc(C(NCCC)C2CC3C(C3)C2)ccc1OC	PC-id_80468398	338.283	JEICGAITWBJEGZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136956
Brc1cc(C(NCCC)C2CC3C(C3)C2)c(OC)cc1	PC-id_80468420	338.283	ZCCHIHDBRLDWKV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136957
Brc1ccc(OCCC2(CC3C(C3)C2)CNCC)cc1	PC-id_80469785	338.283	IFXNHYYSPQPJBP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136958
Brc1c(C(NC)C2C3C2CCCC3)ccc(OCC)c1	PC-id_81631428	338.283	MNIYSYDUFLUNGM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136959
Brc1c(C(NCC)C2C3C2CCC3)ccc(OCC)c1	PC-id_81631536	338.283	LKPJSSIPWCONKV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136960
Brc1c(C(NCC)C2C3C2CCCC3)ccc(OC)c1	PC-id_81631302	338.283	HXMYQOWBEFQLPS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136961
Brc1c(C(NCC)C2CC3C(C3)C2)ccc(OCC)c1	PC-id_80468520	338.283	JXOSKXTYHREMCY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136962
Brc1c(C(NCCC)C2C3C2CCC3)ccc(OC)c1	PC-id_81631407	338.283	IWNMNKLUHVTOPK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136963
Brc1c(C(NCCC)C2CC3C(C3)C2)ccc(OC)c1	PC-id_80468784	338.283	OUPRXDMBOATJFO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136964
Brc1cc(OCCC2(CC3C(C3)C2)CNCC)ccc1	PC-id_80469907	338.283	RPGIADCOCMSWRD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136965
CCCOc1ccc(cc1Br)C(C1C2C1CCC2)NC	PC-id_104657958	338.283	AZURIFSZVFSPKK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136966
CCCOc1ccc(cc1Br)C(C1C2C1CCCC2)N	PC-id_104657914	338.283	JCCNIJOGFSJFFT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136967
CCCOc1ccc(cc1Br)C(C1CC2C(C1)C2)NC	PC-id_104657938	338.283	GQGOSBREGYHYQJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136968
CCNC(C1C2C1CCC2)c1ccc(c(c1)Br)OCC	PC-id_104657628	338.283	OUYDPPJGVQKZGR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136969
CCNC(C1C2C1CCC2)Cc1cc(Br)ccc1OC	PC-id_115817387	338.283	HTJACOKJYRFUBQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136970
CCNC(C1C2C1CCC2)Cc1ccc(c(c1)Br)OC	PC-id_115818135	338.283	XVBSUULVWFYNJT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136971
CCNC(C1C2C1CCC2)Cc1cc(OC)ccc1Br	PC-id_115862332	338.283	OQZMIDBSOQLOPB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136972
CCNC(C1CC2C(C1)C2)Cc1cc(Br)ccc1OC	PC-id_115816995	338.283	QLBBAKVOBNDDOL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136973
CCNC(C1CC2C(C1)C2)Cc1ccc(c(c1)Br)OC	PC-id_115817868	338.283	KXWMCIQBMWQVSF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136974
CCNC(C1CC2C(C1)C2)Cc1cc(OC)ccc1Br	PC-id_115862199	338.283	UZVRSPPFLHCCMG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136975
CCNC(c1ccc(c(c1)Br)OCC)C1CC2C(C1)C2	PC-id_104657608	338.283	BTXLVOAUPKYRJV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136976
CCOc1ccc(cc1Br)C(C1C2C1CCCC2)NC	PC-id_104657584	338.283	OFEFJKREYVRCCI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136977
CNC(C1C2C1CCCC2)Cc1cc(Br)ccc1OC	PC-id_115816977	338.283	ZLELLIKWPQAUFD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136978
CNC(C1C2C1CCCC2)Cc1ccc(c(c1)Br)OC	PC-id_115817858	338.283	BXSMTCYZGXCNEM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136979
CNC(C1C2C1CCCC2)Cc1cc(OC)ccc1Br	PC-id_115862191	338.283	USNLZTFKZSYLQJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136980
CNC(c1c(OC)c(C)cc(c1C)Br)C1C2C1CCC2	PC-id_104051867	338.283	WVLYVVZXIHPUPX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136981
CNC(c1c(OC)c(C)cc(c1C)Br)C1CC2C(C1)C2	PC-id_104051826	338.283	LVAYBHJZOHBQCR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136982
COc1c(C)cc(c(c1C(C1C2C1CCCC2)N)C)Br	PC-id_104051722	338.283	HWRWLTXPNPPILH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-136983
Brc1c(n(nc1C)C)CC1(CC2C(C2)C1)CNC1CC1	PC-id_80470447	338.286	BIERRVURVNGCCB-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-136984
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)OC(=O)N(c1ccccc1)F	PC-id_88041873	338.288	KIQUNFSZXPYZLQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136985
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)OC(=O)Nc1ccccc1F	PC-id_90926019,SCHEMBL6787502	338.288	QCNFZWUJDWPTCC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136986
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)OC(=O)Nc1cc(ccc1)F	PC-id_91242786,SCHEMBL6795427	338.288	USRFROQUWSCRHF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136987
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)OC(=O)Nc1ccc(cc1)F	SCHEMBL6794006,PC-id_91314051	338.288	MOAUAYFRQJVPHD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136988
Fc1ccc(NC(=O)OC2C3C([C@H]3C(=O)O)C(N)(C2)C(=O)O)cc1	PC-id_69934894,SCHEMBL6911319	338.288	MOAUAYFRQJVPHD-RMCSDEMFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136989
Fc1ccc(NC(=O)O[C@@H]2[C@@H]3[C@@H]([C@H]3C(=O)O)[C@@](N)(C2)C(=O)O)cc1	PC-id_60096233,SCHEMBL6794011	338.288	MOAUAYFRQJVPHD-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-136990
Fc1cc(NC(=O)OC2C3C([C@H]3C(=O)O)C(N)(C2)C(=O)O)ccc1	SCHEMBL6909806,PC-id_69934502	338.288	USRFROQUWSCRHF-RMCSDEMFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136991
Fc1cc(NC(=O)O[C@@H]2[C@@H]3[C@@H]([C@H]3C(=O)O)[C@@](N)(C2)C(=O)O)ccc1	SCHEMBL6795431,PC-id_60096226	338.288	USRFROQUWSCRHF-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-136992
Fc1c(NC(=O)OC2C3C([C@H]3C(=O)O)C(N)(C2)C(=O)O)cccc1	PC-id_69934477,SCHEMBL6909715	338.288	QCNFZWUJDWPTCC-RMCSDEMFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136993
Fc1c(NC(=O)O[C@@H]2[C@@H]3[C@@H]([C@H]3C(=O)O)[C@@](N)(C2)C(=O)O)cccc1	SCHEMBL6787505,PC-id_60096180	338.288	QCNFZWUJDWPTCC-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-136994
FN(c1ccccc1)C(=O)OC1CC(C2C1[C@@H]2C(=O)O)(N)C(=O)O	SCHEMBL6909718	338.288	KIQUNFSZXPYZLQ-RMCSDEMFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136995
FN(c1ccccc1)C(=O)O[C@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O	SCHEMBL6787513	338.288	KIQUNFSZXPYZLQ-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-136996
O=C(Nc1ccccc1F)O[C@H]1C[C@@](C2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O	PC-id_142165103	338.288	QCNFZWUJDWPTCC-MDUZCOHBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136997
O=C(O[C@H]1C[C@@](C2C1[C@@H]2C(=O)O)(N)C(=O)O)Nc1ccc(cc1)F	PC-id_142165122	338.288	MOAUAYFRQJVPHD-MYNOPSJXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136998
OC(=O)C1C2C1C(CC2)(CP(=O)(Cc1ccccc1)O)C(=O)O	SCHEMBL7852008,PC-id_70207762	338.292	GTVHDPNCPFDAEP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-136999
c1c(cc2c(c1N)O2)Nc1nc(ncc1F)Nc1cc(c2c(c1)O2)N	SCHEMBL6016902,PC-id_87926414	338.296	GBTWIUMLDKUKJY-UHFFFAOYSA-N	00100000000000100001010000000000000000000000000000000000	22-01-137000
Cn1ncc(c1)c1noc(c1)C(=O)NC[C@]12OCCC[C@H]1C2(F)F	EMOLS-id_319114675	338.309	PEYWXCBTSOUDNR-OCCSQVGLSA-N	00100000100010000001110000000000000000000000000000000000	22-01-137001
Brc1ccc(cc1)C(=O)N1CC[C@@H]2[C@]1(C2)[Si](C)(C)C	PC-id_99864383	338.315	AMPMAEGMFLVNFP-WFASDCNBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137002
Brc1ccc(cc1)C(=O)N1CC[C@@H]2[C@@]1(C2)[Si](C)(C)C	PC-id_99864384	338.315	AMPMAEGMFLVNFP-SWLSCSKDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137003
Brc1ccc(cc1)C(=O)N1CC[C@H]2[C@]1(C2)[Si](C)(C)C	PC-id_99864385	338.315	AMPMAEGMFLVNFP-DOMZBBRYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137004
Brc1ccc(cc1)C(=O)N1CC[C@H]2[C@@]1(C2)[Si](C)(C)C	PC-id_99864386	338.315	AMPMAEGMFLVNFP-IUODEOHRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137005
Brc1ccc(C(=O)N2C3([Si](C)(C)C)C(C3)CC2)cc1	PC-id_5232234	338.315	AMPMAEGMFLVNFP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137006
COC(=O)[C@]12C[C@]1(CN(C2)C(=O)CCc1n[nH]c(=O)[nH]1)C(=O)OC	ZINC22_2356153406,EMOLS-id_337807938	338.316	FIHPNUSJCHETQI-OKILXGFUSA-N	00100010100000000001010000000000000000000000000000000000	22-01-137007
FC(F)(F)C(O)CNC(=O)C12C(C1)CN(C2)C(=O)OC(C)(C)C	PC-id_71250461,SCHEMBL14683610	338.323	ICFHFITUSLIVBV-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137008
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)C1CC1c1cc(F)c(c(c1)F)F	EMOLS-id_319719379	338.324	RUOKRVPCFJSSOT-JOQPYANUSA-N	00100000000010110000110000000000000000000000000000000000	22-01-137009
CCOC(=O)[C@@]1(F)[C@H]2[C@@H]1[C@@]([C@@H](C2)O)(O)C(=O)OCc1ccccc1	PC-id_11739233,SCHEMBL4966008	338.328	MXAHEVCGSACCPT-XIUQWWLSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137010
FC1(C2C1CC(O)C2(O)C(=O)OCc1ccccc1)C(=O)OCC	PC-id_73081031	338.328	MXAHEVCGSACCPT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137011
O=C(c1scc(n1)c1cccc(c1)C(F)(F)F)N1CC2C(C1)C2	EMOLS-id_319377111	338.347	VUVBRIHZZRRINK-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-137012
Cc1c(S(=O)(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cnn1C	ZINC22_1615058748,EMOLS-id_316740041,MCULE-3655899421	338.349	QOSNAMBCEHEHJT-GHMZBOCLSA-N	00100010100000000001010000000000000000000000000000000000	22-01-137013
Cc1nc(S(=O)(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cn1C	ZINC22_1615059284,EMOLS-id_316743626,MCULE-7446560292	338.349	ZHXZJYVJJCFACF-GHMZBOCLSA-N	00100010100000000001010000000000000000000000000000000000	22-01-137014
CCn1cc(S(=O)(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cn1	MCULE-6205522788,ZINC22_1615057486,EMOLS-id_316742602	338.349	HLAGMAKVAWMKRK-GHMZBOCLSA-N	00100010100000000001010000000000000000000000000000000000	22-01-137015
CCn1cncc1S(=O)(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2	MCULE-3652849258,ZINC22_1615056764,EMOLS-id_316742857	338.349	AEOJDKCQUAWQCI-GHMZBOCLSA-N	00100010100000000001010000000000000000000000000000000000	22-01-137016
COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	ZINC22_1875330391	338.349	PULIHVQZSFQCAT-RFQIPJPRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137017
COC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	ZINC22_1875330392	338.349	PULIHVQZSFQCAT-RQJABVFESA-N	00100010000000110000010000000000000000000000000000000000	22-01-137018
FC(Oc1c(C)cc(cc1C)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)F	EMOLS-id_319702602	338.349	DCHYXDBPIWNQCH-PXAZEXFGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137019
Cc1cc(O)nc(N2CCN(C(=O)[C@@H]3CC[C@H]4[C@H]3C4(F)F)CC2)n1	ZINC22_2325781238	338.352	ZWTUDCKBSBEMLV-MDZLAQPJSA-N	00100010000010100001110000000000000000000000000000000000	22-01-137020
Cc1cc(O)nc(N2CCN(C(=O)[C@@H]3CC[C@@H]4[C@@H]3C4(F)F)CC2)n1	ZINC22_2325781239	338.352	ZWTUDCKBSBEMLV-NQBHXWOUSA-N	00100010000010100001110000000000000000000000000000000000	22-01-137021
Cc1cc(O)nc(N2CCN(C(=O)[C@@H]3CC[C@H]4[C@@H]3C4(F)F)CC2)n1	ZINC22_2325781240	338.352	ZWTUDCKBSBEMLV-NTZNESFSSA-N	00100010000010100001110000000000000000000000000000000000	22-01-137022
Cc1cc(O)nc(N2CCN(C(=O)[C@@H]3CC[C@@H]4[C@H]3C4(F)F)CC2)n1	ZINC22_2325781241	338.352	ZWTUDCKBSBEMLV-WZRBSPASSA-N	00100010000010100001110000000000000000000000000000000000	22-01-137023
COC(=O)/C=CC(=O)OCC(C1CCC2C(C1)O2)OC(=O)C(=C)C	PC-id_141276966	338.352	JKOJPVYAAFSDDG-SREVYHEPSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137024
COC(=O)/C=CC(=O)OC/C=C(/C(=O)OCC1CCC2C(C1)O2)C	PC-id_140220300	338.352	CVYKQWJHKQQBGI-GNLLZQBYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137025
COC(=O)[C@H]1O[C@]2(O)[C@]([C@H]([C@@H]1O)OCc1ccccc1)(C2(C)C)O	SCHEMBL2685627,PC-id_67497305	338.352	VZIXMCJFVOSHQM-BCBCSNLJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137026
O1C2(O)C(O)(C2(C)C)C(OCc2ccccc2)C(O)C1C(=O)OC	PC-id_77303541	338.352	VZIXMCJFVOSHQM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137027
O=C(c1ccccc1)O[C@@H]1CC2OC2C[C@@H]1OC(=O)c1ccccc1	PC-id_100927489	338.354	UQODVEVMQGSVJI-OWCVQMPJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137028
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O(C1(OCC)N=C(N)C2(C(C12C#N)(Cc1ccccc1)C)C#N)CC	PC-id_78737538	338.404	RGJADPDYXJFIMZ-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-137196
O(C1(OCC)N=C(N)[C@]2([C@@]([C@@]12C#N)(Cc1ccccc1)C)C#N)CC	PC-id_8610294	338.404	RGJADPDYXJFIMZ-OKZBNKHCSA-N	00100011000000110000010000000000000000000000000000000000	22-01-137197
O(C1(OCC)N=C(N)[C@]2([C@]([C@@]12C#N)(Cc1ccccc1)C)C#N)CC	PC-id_8610299	338.404	RGJADPDYXJFIMZ-FGTMMUONSA-N	00100011000000110000010000000000000000000000000000000000	22-01-137198
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)Nc1nccc(n1)C	EMOLS-id_319029367	338.404	GHXOQWKBHFCFID-DNVCBOLYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-137199
OCC[C@@H]1C[C@H]2C[C@H]2CN1C(=O)c1nc(C)ccc1c1ncccn1	SCHEMBL610382,PC-id_66742802	338.404	OVZIOFDETQOIDC-QLFBSQMISA-N	00100000000010101001110000000000000000000000000000000000	22-01-137200
OC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)NCc1ccc(cc1)Nc1ccncc1	EMOLS-id_316681726	338.404	UQHZNFYWDBYLBP-PIIMJCKOSA-N	00100010000000111000010000000000000000000000000000000000	22-01-137201
O=C(N1CC2C(C2)CC1CCO)c1nc(ccc1c1ncccn1)C	PC-id_77183653	338.404	OVZIOFDETQOIDC-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-137202
O=C(NC1C2C1CC=CC2)Nc1c(n(n(c1=O)c1ccccc1)C)C	PC-id_545043	338.404	LXVINRCSQBBBAB-UHFFFAOYSA-N	00100000100011110001110000000000000000000000000000000000	22-01-137203
O=C(N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)CCn1cnccc1=O	EMOLS-id_319576270	338.404	HNKUXRFZVGPUPC-MNZLEMJZSA-N	00100010000000110001010000000000000000000000000000000000	22-01-137204
CC(CC(N(C(C)(C)C)C(=O)O)(C)C)COc1c(C)nc2-c1c2F	PC-id_118420491	338.417	DUFATDFKCXSGDD-UHFFFAOYSA-N	00110010100000100000010000000000000000000000000000000000	22-01-137205
CCN(C(c1ccc(cc1)F)c1cccnc1)C(=O)C1C2C1CCC2	PC-id_75424458,MCULE-6341098886,EMOLS-id_48250112	338.419	JIFBHEAKSHKMJH-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137206
CC(=O)OC1CCC(CC1O)CCCCCCC1CCC2C(C1)O2	PC-id_87539575,SCHEMBL3541260	338.482	OWPUTEFLGXWIFT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137412
CCN(C(c1ccccn1)c1ccc(cc1)F)C(=O)C1C2C1CCC2	PC-id_84585811,EMOLS-id_49092494,MCULE-5013771596	338.419	JKSOGEZRANEEKH-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137207
CCN([C@@H](c1ccc(cc1)F)c1cccnc1)C(=O)C1[C@@H]2[C@H]1CCC2	PC-id_97319741	338.419	JIFBHEAKSHKMJH-XNMUZJSGSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137208
CCN([C@H](c1ccc(cc1)F)c1cccnc1)C(=O)C1[C@@H]2[C@H]1CCC2	PC-id_97319742	338.419	JIFBHEAKSHKMJH-JIRNRHONSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137209
CCN([C@H](c1ccccn1)c1ccc(cc1)F)C(=O)C1[C@@H]2[C@H]1CCC2	PC-id_97593041	338.419	JKSOGEZRANEEKH-KCEMCGNKSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137210
CCN([C@@H](c1ccccn1)c1ccc(cc1)F)C(=O)C1[C@@H]2[C@H]1CCC2	PC-id_97593042	338.419	JKSOGEZRANEEKH-HLTCZBPJSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137211
CCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(F)cc1)c1ccccn1	PC-id_100900530,ZINC22_230156877	338.419	JKSOGEZRANEEKH-MBOZVWFJSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137212
CCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@@H](c1ccc(F)cc1)c1ccccn1	ZINC22_195534806,PC-id_99848266	338.419	JKSOGEZRANEEKH-HLIPFELVSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137213
CCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@@H](c1ccc(F)cc1)c1cccnc1	PC-id_100074872,ZINC22_221830670	338.419	JIFBHEAKSHKMJH-GGPKGHCWSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137214
CCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(F)cc1)c1cccnc1	PC-id_100900866,ZINC22_230162212	338.419	JIFBHEAKSHKMJH-QWFCFKBJSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137215
CCN(C(=O)[C@@H]1[C@H]2CCC[C@@H]12)[C@@H](c1ccc(F)cc1)c1ccccn1	ZINC22_245312473	338.419	JKSOGEZRANEEKH-CUDHKJQZSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137216
CCN(C(=O)[C@@H]1[C@H]2CCC[C@@H]12)[C@H](c1ccc(F)cc1)c1ccccn1	ZINC22_252486363	338.419	JKSOGEZRANEEKH-LCLWPZTBSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137217
CCN(C(=O)[C@@H]1[C@H]2CCC[C@@H]12)[C@H](c1ccc(F)cc1)c1cccnc1	ZINC22_252511671	338.419	JIFBHEAKSHKMJH-FUMNGEBKSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137218
CCN(C(=O)[C@@H]1[C@H]2CCC[C@@H]12)[C@@H](c1ccc(F)cc1)c1cccnc1	ZINC22_252511672	338.419	JIFBHEAKSHKMJH-NMLBUPMWSA-N	00100010000010111000010000000000000000000000000000000000	22-01-137219
Fc1c(cc(c2c(C(=O)N3C(C4C(C4)C3)CN)cc(cc2)C)cc1)C	PC-id_77501042	338.419	JQEPJLQBLPXUCT-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-137220
Fc1c(cc(c2c(C(=O)N3C(C4C(C4)C3)CN)cccc2C)cc1)C	PC-id_77501144	338.419	BKNMRNLRAXIVGF-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-137221
Fc1c(cc(c2c(C(=O)N3C(C4C(C4)C3)CN)ccc(c2)C)cc1)C	PC-id_77501216	338.419	BCARDCYSNNTWTH-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-137222
Fc1c(cc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)CN)cc(cc2)C)cc1)C	PC-id_68443567,SCHEMBL2926254	338.419	JQEPJLQBLPXUCT-WRWLIDTKSA-N	00100010000000110000110000000000000000000000000000000000	22-01-137223
Fc1c(cc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)CN)cccc2C)cc1)C	PC-id_68444264,SCHEMBL2928151	338.419	BKNMRNLRAXIVGF-SZVBFZGTSA-N	00100010000000110000110000000000000000000000000000000000	22-01-137224
Fc1c(cc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)CN)ccc(c2)C)cc1)C	SCHEMBL2929658,PC-id_68444852	338.419	BCARDCYSNNTWTH-XFQXTVEOSA-N	00100010000000110000110000000000000000000000000000000000	22-01-137225
C12C(N1S(=O)(=O)c1ccc(C)cc1)CN(C(=O)OC(C)(C)C)C2	EMOLS-id_76750234,MCULE-3741289385,PC-id_101398092	338.422	KJCKSELTFQRCSN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137226
O1C2C1CCC(C2)COCCCCCCOCC1CC2OC2CC1	PC-id_86183294	338.482	BSIUOOFOIGCVSG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137413
Cc1ccc(S(=O)(=O)[N@]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1	ZINC22_1857776753	338.422	KJCKSELTFQRCSN-ZSBFGKGUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137227
Cc1ccc(S(=O)(=O)N2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1	ZINC22_514269697	338.422	KJCKSELTFQRCSN-KBPBESRZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137228
Cc1ccc(S(=O)(=O)N2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1	ZINC22_514269699	338.422	KJCKSELTFQRCSN-ZIAGYGMSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137229
CC(CNS(=O)(=O)c1ccc(cc1)C(=O)NC1CC2C(C1)C2)O	EMOLS-id_319975721,MCULE-1852019625	338.422	UEZQLEWBYKWGFW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137230
CC(COc1ccc(cc1)S(=O)(=O)/N=C/1NOC2(C1C2)C)(C)C	PC-id_142872015	338.422	YVOOJGYYFYMRPP-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-137231
CC(C)Oc1ccc(NC(=O)[C@@]23C[C@@H]2CCN(C)S3(=O)=O)cc1	PC-id_100784029,ZINC22_225953144	338.422	YMHFDCBYTONEMO-BLLLJJGKSA-N	00100000000010110001010000000000000000000000000000000000	22-01-137232
CC(C)Oc1ccc(NC(=O)[C@]23C[C@@H]2CCN(C)S3(=O)=O)cc1	PC-id_100784031,ZINC22_225953155	338.422	YMHFDCBYTONEMO-LRDDRELGSA-N	00100000000010110001010000000000000000000000000000000000	22-01-137233
CC(C)Oc1ccc(NC(=O)[C@@]23C[C@H]2CCN(C)S3(=O)=O)cc1	ZINC22_260842893	338.422	YMHFDCBYTONEMO-MLGOLLRUSA-N	00100000000010110001010000000000000000000000000000000000	22-01-137234
CC(C)Oc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)cc1	ZINC22_260842895	338.422	YMHFDCBYTONEMO-WBMJQRKESA-N	00100000000010110001010000000000000000000000000000000000	22-01-137235
CCNS(=O)(=O)c1ccc(cc1)C(=O)N1CCC[C@H]2[C@]1(CO)C2	EMOLS-id_320222187,MCULE-2816495156	338.422	TXRXYLYERLQGMH-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137236
CCNS(=O)(=O)c1cccc(c1)C(=O)N1CCC[C@H]2[C@]1(CO)C2	MCULE-2420274563,EMOLS-id_320224573	338.422	VLMGZIPZXAZRPJ-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137237
COc1cc(C)c(cc1C)S(=O)(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_320077405,MCULE-8045329381	338.422	LVNWVEBNKXTYNG-WBMJQRKESA-N	00100000000010110000010000000000000000000000000000000000	22-01-137238
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)NS(=O)(=O)CC	EMOLS-id_318785246	338.422	HKIFGFSUYYKVQE-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137239
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1)NS(=O)(=O)C)C	EMOLS-id_318901903	338.422	DMPTUZIOIZTJNB-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137240
OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)S(=O)(=O)N(C)C	EMOLS-id_319188495	338.422	UVRIGXNFCDYETI-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137241
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)S(=O)(=O)N(C)C	EMOLS-id_319829209,MCULE-1260890177	338.422	SDNKSLXJYXOONO-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137242
OC[C@]12C[C@H]1CCCN2C(=O)Cc1cccc(c1)NS(=O)(=O)C	EMOLS-id_319195569	338.422	GJGDPAHUTYQNGM-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137243
OC[C@]12C[C@H]1CCCN2C(=O)CCNS(=O)(=O)c1ccccc1	EMOLS-id_319780202	338.422	AMSBWSSLZIQDTP-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137244
OC[C@]12C[C@H]1CCCN2C(=O)CNc1ccc(cc1)S(=O)(=O)C	EMOLS-id_318903369	338.422	ZGIOAJZWXPDFTM-MLGOLLRUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137245
OC[C@]12C[C@H]1CCCN2C(=O)CNS(=O)(=O)c1ccc(cc1)C	MCULE-1539318236,EMOLS-id_320068903	338.422	RFZAOKZCRAZEJZ-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137246
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(cc1)CNC(=O)C	MCULE-1060900251,EMOLS-id_320154476	338.422	GKGDCCDQXNQXBF-GDBMZVCRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137247
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1cccc(c1)C(=O)N(C)C	MCULE-3518504366,EMOLS-id_320085967	338.422	WJKXFKXPNNTDKZ-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137248
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(c(c1)NC(=O)C)C	EMOLS-id_319146170	338.422	OIQPPEKSHXYATM-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137249
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(cc1)N(C(=O)C)C	EMOLS-id_319823958	338.422	GANSIPOAFVSTSH-CZUORRHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137250
O=C(c1cocc1)N1CCN(CC1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_319580315	338.422	BNHAYYVYNDBKQK-UHFFFAOYSA-N	00100000101010000001010000000000000000000000000000000000	22-01-137251
O=C(N1CC2C(C1)C2NCc1scc(c1)C(=O)O)OC(C)(C)C	PC-id_107238458	338.422	NPRKXPXJRAWKHS-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-137252
Cc1ccc(cc1)S(=O)(=O)N1CC2CC2(C1)C#Cc1ccccn1	SCHEMBL18810452,BindingDB-id_799483	338.423	HDFOBEKQKLSNKC-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-137253
CCOC(=O)C1C2C1(C(=CP2(=S)Sc1ccccc1)C)C	PC-id_135050011	338.425	IALGFHVSKOICNW-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-137254
CN(C)C(=O)CNc1cccc(S(=O)(=O)N2CCC[C@@H]3C[C@H]23)n1	ZINC22_1615046455	338.425	YTSARVLGOBGTOI-NEPJUHHUSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137255
CN(C)C(=O)CNc1cccc(S(=O)(=O)N2CCC[C@H]3C[C@@H]23)n1	ZINC22_1615046456	338.425	YTSARVLGOBGTOI-NWDGAFQWSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137256
CN(C)C(=O)CNc1cccc(S(=O)(=O)N2CCC[C@H]3C[C@H]23)n1	ZINC22_1615046458	338.425	YTSARVLGOBGTOI-RYUDHWBXSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137257
CN(C)C(=O)CNc1cccc(S(=O)(=O)N2CCC[C@@H]3C[C@@H]23)n1	ZINC22_1615046460	338.425	YTSARVLGOBGTOI-VXGBXAGGSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137258
CN(C(=O)CNc1cccc(n1)S(=O)(=O)N1CCCC2C1C2)C	EMOLS-id_317051428,MCULE-4725273864,PC-id_145879106	338.425	YTSARVLGOBGTOI-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137259
CNC(=O)CN(c1cccc(n1)S(=O)(=O)N1CCCC2C1C2)C	MCULE-4658861924,EMOLS-id_317054499,PC-id_136574962	338.425	SSYIXEXCRIJTDF-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137260
CNC(=O)CN(C)c1cccc(S(=O)(=O)N2CCC[C@@H]3C[C@H]23)n1	ZINC22_1615046385	338.425	SSYIXEXCRIJTDF-NEPJUHHUSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137261
CNC(=O)CN(C)c1cccc(S(=O)(=O)N2CCC[C@H]3C[C@@H]23)n1	ZINC22_1615046386	338.425	SSYIXEXCRIJTDF-NWDGAFQWSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137262
CNC(=O)CN(C)c1cccc(S(=O)(=O)N2CCC[C@H]3C[C@H]23)n1	ZINC22_1615046387	338.425	SSYIXEXCRIJTDF-RYUDHWBXSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137263
CNC(=O)CN(C)c1cccc(S(=O)(=O)N2CCC[C@@H]3C[C@@H]23)n1	ZINC22_1615046388	338.425	SSYIXEXCRIJTDF-VXGBXAGGSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137264
NC(=O)[C@]12C[C@H]1CCCN2S(=O)(=O)c1cnn(c1)C1CCCC1	EMOLS-id_318923195	338.425	WAYCQZIEOMZRHB-ABAIWWIYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-137265
NC(=O)[C@]12C[C@H]1CCCN2S(=O)(=O)c1cnn(c1)CC1CCC1	EMOLS-id_319922814,MCULE-8364895162	338.425	HFBIOYSGTWMVGT-DOMZBBRYSA-N	00101000100010000001010000000000000000000000000000000000	22-01-137266
O=C1CC(CN1c1cnn(c1)C)NS(=O)(=O)C1C2C1CCCC2	EMOLS-id_319346716	338.425	NBEBQRUQBNPKBU-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-137267
O=C1C(CCN1c1cnn(c1)C)NS(=O)(=O)C1C2C1CCCC2	MCULE-7415585929,EMOLS-id_320182142	338.425	XHOKPMPUKCYUOG-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-137268
O=C1CN(CCN1c1cnn(c1)C)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_318956892	338.425	UZZPHRWUUQMKSU-UHFFFAOYSA-N	00100000100010000001110000000000000000000000000000000000	22-01-137269
O=C(N1CCN(CC1)S(=O)(=O)c1n[nH]cc1)CC1CCC2C1C2	EMOLS-id_101733715	338.425	WNRKDDREECBFSQ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-137270
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C#N)C	SCHEMBL2926917,PC-id_68443832	338.427	TVVLLVZOPXZSAC-RBSFLKMASA-N	00100010100000110001110000000000000000000000000000000000	22-01-137271
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CN)c1cc(ccc1)C#N	PC-id_77501075	338.427	TVVLLVZOPXZSAC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-137272
CC1CCCC2OC2(O)CCOC(=O)/C=CC(C(=O)C(C1)C)(C)C	SCHEMBL5669555	338.438	MVVQNBMNVBNMJD-HJWRWDBZSA-N	00100000000000000110010000000000000000000000000000000000	22-01-137273
CC1CCCC2OC2(O)CCOC(=O)/C=C/C(C(=O)C(C1)C)(C)C	SCHEMBL5669558	338.438	MVVQNBMNVBNMJD-CMDGGOBGSA-N	00100000000000000110010000000000000000000000000000000000	22-01-137274
CCCCCCC12CCC(CC2O1)C(=O)OCC(=C)C(=O)OCC	SCHEMBL14372032,PC-id_58980579	338.438	KSZQWXDXLOATAS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137275
CCCCC/C=C/C1C2C1(C(=O)CC2OC(OCC)C)C(=O)OC	SCHEMBL11442641,PC-id_20330600	338.438	MDWZBNFQNFZYGF-ZHACJKMWSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137276
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[Si](O[C@H]1[C@@H]2O[C@@H]2C(=O)C(=C1)/C=C/C(OC)(C)C)(CC)(CC)CC	PC-id_11974674	338.514	CEHWBDIMGVCYJZ-RUXMWWCHSA-N	00100000000011000000010000000000000000000000000000000000	22-01-137449
CC([Si](c1ccccc1)(c1ccccc1)OC12CCCC1O2)(C)C	PC-id_102386065	338.515	AYLKPIXFWIRGRO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137450
CC([Si](c1ccccc1)(c1ccccc1)OC1CC2C(C1)O2)(C)C	SCHEMBL15818185,PC-id_85266428	338.515	PKFHXQBPJKBMLD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137451
CC([Si](c1ccccc1)(c1ccccc1)OC1C[C@@H]2[C@H](C1)O2)(C)C	SCHEMBL1139569,PC-id_10783233	338.515	PKFHXQBPJKBMLD-XGSMCBPESA-N	00100010000000110000010000000000000000000000000000000000	22-01-137452
CC([Si](c1ccccc1)(c1ccccc1)O[C@@H]1C[C@H]2[C@@H](C1)O2)(C)C	SCHEMBL1139565	338.515	PKFHXQBPJKBMLD-PDFPEKILSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137453
CC([Si](c1ccccc1)(c1ccccc1)O[C@@H]1C[C@@H]2[C@H](C1)O2)(C)C	SCHEMBL1139938	338.515	PKFHXQBPJKBMLD-IRTIRVBGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137454
[Si](OC1C2OC2CC1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_73240569	338.515	FEAZVADMANBKTG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137455
[Si](O[C@H]1[C@@H]2O[C@@H]2CC1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_16091118	338.515	FEAZVADMANBKTG-VAMGGRTRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137456
[Si](O[C@H]1[C@H]2O[C@H]2CC1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_16091119	338.515	FEAZVADMANBKTG-ZCNNSNEGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137457
CCCCCCCCCCCCCCCCCC1OC(=O)[C@@H]2[C@H]1O2	PC-id_101005746	338.525	NWFOLVGRZKCDGB-YPJRHXLCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137458
CCCCCCCCCCCCCCCCCC1OC(=O)[C@@H]2O[C@H]12	CHEMBL146835,PC-id_10521010	338.525	NWFOLVGRZKCDGB-FXJNCMGBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137459
CCCCCCCCCCCCCCCC/C=C/C12OC1(O2)CO	PC-id_140516610	338.525	VVSRIXHOTKYDRM-ISLYRVAYSA-N	00100000000000000000010000000000000000000000000000000000	22-01-137460
CCCCCCCCCCCCCCOC(=O)C1CCC2C(C1)O2	SCHEMBL13423676,PC-id_59735529	338.525	FXAYYUYZEOEWFL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137461
CCCCCCCCCCCCOC(=O)C1CCC2C(C1(C)C)O2	PC-id_140970792	338.525	OMTRDLAKLCQWEZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137462
O1C2C1C(=O)OC2CCCCCCCCCCCCCCCCC	PC-id_85169957	338.525	NWFOLVGRZKCDGB-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137463
CCCc1c(C/C=C(/CCC(=C)CC)C)c2Cc2c(c1C=O)CCC	PC-id_142611220	338.526	UBKATPWZRHRXHK-QGOAFFKASA-N	00100000000000100000010000000000000000000000000000000000	22-01-137464
CCCCCC12CC1CC(C2)(SC)S(=O)(=O)c1ccccc1	SCHEMBL729379,PC-id_87149146	338.528	XFYJIZMWHFZYHE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137465
CCCCCC12CC1CC(C2S(=O)(=O)c1ccccc1)SC	SCHEMBL729380,PC-id_66781455	338.528	FDCUBGJCDLVCLQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137466
OCC12CN(CC1C2)CC(CO[C@@H]1CN(CC[C@@H]1C)CC(C)C)C	SCHEMBL21322344,PC-id_139457760	338.528	XOUODDURLHOSQX-VVVVFYNYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-137467
C[C@]1(O)C[C@@H]2[C@H](C[C@H]1S[C@@H]1C[C@@H]3[C@H](C[C@]1(C)O)C3(C)C)C2(C)C	CoCoCo_5719960	338.548	VTOLOYGWYKBTJJ-XOPZKEOMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137468
C[C@]1(O)C[C@H]2[C@@H](C[C@H]1S[C@H]1C[C@H]3[C@@H](C[C@@]1(C)O)C3(C)C)C2(C)C	NSC655930	338.548	VTOLOYGWYKBTJJ-HVTWIQHUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137469
OC1(C)CC2C(CC1SC1CC3C(CC1(O)C)C3(C)C)C2(C)C	CNP0078507,PC-id_375777	338.548	VTOLOYGWYKBTJJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137470
S([C@H]1C[C@@H]2[C@@H](C2(C)C)C[C@@]1(O)C)[C@H]1C[C@@H]2[C@@H](C2(C)C)C[C@@]1(O)C	PC-id_14705263	338.548	VTOLOYGWYKBTJJ-CILRADMLSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137471
S([C@@H]1C[C@H]2[C@H](C2(C)C)C[C@]1(O)C)[C@@H]1C[C@H]2[C@H](C2(C)C)C[C@]1(O)C	PC-id_21769451	338.548	VTOLOYGWYKBTJJ-YYJVLHDBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137472
S([C@H]1C[C@H]2[C@H](C2(C)C)C[C@@]1(O)C)[C@H]1C[C@H]2[C@H](C2(C)C)C[C@@]1(O)C	PC-id_21769455	338.548	VTOLOYGWYKBTJJ-NYRFJSCDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137473
CCC1CCC(C)C2C(C(C1CC)C)C2C(C(P)C)CC(C)C	PC-id_139418206,SCHEMBL21276997	338.551	VCRJBNHDJFQSPC-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-137474
CC(=O)/C=C/C12OC2(C)CC(CC1(C)C)O[Si](C(C)(C)C)(C)C	SCHEMBL9793434,PC-id_14229051	338.557	VFNKYUOBOOBAGM-ZHACJKMWSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137475
COC(=O)C/C=C/C1[C@H]2[C@@]1(CCCC2)CO[Si](C(C)(C)C)(C)C	PC-id_101139151	338.557	XWAUUNFHJDVNPH-NIBXWHIZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137476
[Si](OC1=CC2(C(C2OC(=O)C)C(C1)C)C(C)C)(C(C)(C)C)(C)C	PC-id_73806324	338.557	VJPMYNOWKVJIMW-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-137477
[Si](OC1=C[C@]2([C@H]([C@H]2OC(=O)C)[C@H](C1)C)C(C)C)(C(C)(C)C)(C)C	PC-id_21585714	338.557	VJPMYNOWKVJIMW-CKNFYHOISA-N	00100000000011000000010000000000000000000000000000000000	22-01-137478
[Si](OC1CC2(OC2(C(C1)(C)C)C=CC(=O)C)C)(C(C)(C)C)(C)C	PC-id_54389374	338.557	VFNKYUOBOOBAGM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137479
CO[Si]1(OC2C3N2CCCCCCC3)C2N1CCCCCCC2	PC-id_139885796	338.56	BBYIFVKJMNZNCD-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-137480
CCCCCCCCCCCCCCCCCCCCC12OC2O1	PC-id_19025245,SCHEMBL8743146	338.568	NXZRBNHZVJZFIN-UHFFFAOYSA-N	00100000000000000000010000000000000000000000000000000000	22-01-137481
CCC(/C=CCC(C1CC=C2C1C2)CC(=C)C1CC(=CCC1C)C)C	PC-id_143369067	338.569	NSDKYTICPJVQOQ-FPLPWBNLSA-N	00100011000011000000010000000000000000000000000000000000	22-01-137482
S(C1([Si](C)(C)c2ccccc2)C2C1CCCC2)c1ccccc1	PC-id_44542728	338.582	SBSMWXCDBVWESA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137483
S1C2(C1C2)CCCCCC1C(OCCC1)CCCCCCCC	PC-id_76103549	338.591	ZPMWQOGMTJDBFY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137484
S1C2(C1C2)CCCCC[C@@H]1[C@H](OCCC1)CCCCCCCC	PC-id_54559440	338.591	ZPMWQOGMTJDBFY-KREBGBLKSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137485
[Si](O[Si]C1CCCCC1)(CC(C1CC2OC2(CC1)C)C)(C)C	PC-id_59344055	338.632	OABBJBFHAOWHAB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137486
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)NC(=O)c1cc(ccc1)Cl	SCHEMBL6794790,PC-id_90810120	338.743	LKGCMKWVVVFMKA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137487
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)NC(=O)c1ccc(cc1)Cl	SCHEMBL6799960,PC-id_90952397	338.743	OPVLILNLYPASRU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137488
C1[C@@H]([C@H]2[C@@H]([C@H]2[C@@]1(C(=O)O)N)C(=O)O)NC(=O)c1ccccc1Cl	PC-id_137659992,BindingDB_PC-id_137659992	338.743	RNGJMJZHZIDZHG-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-137489
Clc1ccc(cc1)C(=O)N[C@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O	BindingDB_PC-id_60096250,PC-id_60096250	338.743	OPVLILNLYPASRU-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-137490
Clc1cccc(c1)C(=O)N[C@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O	PC-id_60096178,BindingDB_PC-id_60096178	338.743	LKGCMKWVVVFMKA-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-137491
Clc1cc(S(=O)(=O)NC2C3C2CNC3)ccc1OC(F)F	PC-id_43597497	338.758	OLCXCERLEOETBK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137492
N#CCN(c1ccc(cc1)Cl)C(=O)CC12CCCCC1C2(F)F	EMOLS-id_316975368,MCULE-8820405563	338.779	UEMYTSAFPIKIKA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137493
N#CCN(C(=O)C[C@]12CCCC[C@H]1C2(F)F)c1ccc(Cl)cc1	ZINC22_598846147	338.779	UEMYTSAFPIKIKA-GDBMZVCRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137494
N#CCN(C(=O)C[C@]12CCCC[C@@H]1C2(F)F)c1ccc(Cl)cc1	ZINC22_598846152	338.779	UEMYTSAFPIKIKA-GOEBONIOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137495
N#CCN(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1ccc(Cl)cc1	ZINC22_598846154	338.779	UEMYTSAFPIKIKA-HOCLYGCPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137496
N#CCN(C(=O)C[C@@]12CCCC[C@H]1C2(F)F)c1ccc(Cl)cc1	ZINC22_598846155	338.779	UEMYTSAFPIKIKA-ZBFHGGJFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137497
CCC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)C)C2(Br)Br	PC-id_143104997	339.024	BNAPPKDQUXPDNG-CNUIFLNQSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137519
CCOc1cc(cc(c1O)Cl)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	MCULE-4697496087,EMOLS-id_320171914	338.786	KVKZUVNTOLTXAH-HWPZZCPQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137498
COc1c(Cl)cc(cc1OC)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319152855	338.786	JCLQWSQEFVIVKW-HWPZZCPQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137499
O=C(c1cnc(nc1)Cl)NC1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_145915722	338.789	YVGJRZQVVUEBAC-ZACCUICWSA-N	00100010000000100001010000000000000000000000000000000000	22-01-137500
O=C(c1cnc(nc1)Cl)N[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	EMOLS-id_323899544,MCULE-3863577689	338.789	YVGJRZQVVUEBAC-URLYPYJESA-N	00100010000000100001010000000000000000000000000000000000	22-01-137501
N#Cc1ccc(cc1Cl)S(=O)(=O)NC(=O)C1CCC2C(C1)C2	EMOLS-id_112095425	338.809	ZDOGCDYYDLPBQG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137502
Clc1ccc(c(c1)CNC1C2C1CN(C2)C(=O)OC(C)(C)C)O	PC-id_107238612	338.829	HVINAJTVYDWJHV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137503
Clc1cc(OCC2N(CC3C(C3)C2)C(=O)OC(C)(C)C)ncc1	PC-id_77794865	338.829	RBTRYRHEMCBSOQ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137504
Clc1cc(OC[C@H]2N(C[C@@H]3[C@@H](C3)C2)C(=O)OC(C)(C)C)ncc1	SCHEMBL7859303,PC-id_70209931	338.829	RBTRYRHEMCBSOQ-SCRDCRAPSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137505
OC[C@]12C[C@H]1CCCN2C(=O)c1cnc(c(c1)Cl)OCC(C)C	EMOLS-id_319914038,MCULE-5917829083	338.829	DKHXDXLNNVJMHZ-CXAGYDPISA-N	00100000000010101000010000000000000000000000000000000000	22-01-137506
O=C(N1CC2C(C1)C2NCc1ccc(c(c1)Cl)O)OC(C)(C)C	PC-id_107238775	338.829	ZLLZMIQOYOPELU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137507
O=C(N1CC2C(C1)C2NCc1cccc(c1O)Cl)OC(C)(C)C	PC-id_107238765	338.829	JKJUJLGTPMHTHK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137508
O=C(N1CC2C(C1)C2NCc1c(O)cccc1Cl)OC(C)(C)C	PC-id_107238790	338.829	MFVYXIPXJIERLX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137509
CN(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)Cc1ccc(nn1)Cl	PC-id_145913042	338.832	YBWHRDMHISOJKR-ONXXMXGDSA-N	00100010000000100001010000000000000000000000000000000000	22-01-137510
CN(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)Cc1ncc(nc1)Cl	PC-id_145913218	338.832	ACUDMUBXUGGINE-ONXXMXGDSA-N	00100010000000100001010000000000000000000000000000000000	22-01-137511
CN([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)Cc1ccc(nn1)Cl	MCULE-8117736773,EMOLS-id_320462111	338.832	YBWHRDMHISOJKR-IMRBUKKESA-N	00100010000000100001010000000000000000000000000000000000	22-01-137512
CN([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)Cc1ncc(nc1)Cl	EMOLS-id_320461599,MCULE-1818280276	338.832	ACUDMUBXUGGINE-IMRBUKKESA-N	00100010000000100001010000000000000000000000000000000000	22-01-137513
C=C(c1c(Cl)ccnc1CCC1CCC1)NCc1ccc2c(c1)C2	SCHEMBL21014264,PC-id_138646147	338.874	ZJWXEXLWKGMANA-UHFFFAOYSA-N	00101000000000101000010000000000000000000000000000000000	22-01-137514
C1(=C(C2C(C=C1Br)(O2)CC(=O)N)Br)OC	CNP0435400,CMNPD269	338.981	WMVNVZRAZRSMDQ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-137515
CC1=C(N=C(C=C1)Br)NC(=O)OC(=O)C23CC2CCN3	PC-id_150377248	339.022	GYYSEXXTNFTPLK-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137516
CCC(=O)C1N(C[C@H]2[C@@H]1C2(Br)Br)C(=O)C	PC-id_143106239	339.024	KIHNBWBPVVOLMC-ICIOHDDNSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137517
CCC(=O)N1C[C@H]2[C@@H](C1C(=O)C)C2(Br)Br	PC-id_143101549	339.024	BNAPPKDQUXPDNG-ICIOHDDNSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137518
C[C@@]12C[C@H](N[C@@H]1C2)C(=O)NC3=C(C=CC(=N3)Br)COC	PC-id_153456628	339.058	KDMCGZNURTWGDF-RBZYPMLTSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137520
BrCC(NC(=O)C1C2C1CCC2)(CBr)C	PC-id_81966914	339.067	FZSPUUWYHAXSLS-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-137521
BrCC(NC(=O)C1CC2C(C2)C1)(CBr)C	PC-id_81966351	339.067	QFJLLVKESILJKQ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-137522
CC1=C(C=CC(=C1)SCOC(=O)C2CC(C3C2C3C(=O)[O-])O)F	PC-id_154063216	339.071	JKHDGXPERYNPIY-UHFFFAOYSA-M	00100010000010110000010000000000000000000000000000000000	22-01-137523
C1[C@@H]2[C@@H](C2C(=O)O)CN1SC3=CN=C(C=C3)OC/C(=CF)/CN	PC-id_153573705	339.105	MLOICNYNOGTEEB-LRLVJHPKSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137524
C1[C@@H]2[C@@H](C2C(=O)O)CN1SC3=CN=C(C=C3)OC/C(=C/F)/CN	PC-id_153573816	339.105	MLOICNYNOGTEEB-OUSDQYEMSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137525
CC(C1C2C1CN(C2)C(=O)OCC3=CC=CC=C3)OS(=O)(=O)C	PC-id_88542702,PC-id_154998352	339.114	CHIVLAQTQRFPCY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137526
CS(=O)(=O)OCCC1C2C1CN(C2)C(=O)OCC3=CC=CC=C3	PC-id_154998354	339.114	WXUVTVHGIGKQSE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137527
CCC(=O)c1cc(c(o1)Cc1ccccc1)C(=O)NC1[C@H]2[C@@H]1COC2	PC-id_164085575	339.147	XBMKVIUGBGAJDY-RTHVDDQRSA-N	00100010101000110000010000000000000000000000000000000000	22-01-137528
CC(C)(C)OC(=O)N1C(CCC2C1(C2)C(=S)C(=O)O)CC1CC1	PC-id_163990023	339.15	TZTZYTJZEFQDGT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137529
C1CC1CN2CC3C(C2)C3C[N-]CC4=CC(=CC=C4)OC(F)(F)F	PC-id_154457587	339.169	MZEBEWGMTKETMJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137530
BrC1C2C(C2)C(OC(=O)c2ccccc2)C1OC(=O)C	PC-id_76374179	339.181	ABBNONCQOYWIJX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137531
Br[C@H]1[C@@H]2[C@@H](C2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)C	PC-id_56602482	339.181	ABBNONCQOYWIJX-ZUWCUPBKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137532
Brc1ccc(c(c1)[N+](=O)[O-])C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111762483	339.184	LOPSLQXNNHTLKF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137533
C1(C(=O)Nc2ccc(cc2Br)N(=O)=O)C2C1CCCC2	EMOLS-id_1172602,PC-id_2827897,MCULE-3836005766	339.184	ZUYUSXFBIXWYCD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137534
ClC1(Cl)C2C1(C)CCN(C2)Cc1cccc(n1)C(F)(F)F	EMOLS-id_319805363	339.184	GADGLFHZOAYCQV-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137535
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Nc1ccc(cc1Br)[N+](=O)[O-]	CoCoCo_17060	339.184	ZUYUSXFBIXWYCD-DDFAGTSDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137536
O=C(Nc1ccc([N+](=O)[O-])cc1Br)C1[C@H]2CCCC[C@H]12	ZINC22_100289479	339.184	ZUYUSXFBIXWYCD-UWVGGRQHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137537
O=C(Nc1ccc([N+](=O)[O-])cc1Br)C1[C@@H]2CCCC[C@@H]12	ZINC22_100289482	339.184	ZUYUSXFBIXWYCD-NXEZZACHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137538
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_247450892,CoCoCo_17059	339.184	ZUYUSXFBIXWYCD-IWIIMEHWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137539
Brc1ccc(c(c1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)O	EMOLS-id_320035352,MCULE-2985677170	339.185	NKAHAISFXWRKGY-CLAHSXSESA-N	00100000000010110000010000000000000000000000000000000000	22-01-137540
Brc1c(NC(=O)C2[C@H]3[C@@H]2CCCC3)ccc([N+](=O)[O-])c1	PC-id_11903717	339.185	ZUYUSXFBIXWYCD-HWYHXSKPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137541
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1O)Br	EMOLS-id_319353462	339.185	OSYINJSKKIVSNS-CLAHSXSESA-N	00100000000010110000010000000000000000000000000000000000	22-01-137542
Oc1cc(Br)cc(c1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319257708	339.185	NSIYCLJLLYODCN-OTYXRUKQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137543
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Cc1ccc(nc1NC(=O)[C@@H]1C[C@@]2([C@H](N1)C2)C(=O)N)Br	SCHEMBL20488989,PC-id_135319098	339.188	DPYQQDAPTVYDSG-HHURGBBESA-N	00100010000000101000010000000000000000000000000000000000	22-01-137545
CC(C)(C(=O)N)C(=O)N1C[C@@H]2[C@H](C1)C2NC(=O)C3CCCC(C3)F	PC-id_154785220	339.196	GXAMNBXJYIOTFG-ACDMLXGOSA-N	00100010000010000000010000000000000000000000000000000000	22-01-137546
C1C2C1(CN(C2)CCCC3=CC=C(C=C3)N4C=CC(=NC4=O)N)CN	PC-id_154650323	339.206	JXWQKWDXLQYLHQ-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-137547
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C[C@@]12CN(CC1C2N)CCCC3=CC=C(C=C3)N4C=CC(=NC4=O)N	PC-id_154651073	339.206	QSJQFBDQBRVXLO-GXOAENINSA-N	00100010000000110001110000000000000000000000000000000000	22-01-137549
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CC1=C(C=CC(=C1)N2C=CC(=NC2=O)N)CCN3CCC4CC4(C3)N	PC-id_154650209	339.206	OEZLHGABNTVJMD-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-137551
CC(CC1=CC=C(C=C1)N2C=CC(=NC2=O)N)N3CC4C(C3)C4CN	PC-id_155006482	339.206	BCJZRGMTMZPKMV-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-137552
CC(CC1=CC=C(C=C1)N2C=CC(=NC2=O)N)N3C[C@@H]4[C@H](C3)C4CN	PC-id_154650498	339.206	BCJZRGMTMZPKMV-RTPJJRLQSA-N	00100010000000110001110000000000000000000000000000000000	22-01-137553
CC(CC1=CC=C(C=C1)N2C=CC(=NC2=O)N)NCC3C4C3CNC4	PC-id_154650783	339.206	RWDOQYKRBMVTNP-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-137554
CC(CC1=CC=C(C=C1)N2C=CC(=NC2=O)N)NCC3[C@@H]4C3CNC4	PC-id_155006480	339.206	RWDOQYKRBMVTNP-RUOAAROASA-N	00100010000000110001110000000000000000000000000000000000	22-01-137555
CC(C)(C1[C@H]2[C@@H]1CN(C2)CC3=CC=C(C=C3)N4C=CC(=NC4=O)N)N	PC-id_154650372	339.206	MWECFLZIOBFGEM-FKEKPDDDSA-N	00100010000000110001110000000000000000000000000000000000	22-01-137556
CC(CN1C[C@@H]2[C@H](C1)C2CN)C3=CC=C(C=C3)N4C=CC(=NC4=O)N	PC-id_154650618	339.206	NRQLGFHECNJHKB-RTPJJRLQSA-N	00100010000000110001110000000000000000000000000000000000	22-01-137557
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CCN(CC1=CC=C(C=C1)N=C(/C=CNC=O)N)C23CCC(=C2C3)N	PC-id_154650180	339.206	PSQAASVULWEQCG-NTMALXAHSA-N	00100011000000110000010000000000000000000000000000000000	22-01-137559
C12C(=C(C)NC(=O)c3ccc(nc3Cl)Cl)C(=O)CC1C2(C)C	PC-id_3720026,MCULE-6229082059	339.216	CSRPTGBOBUQKPC-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137560
C/C(=C/1[C@H]2[C@@H](CC1=O)C2(C)C)/NC(=O)c1ccc(Cl)nc1Cl	STOCK2S-68518,EMOLS-id_26281407,PC-id_946880,ZINC22_100811935	339.216	CSRPTGBOBUQKPC-SFXFDHEWSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137561
COc1c(C)cc(c(c1C(C1C2C1CCCC2)O)C)Br	PC-id_104053627	339.267	HEMGSNGRNGSKCP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137605
CC(=O)C1=C(C[C@@H]2[C@H]1C2(C)C)NC(=O)c1ccc(Cl)nc1Cl	STOCK2S-65948,ZINC22_535210,EMOLS-id_26281026,PC-id_939744,MCULE-3368182819	339.216	DDFKLGZIFALBMA-NOZJJQNGSA-N	00100011000000101000010000000000000000000000000000000000	22-01-137562
[C@H]12C(=C(C)NC(=O)c3ccc(nc3Cl)Cl)C(=O)C[C@H]1C2(C)C	MCULE-4255464381,PC-id_72038492	339.216	CSRPTGBOBUQKPC-NOZJJQNGSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137563
Clc1ccc(c(n1)Cl)C(=O)NC1=C(C(=O)C)C2C(C1)C2(C)C	MCULE-5091572773,PC-id_3782527	339.216	DDFKLGZIFALBMA-UHFFFAOYSA-N	00100011000000101000010000000000000000000000000000000000	22-01-137564
Clc1nc(Cl)ccc1C(=O)N/C(=C
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Brc1c(C(=O)C2C3C2CCCC3)cc(OC)c(OC)c1	PC-id_81624381	339.224	IFDAOOXHZNHPAZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137566
Brc1c(C(=O)C2C3C2CCCC3)c(OC)cc(OC)c1	PC-id_81624665	339.224	KALSKHBGABHOLV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137567
COc1cc(Br)c(cc1C(=O)C1C2C1CCCC2)OC	PC-id_105056382	339.224	KFARVQJWYKYKCZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137568
COc1c(ccc(c1Br)OC)C(=O)C1C2C1CCCC2	PC-id_116465405	339.224	BGIXLLWHWQHXLE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137569
COCCOc1ccc(cc1Br)C(=O)C1C2C1CCC2	PC-id_104657192	339.224	XYJODMALQZPUPI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137570
COCCOc1ccc(cc1Br)C(=O)C1CC2C(C1)C2	PC-id_104657140	339.224	ODHVJCQUWWBKJO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137571
COc1cc(Br)cc(c1NC(=O)NC1CC2C(C1)C2)C	EMOLS-id_102150135	339.228	VOGGLOMBVIVIBL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137572
COc1ccc(cc1C(C(=O)NC1CC2C(C1)C2)N)Br	EMOLS-id_319427269	339.228	ZYJUBFUYSQPVPW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137573
COc1ccc(cc1CN(C(=O)[C@@H]1C[C@@H]2[C@H](N1)C2)C)Br	EMOLS-id_318017158	339.228	OZCQRPKQARULSG-WQAKAFBOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137574
OC[C@]12C[C@H]1CCCN2C(=O)Cc1cc(Br)cc(n1)C	EMOLS-id_319772533	339.228	UHTZGAOCWPYXLN-IAQYHMDHSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137575
O=C(C(Cc1ccncc1Br)O)NC12CCCCC1C2	MCULE-1826483447,EMOLS-id_320112370	339.228	FZGSHPNRKUGTLK-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137576
O=C(NC12CC1COC2(C)C)Cc1cc(Br)cc(n1)C	EMOLS-id_319384201	339.228	MYTQDLWMWNDFIV-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137577
Cc1nc(S(=O)(=O)N[C@@H]2[C@H]3COC[C@@H]23)sc1Br	EMOLS-id_100387447,ZINC22_330155222,MCULE-1921563704	339.229	OVLYDBMSDZBNAF-ZMONIFLSSA-N	00100010100000000001010000000000000000000000000000000000	22-01-137578
OC[C@@H]1[C@@H]2[C@H]1CN(C2)S(=O)(=O)c1sncc1Br	EMOLS-id_320153546,MCULE-9305311903	339.229	LJPAXTSPGDEVQH-ZMONIFLSSA-N	00100010100000000001010000000000000000000000000000000000	22-01-137579
Brc1cnn(c(=O)c1NC1C2C1CNC2)CC1CCC1	PC-id_114443925	339.231	BROBSMULPMTFRZ-UHFFFAOYSA-N	00101010000000100001010000000000000000000000000000000000	22-01-137580
CN(CC12C[C@H](NC2C1)C(=O)Nc1cccc(n1)Br)C	SCHEMBL18578695	339.231	HQKCXSDOJLVFGS-IPWFMCSPSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137581
CN(CC12CC(NC1C2)C(=O)Nc1cccc(n1)Br)C	PC-id_140776780	339.231	HQKCXSDOJLVFGS-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137582
CCn1nc(c(c1CC(=O)C1C2C1CCCC2)Br)CC	PC-id_115779426	339.271	YEZOIDSIXMPLJR-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-137606
N[C@@H]1C[C@H](C(=O)NCC2(n3cc(Br)cn3)CC2)[C@H]2C[C@@H]12	ZINC22_1615545686,MCULE-9702406937,EMOLS-id_316782774	339.231	HMEFHWUZOVXQJD-WHOHXGKFSA-N	00100010100010000001110000000000000000000000000000000000	22-01-137583
N[C@H]1C[C@@H](C(=O)NCC2(n3cc(Br)cn3)CC2)[C@@H]2C[C@H]12	ZINC22_1857530385	339.231	HMEFHWUZOVXQJD-KXNHARMFSA-N	00100010100010000001110000000000000000000000000000000000	22-01-137584
C1C2C(C2(C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)N)CO1	PC-id_87478279,SCHEMBL3084720	339.233	MDSFBTDGFAHYDD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137585
CCCC(C(CCC(=C)C1CC2=C(C1)C2C(C)C)(F)F)NC(=O)C	PC-id_155036919	339.237	GDEFOQAIHBQCAQ-UHFFFAOYSA-N	00110011000000000000010000000000000000000000000000000000	22-01-137586
Brc1cc(c(NC(=O)C2C3C2CCC3)cc1)C(=S)N	PC-id_82704107	339.251	PFAIVLUVJUUUJX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137587
Brc1cc(c(NC(=O)C2CC3C(C3)C2)cc1)C(=S)N	PC-id_82704032	339.251	CFRPYSTXNQNCCB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137588
O=C(C1C2C1CCC2)Nc1cc(Br)ccc1C(=S)N	PC-id_107798699	339.251	DUWHWGALWAAKFC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137589
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C[C@@H]1C[C@]2(C[C@H]2N1C(C)(C)C)CNC(=O)[C@H](C(C)C)NC(=O)OC	PC-id_153298809	339.252	KZUZAKQLVIYEKI-ZXTQRBJTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137593
Clc1ccc(C(=C=C2C3C2C=CCC3)c2ccc(Cl)cc2)cc1	PC-id_11823971	339.258	QTXDEUNGQAWRHD-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-137594
Clc1cc(C(=O)NCC2C3C2CN(C3)CC2CC2)cc(Cl)c1	PC-id_75245388	339.26	RTYRSBNLBWGGJM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137595
Clc1cc(C(=O)NCC2[C@@H]3[C@H]2CN(C3)CC2CC2)cc(Cl)c1	PC-id_46943251	339.26	RTYRSBNLBWGGJM-MQVJKMGUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137596
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BrC(C1C2C1CCC2)c1cc(OCC)c(OCC)cc1	PC-id_81637987	339.267	HRCHPONDWRVPFK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137599
BrC(C1C2C1CCCC2)c1c(cc(OC)c(OC)c1)C	PC-id_81636661	339.267	MYXOLJZGBDDWHT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137600
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BrCC1(CC2C(C2)C1)CCOc1c(OCC)cccc1	PC-id_80473179	339.267	APMUHGMEFWUTBA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137603
CCCOc1ccc(cc1Br)C(C1C2C1CCCC2)O	PC-id_104661304	339.267	MPFJUESOQWMNJP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137604
COCCNCC1(CC2C(C1)C2)Cc1ccc(cn1)Br	PC-id_104810910	339.271	HPRHCGFBXACABE-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-137607
COCCNCC1(CC2C(C1)C2)Cc1cncc(c1)Br	PC-id_104810911	339.271	WJVLXSSOVOUQSS-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-137608
NNC(C1C2C1CCCC2)Cc1cc(Br)ccc1OC	PC-id_105290180	339.271	UYRPEQJRGJNPKG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137609
NNC(C1C2C1CCCC2)Cc1ccc(c(c1)Br)OC	PC-id_105290312	339.271	IDUXSMMERYNVQT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137610
NNC(C1C2C1CCCC2)Cc1cc(OC)ccc1Br	PC-id_105309528	339.271	HCRDKNZHSCHVPC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137611
OC(=O)C1C(OCc2cccc(c2)[N+](=O)[O-])CC2C1C2(F)C(=O)O	PC-id_141071151	339.273	GDFKWXKMJNUQSM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137612
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[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CCc1ccc(cc1F)F	ZINC22_1704331013,EMOLS-id_317380283,PC-id_135120332,MCULE-6162740067	339.291	IYNRQCZQEIQBDT-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137617
Cn1nnc(c1)c1onc(c1)C(=O)NC[C@]12OCCC[C@H]1C2(F)F	EMOLS-id_319787636	339.297	QCBLNDDESLRBNI-YPMHNXCESA-N	00100000100010000001110000000000000000000000000000000000	22-01-137618
CCOC(=O)c1noc(c1)COC(=O)NC1C2C1CN(C2)C(=O)O	SCHEMBL8512944,PC-id_67607889	339.301	NUZCUEZWTQFYAF-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-137619
O1C2C1C(=O)C=C(NC(=O)c1c(=O)[nH]c(nc1)c1ccccc1)C2O	PC-id_46918187,SCHEMBL353845	339.302	UOXDFDRKSBICII-UHFFFAOYSA-N	00100000000011110001110000000000000000000000000000000000	22-01-137620
Cc1c(ccc(c1)CO[C@@H]1[C@@H]([C@H]2[C@@H]([C@H]2[C@@]1(C(=O)O)N)C(=O)O)O)F	PC-id_134141510,BindingDB_PC-id_134141510	339.316	QXVMZECHAZYIMZ-IBLCTQAQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137621
COc1cccc(CO[C@@H]2C[C@@H]3[C@H]([C@]2(N)C(=O)O)[C@@]3(F)C(=O)O)c1	PC-id_11313770,CHEMBL362708,BindingDB_PC-id_11313770	339.316	REPVATYTKOIVTK-POPZOMSYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137622
FC1(C2C1CC(OCc1cc(OC)ccc1)C2(N)C(=O)O)C(=O)O	PC-id_72797368	339.316	REPVATYTKOIVTK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137623
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CC1C2C1(N=CC=C2)OC1CCC(CC1)C(=O)OCc1ccccc1	PC-id_90291568	339.428	SXGDBSKWBPQZDZ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-137793
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OCC1(CO)[C@H]2CN(Cc3cccc(OCc4ccccc4)c3)C[C@@H]12	ZINC22_1772811263	339.428	SLUDHKISPOALTO-BGYRXZFFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137800
OCC1(CO)[C@H]2CN(Cc3cccc(OCc4ccccc4)c3)C[C@H]12	ZINC22_1772811264	339.428	SLUDHKISPOALTO-PMACEKPBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137801
OCC1(CO)[C@@H]2CN(Cc3cccc(OCc4ccccc4)c3)C[C@@H]12	ZINC22_1772811266	339.428	SLUDHKISPOALTO-WOJBJXKFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137802
O([C@@H]1[C@]2([C@H](C2)[C@@H](N)[C@@H]1O)COCc1ccccc1)Cc1ccccc1	PC-id_11772145	339.428	CKXJEZQUPRSHNK-MJCUULBUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137803
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CCC(C)C(C(=O)N1C2CC2CC1C(=O)N)NC(=O)OC(C)(C)C	PC-id_89529156	339.43	IBNCTZJUTLXXAB-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137805
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COCCC(=O)N1C[C@H]2[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C)[C@H]2C1	ZINC22_1430368712	339.43	BARNVLIYVKFFBI-KNCOVGOOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137810
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C1CCC(C1)C(c1ccccc1)(C(=O)NCC1C2C1CN(C2)C#N)O	PC-id_87676828	339.431	OXCJJRJAROVSOQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137816
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Cc1ccccc1c1cc(NC(=O)C2[C@@H]3CCCC[C@@H]23)n(CCO)n1	ZINC22_170012087,PC-id_99775067	339.431	RQAMFBNSTVSOLV-HZPDHXFCSA-N	00100000100010110001110000000000000000000000000000000000	22-01-137818
Cc1ccccc1c1cc(NC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)n(CCO)n1	ZINC22_241775899	339.431	RQAMFBNSTVSOLV-MNZLEMJZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-137819
CC1(CCC=CC1)C(=O)N1C[C@H]2[C@@H](CC(=O)Nc3cccnc3)[C@H]2C1	EMOLS-id_313757943	339.431	JJNFROYZXQKGKW-HBNZNPKYSA-N	00100010000011101000010000000000000000000000000000000000	22-01-137820
C[C@@]1(C(=O)N2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)CC=CCC1	ZINC22_2055746275	339.431	JJNFROYZXQKGKW-AXVVYFOYSA-N	00100010000011101000010000000000000000000000000000000000	22-01-137821
C[C@]1(C(=O)N2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)CC=CCC1	ZINC22_2055746276	339.431	JJNFROYZXQKGKW-CLWJZODNSA-N	00100010000011101000010000000000000000000000000000000000	22-01-137822
CCCc1nc(c(o1)C(=O)NC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1)C	PC-id_136586441	339.431	CEFJILMVNJXQOP-BYICEURKSA-N	00100010100000110001010000000000000000000000000000000000	22-01-137823
CCCc1nc(c(o1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)C	MCULE-9776448706,EMOLS-id_317750489	339.431	CEFJILMVNJXQOP-VQFNDLOPSA-N	00100010100000110001010000000000000000000000000000000000	22-01-137824
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OC[C@]12C[C@H]1CCCN2C(=O)c1cccc(c1)Cn1nc(cc1C)C	EMOLS-id_319898063,MCULE-2232104857	339.431	QMMJKDQYZMLDLF-UYAOXDASSA-N	00100000100010110001010000000000000000000000000000000000	22-01-137827
OC[C@]12C[C@H]1CCCN2C(=O)c1cc(n(c1C)Cc1ccccn1)C	EMOLS-id_319523816	339.431	GVXUJJPZBARSFM-OXQOHEQNSA-N	00100000110010101000010000000000000000000000000000000000	22-01-137828
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccc(cc1)n1nc(cc1C)C	EMOLS-id_319003732	339.431	QDUSIIMMUCTMBN-YLJYHZDGSA-N	00100000100010110001110000000000000000000000000000000000	22-01-137829
OC[C@]12C[C@H]1CCCN2C(=O)Cc1c(C)nn(c1C)c1ccccc1	EMOLS-id_320019610,MCULE-8878538286	339.431	ZJGHWEGKTPLSGP-OXQOHEQNSA-N	00100000100010110001110000000000000000000000000000000000	22-01-137830
O=C(c1c(C)noc1C(C)C)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-6133057291,EMOLS-id_320278689	339.431	MEBBXGHYSLHFJB-VQFNDLOPSA-N	00100010100000110001010000000000000000000000000000000000	22-01-137831
O=C(c1oc(nc1C)C(C)C)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319231167	339.431	JPNWGGUXUOEASH-FVQHAEBGSA-N	00100010100000110001010000000000000000000000000000000000	22-01-137832
O=C(C(c1c(C)noc1C)C)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319874308	339.431	XBUJPVZKZGJNKD-SORJYMQDSA-N	00100010100000110001010000000000000000000000000000000000	22-01-137833
OCCn1nc(cc1NC(=O)C1C2C1CCCC2)c1ccccc1C	PC-id_102554847	339.431	RQAMFBNSTVSOLV-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-137834
OCCn1nc(cc1NC(=O)C1[C@@H]2[C@H]1CCCC2)c1ccccc1C	PC-id_96568640	339.431	RQAMFBNSTVSOLV-MCPYQZEQSA-N	00100000100010110001110000000000000000000000000000000000	22-01-137835
OCCN(C(=O)C1C2C1CCC2)Cc1cnn(c1)Cc1ccccc1	PC-id_109620778	339.431	LUDITDWIBQYFMI-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-137836
O=S(=O)(C1C2C1CCCC2)NCc1noc(n1)c1cccs1	EMOLS-id_319776703	339.433	APTNGKPSPHKWGH-UHFFFAOYSA-N	00100000100110000001110000000000000000000000000000000000	22-01-137837
C/C(=CSC(=C)P1c2c1cccc2)/Cc1cc(C)c(cc1C)N	PC-id_144794637	339.434	YNGLTUYKCQMHLI-OUKQBFOZSA-N	00100000000000110000010000000000000000000000000000000000	22-01-137838
CC1(C)[C@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C[C@H]12	ZINC22_101364265,PC-id_98199673	339.435	WJRIUKQFNSOMMQ-HOTGVXAUSA-N	00100010000010101000110000000000000000000000000000000000	22-01-137839
CC1(C)[C@@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C[C@@H]12	ZINC22_101364270,PC-id_98199674	339.435	WJRIUKQFNSOMMQ-HZPDHXFCSA-N	00100010000010101000110000000000000000000000000000000000	22-01-137840
CC1(C)[C@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C[C@@H]12	ZINC22_95404562,PC-id_97219002	339.435	WJRIUKQFNSOMMQ-IYBDPMFKSA-N	00100010000010101000110000000000000000000000000000000000	22-01-137841
CC(C)N(C)C(=O)[C@@H]1[C@H]2CN(Cc3cccn3c3ncccn3)C[C@@H]12	ZINC22_102752568,EMOLS-id_43161472,MCULE-5506302489	339.435	XSZAFDQVUWZTTR-FVQHAEBGSA-N	00100010110000100001110000000000000000000000000000000000	22-01-137842
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CC[C@]12C[C@@H]2[C@H]([C@@H]([C@H]1O)F)N(Cc1ccccc1)Cc1ccccc1	SCHEMBL18884104	339.446	YFKWKQDNBXKEKY-PVIWCNJMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137847
CC[C@]12C[C@@H]2[C@H]([C@H]([C@H]1O)F)N(Cc1ccccc1)Cc1ccccc1	SCHEMBL18884106	339.446	YFKWKQDNBXKEKY-ZGJYDULXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137848
CC[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)F)N(Cc1ccccc1)Cc1ccccc1	SCHEMBL18884114	339.446	YFKWKQDNBXKEKY-OQEHDIDLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137849
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Cc1noc(n1)CC1CCCN(C1)S(=O)(=O)C1C2C1CCCC2	MCULE-7807870859	339.453	QUJAEHDWGSAYHA-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-137858
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CCc1c(CC)n[nH]c(=O)c1CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318868813	339.453	CMBPSNFVIZIBHV-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-137861
CCc1c(c(nn1C)CC)S(=O)(=O)NC(=O)C1CCC2CC2C1	EMOLS-id_112095548,PC-id_136548514,MCULE-7845287825	339.453	SPODZEKWAZIDTK-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-137862
CCc1nn(C)c(CC)c1S(=O)(=O)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC22_408503555	339.453	SPODZEKWAZIDTK-IJLUTSLNSA-N	00100000100010000001010000000000000000000000000000000000	22-01-137863
CCc1nn(C)c(CC)c1S(=O)(=O)NC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1	ZINC22_408503558	339.453	SPODZEKWAZIDTK-QJPTWQEYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-137864
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OC(c1ncc[nH]1)C1CCN(CC1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_319492314	339.453	ZGTFUDDTBGZIRB-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-137867
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CCOc1ccccc1NC(=O)C1C2CC/C=C/CC/C=CCCC12	EMOLS-id_2142245	339.471	MAXNMPDTIHONSU-CGXWXWIYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137871
CCOc1ccccc1NC(=O)C1[C@@H]2CCC=CCCC=CCC[C@@H]12	PC-id_5415409,ZINC22_451555	339.471	MAXNMPDTIHONSU-FYQIFJIOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137872
CCOc1ccccc1NC(=O)C1[C@H]2CCC=CCCC=CCC[C@H]12	ZINC22_725447175,PC-id_5415407	339.471	MAXNMPDTIHONSU-GAOSQQNJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137873
CCOc1ccccc1NC(=O)C1[C@@H]2[C@H]1CC/C=C/CC/C=C/CC2	PC-id_92914089	339.471	MAXNMPDTIHONSU-KISVVBEJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137874
CCOc1ccccc1NC(=O)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@H]12	ZINC22_252320693	339.471	MAXNMPDTIHONSU-CSVZPYAESA-N	00100000000000110110010000000000000000000000000000000000	22-01-137875
CCOc1ccccc1NC(=O)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_252320694	339.471	MAXNMPDTIHONSU-JFGMFMPZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137876
CCOc1ccccc1NC(=O)[C@@H]1[C@@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_252320695	339.471	MAXNMPDTIHONSU-PEHNBRFBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137877
CCOc1ccccc1NC(=O)[C@H]1[C@H]2CC/C=C/CC/C=CCC[C@@H]12	ZINC22_252320696	339.471	MAXNMPDTIHONSU-PELAHVRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137878
CCOc1ccccc1NC(=O)[C@@H]1[C@H]2CCC=CCCC=CCC[C@@H]12	ZINC22_725447176	339.471	MAXNMPDTIHONSU-WGMWDUQUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137879
O=C(Nc1c(OCC)cccc1)C1C2C1CCC=CCCC=CCC2	PC-id_2894880	339.471	MAXNMPDTIHONSU-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137880
O=C(Nc1c(OCC)cccc1)C1C2C1CC/C=C/CCC=CCC2	PC-id_5730072	339.471	MAXNMPDTIHONSU-UOBFQKKOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137881
O=C(Nc1c(OCC)cccc1)C1[C@H]2[C@H]1CC/C=C/CCC=CCC2	PC-id_11907060	339.471	MAXNMPDTIHONSU-QYUJHNBTSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137882
O=C(Nc1c(OCC)cccc1)C1[C@@H]2[C@H]1CCC=CCCC=CCC2	PC-id_5415408	339.471	MAXNMPDTIHONSU-HTZLVSCSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137883
O=C(Nc1c(OCC)cccc1)C1[C@H]2[C@@H]1CC/C=C/CCC=CCC2	PC-id_7500007	339.471	MAXNMPDTIHONSU-CZKYDQNWSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137884
O=C(Nc1c(OCC)cccc1)C1[C@@H]2[C@@H]1CC/C=C/CCC=CCC2	PC-id_7500009	339.471	MAXNMPDTIHONSU-TZLOKRQUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137885
CC1=C[C@H]2[C@@H](C[C@H]1S(=O)NS(=O)(=O)c1ccccc1)C2(C)C	PC-id_101693098	339.473	SPBMPHROBBLSGZ-DMXLSXTKSA-N	00100000000011110000010000000000000000000000000000000000	22-01-137886
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OC(C(/N=N/NC12C(C1CCC(C2)C)(C)C)CC(C)C)CC(=O)O	PC-id_77514353	339.473	PYHXNRCPNQOVAM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137888
CC(C1=CC=C(C2C1C2)CC(C)C)C(=O)Nc1cc(nn1C)C1CC1	PC-id_143053201	339.474	VPKRRRXPHLJJMQ-UHFFFAOYSA-N	00100000100011000001110000000000000000000000000000000000	22-01-137889
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C[Si](CCC1CCCC(C1)O)O[Si]CCC1CCC2C(C1)O2	PC-id_89775527	339.597	PPRDOKNZXKRBDX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137896
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1OC)Cl	EMOLS-id_317364414,ZINC22_1704329744,PC-id_135119232,MCULE-6605694119	339.728	CHMAVKUDXCAZPR-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137897
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(c(Cl)c1)OC	PC-id_135118020,MCULE-3194957319,EMOLS-id_317350320,ZINC22_1704336036	339.728	SXIYMAPICHWTAJ-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137898
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(OC)cc(Cl)c1	PC-id_135115761,MCULE-4247396713,ZINC22_1704327904,EMOLS-id_317333429	339.728	JMDJZVVUQLHTJJ-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137899
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)COc1ccc(cc1)Cl	PC-id_135102177,MCULE-3601651059,ZINC22_1704308790,EMOLS-id_317348985	339.728	KDGQYQKOASRBRH-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137900
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)COc1ccccc1Cl	PC-id_135114007,MCULE-9921970843,ZINC22_1704324980,EMOLS-id_317370027	339.728	BDSDXWDIEZMLHA-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137901
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)COc1cccc(Cl)c1	ZINC22_1704311690,PC-id_135093884,MCULE-6275679184,EMOLS-id_317335408	339.728	QEDBEIUPPVARJX-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137902
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[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1ccc(c(Cl)c1)OCC)C(=O)O	PC-id_135110694,EMOLS-id_317372589,MCULE-4454390741,ZINC22_1704326483	339.771	XXSCUPNLOKVQHL-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137904
COC(=O)c1ncc(NC(=O)N2CCC[C@@H]3C[C@]23CO)cc1Cl	EMOLS-id_320380298,PC-id_139017696,MCULE-5755548008,ZINC22_1776005568	339.774	GWHFBWODWNIOSK-RFAUZJTJSA-N	00100000000010101000010000000000000000000000000000000000	22-01-137905
OC(=O)CC(c1ccc(c(c1)F)Cl)NC(=O)C1C2C1CCCC2	PC-id_120211488	339.789	NPFLPMJBNXHSPG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137906
Clc1ncc(c(n1)N[C@@H]1C[C@@H]([C@H]2[C@@H]1C2)NC(=O)N1CCCC1)F	SCHEMBL19241165	339.796	CCWNMHGLFDEHGH-SPFNVWMYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-137907
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Clc1ncnc(OCC2C3C2CN(C3)C(=O)OC(C)(C)C)c1C	PC-id_76779551	339.817	SOQKWYNNIUQOFT-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-137909
Clc1ncnc(OCC2[C@H]3[C@@H]2CN(C3)C(=O)OC(C)(C)C)c1C	PC-id_58414530	339.817	SOQKWYNNIUQOFT-FOSCPWQOSA-N	00100010000000100001010000000000000000000000000000000000	22-01-137910
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OC([C@@H]1C[C@@H]2[C@H](N1)C2)N[C@@H](c1cccc(c1F)Cl)C(=C)N(C)C	PC-id_144412878	339.835	WVULYMZMEMKCNK-RDDRXLEESA-N	00100010000000110000010000000000000000000000000000000000	22-01-137912
CCCC(C1=C(/C(=C/Br)/OC2C1O2)Br)F	PC-id_148309693	339.911	LAUOMTDXVRLQQG-XQRVVYSFSA-N	00100000000011000000010000000000000000000000000000000000	22-01-137913
BrC(=CC1C2(C1C(=O)OC2)C(=O)OC)Br	PC-id_547918	339.965	REZAEOVCKWAMPA-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137914
C1=CC(=CC=C1CNC2=C3[C@H]2N=CC(=C3)I)F	PC-id_154979096	339.987	ABOQOKXSTOKIPG-CYBMUJFWSA-N	00110000000011110000010000000000000000000000000000000000	22-01-137915
COC(=O)/C=C/C1(CC2C(O2)CC1Br)Br	PC-id_134869536	340.008	RYMOPMFNJWTSOU-NSCUHMNNSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137916
COC(=O)C=CC1(CC2C(O2)CC1Br)Br	PC-id_92019784	340.008	RYMOPMFNJWTSOU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137917
COC(C1CCCC1)OC(=O)CC12N[I]1N2	PC-id_164003128	340.028	UKSDLNPAXRDUKX-UHFFFAOYSA-N	00100010000000000001010000000000000000000000000000000000	22-01-137918
Clc1c(OC2C3C(C3)CC=C2)c(Cl)c(Cl)c(O)c1Cl	PC-id_78141302	340.029	GINKVKLLSLFDLY-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-137919
Clc1c(OC2[C@H]3[C@H](C3)CC=C2)c(Cl)c(Cl)c(O)c1Cl	PC-id_71658379	340.029	GINKVKLLSLFDLY-GFCOJPQKSA-N	00100000000011110000010000000000000000000000000000000000	22-01-137920
CC1=C(C=CC(=C1)SCOC(=O)C2CC(C3C2C3C(=O)O)O)F	PC-id_154063217	340.078	JKHDGXPERYNPIY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137921
CC1(CC2CC2=CC(C1)(C)O)COC(=O)C(F)(F)S(=O)(=O)O	PC-id_148566540	340.079	MWAQLODORSMDCM-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-137922
CC(=C(C#N)C#N)C1C2C1C(=CC=C2C(=C(C#N)C#N)C)C(F)(F)F	PC-id_164081366	340.094	WXYUXOAKFCBNEF-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-137923
BrC1(Br)C2(OC)C1CC(CC2)C(C)(C)C	PC-id_13468564	340.095	LBNUNDNYTKCRBS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137924
Brc1sc(C(Cl)C2C3C2CCCC3)cc1Cl	PC-id_81638337	340.107	KMJUXMKAMZUAEE-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-137925
BrC(C1C2C1CCCC2)c1cc(Cl)sc1Cl	PC-id_81638150	340.107	XELSNWCWKNDPMG-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-137926
ClC(C1C2C1CCCC2)c1cc(c(s1)Cl)Br	PC-id_102836631	340.107	SIYZRZLOXAFBCH-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-137927
C1CC1C(CC2=CC(=C(C=C2F)Cl)F)NC(=O)[C@H]3C[C@H]4C[C@H]4N3	PC-id_154991066	340.115	NHTYEZOMMNFKTM-TUAXTENMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137928
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CN1C(=O)C=CC(=N1)NC(=O)N2CC3C(C3=C2)CC4=CC(=CC=C4)F	PC-id_155020885	340.134	SDVBFAPSOPFOHA-UHFFFAOYSA-N	00100011000000110001010000000000000000000000000000000000	22-01-137930
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COC(=O)COC1=CC2[C@@H](C2/C=C/C(=O)NCc2cnccc2)C=C1	PC-id_163949105	340.142	RXSRZNRDOHIYSB-LGOMRYSOSA-N	00100000000011101000010000000000000000000000000000000000	22-01-137932
CC1=CC(=CC(=C1)C2=C(N=C(S2)C)C(=O)N3[C@@H](C[C@H]4[C@@H]3C4)C[NH-])C	PC-id_161088236	340.149	UGUWHIFYIRZNFZ-KBMXLJTQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-137933
CC1=C(C=C(C=C1)C2=C(N=C(S2)C)C(=O)N3[C@@H](C[C@H]4[C@@H]3C4)C[NH-])C	PC-id_161113784	340.149	UKAVMXZHDZPFCP-PMPSAXMXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-137934
CC1=CC(=C(C=C1)C2=C(N=C(S2)C)C(=O)N3[C@@H](C[C@H]4[C@@H]3C4)C[NH-])C	PC-id_162054086	340.149	YYYCKYFPUKWZCX-YCPHGPKFSA-N	00100010100000110001110000000000000000000000000000000000	22-01-137935
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CCCOC1=C2C(=C(C=C1)CC(C)C3=C4C(=C(C=C3)OCCC)O4)O2	PC-id_153859024	340.167	ICMSPJDBPPIWBV-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-137938
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OC(=O)C1(CC2C(C1)C2)Cc1cccc(c1Br)[N+](=O)[O-]	PC-id_108174452	340.169	IQDQAWVWJIWRTN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137944
OC(=O)C(c1ccccc1Br)NC(=O)[C@@H]1[C@@H]2[C@H]1COC2	MCULE-1768845440,EMOLS-id_316888791	340.169	WCDPDRWINNOZCM-ARQUOIAFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137945
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BrC1(Br)C2([Si](C)(C)C)C1CC(CC2)C	PC-id_86111612	340.17	GBKNPYRDCFAKFQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137948
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C[C@@]12C[C@H](N([C@@H]1C2)C(=O)O)C(=O)Nc1nc(ccc1)Br	PC-id_135319206,SCHEMBL20489118	340.173	WJCKODVOANBAII-DAROEXNTSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137952
CC12CC(N(C2C1)C(=O)O)C(=O)Nc1cccc(n1)Br	SCHEMBL18578213	340.173	WJCKODVOANBAII-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137953
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O=C(C1C2CC2CN1C(=O)O)Nc1nc(Br)ccc1C	SCHEMBL18578286	340.173	LCFGHUBSQIJAAI-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137955
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O=C([C@@H]1C[C@H]2[C@@H](N1C(=O)O)C2)Nc1nc(Br)ccc1C	SCHEMBL18578684	340.173	VGHKRUFGKYCSDR-CIUDSAMLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137960
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O=C(Nc1ccccc1[N+](=O)[O-])CN1C[C@@H]2[C@H](C1)[C@H]2Br	EMOLS-id_316963171,MCULE-6111759647	340.173	PUDXVZCETFYCMG-WOFXILAISA-N	00100010000000110000010000000000000000000000000000000000	22-01-137962
C1CC2C(O2)CC1COCC3(OCO3)COCC4CCC5C(C4)O5	PC-id_155075290	340.189	RAFMOQJNFXUISU-UHFFFAOYSA-N	00101000000010000001010000000000000000000000000000000000	22-01-137963
C[C@@]12CCC(CC1O2)COC(C(=O)OCC3CCC4(C(C3)O4)C)O	PC-id_154031502	340.189	CFKZEADPROJWKW-LHSKBTTHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137964
CN(C1CCN(C1)C(=O)C2=CN=C(C=C2)NC34CC3C4)C(=O)C5CC5	PC-id_153602322	340.19	MKMHHNPLLFHEQK-UHFFFAOYSA-N	00101010000000101000010000000000000000000000000000000000	22-01-137965
O=C(C1C2C1CCCC2)Cc1ccc(cc1)I	PC-id_114974146	340.199	BHFFEQRHZWNSAN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137966
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC)C(=O)OC)C	PC-id_164701811	340.2	VWCPCDXVTDFPNG-FIQHERPVSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137967
C1C2C(C2CN)CN1[C@H](CC3=CC=C(C=C3)N4C=CC(=NC4=O)N)N	PC-id_155006485	340.201	AAEHXRLJKKFGHM-ACSWQBRGSA-N	00100010000000110001110000000000000000000000000000000000	22-01-137968
NC(c1scc(c1Br)C(F)(F)F)C1C2C1CCC2	PC-id_112745462	340.203	SABRTYMVZJDOLG-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-137969
BrC1(C2C1CN(CC2O)C(=O)OCc1ccccc1)C	SCHEMBL9181234,PC-id_20089945	340.212	IKLZVHPKIBTSLZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137970
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1)Br)OC	EMOLS-id_320153370,MCULE-5069567506	340.212	LZPBWJFJCAGBKL-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137971
OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccc(c(c1)O)Br	EMOLS-id_319470028	340.212	PPYNIYWTEBVFSK-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137972
OC[C@]12C[C@H]1CCCN2C(=O)COc1cccc(c1)Br	EMOLS-id_318795849	340.212	BXSLGZDKHKLQKX-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137973
Brc1cc(NC(=O)N2CC3C(C2)C3(C)C)c(=O)n(c1)C	EMOLS-id_111815230	340.216	SSLHGTFHPYCNDS-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137974
Brc1c(n(nc1C)CC)CN1C(=O)C2C(C2C1=O)(C)C	PC-id_65873781	340.216	DRPPDVVIBFNKSC-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-137975
Brc1c(n(nc1CC)C)CN1C(=O)C2C(C2C1=O)(C)C	PC-id_65879247	340.216	CDQOXPQROQIXIB-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-137976
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COCc1ccc(nc1NC(=O)C1NC2C(C1)(C2)C)Br	PC-id_142420563	340.216	KDMCGZNURTWGDF-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-137978
OC[C@]12C[C@H]1CCCN2C(=O)c1[nH]nc(c1Br)C1CC1	EMOLS-id_318801898	340.216	VOXLREYONQGDID-YMTOWFKASA-N	00100000100010000001110000000000000000000000000000000000	22-01-137979
C1C(CC2C1O2)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O	SCHEMBL15250460,PC-id_89799237	340.221	LAJMCNBQDODKSX-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-137980
CC1CCCC2C(O2)(CCOC(=O)CCC(C(=O)C(C1)C)(C)C)O	PC-id_154119968	340.225	BFSKRRQPXCNESA-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-137981
CCCCCCCCCCC1C(=O)C2C(O2)C(O1)OC(=O)C(C)C	PC-id_154374523	340.225	REUKSGCPJWTNHH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-137982
Br[C@@H]1C=CC=CC[C@@H]2[C@H]1N2S(=O)(=O)c1ccccc1	PC-id_95564722	340.235	JOAGTKIFZPWHRX-GODZRQRCSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137983
Br[C@H]1C=CC=CC[C@@H]2[C@H]1N2S(=O)(=O)c1ccccc1	PC-id_98554447	340.235	JOAGTKIFZPWHRX-OJEWEXDKSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137984
C1=CC(Br)C2N(S(=O)(=O)c3ccccc3)C2CC=C1	MCULE-1051330567,PC-id_90482106	340.235	JOAGTKIFZPWHRX-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-137985
CC1=CCC[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCN)CC1	PC-id_164017003	340.236	UWEBOBWKNRRUGR-GARXDOFDSA-N	00100000000000000110010000000000000000000000000000000000	22-01-137986
CCCOC(C)(C)CCNC(=O)CCN1CC2C(O2)CC(C1=O)C	PC-id_163784253	340.236	MREPKGRLVJNHKH-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-137987
Clc1ccc(c(c1)Cl)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)C(C)(C)C	PC-id_58533211,SCHEMBL14664071	340.244	FPHPIBUCWUZTQO-HERUPUMHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137988
Clc1c(C(=O)N2C3C(C3)CC2C(=O)C(C)(C)C)ccc(Cl)c1	PC-id_76815412	340.244	FPHPIBUCWUZTQO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-137989
Brc1c(C(N)C2C3C2CCCC3)cc(OC)c(OC)c1	PC-id_81624994	340.255	XSPLHFJDNGZOEO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137990
Brc1c(C(NC)C2C3C2CCC3)cc(OC)c(OC)c1	PC-id_81624330	340.255	YLBYJPRWRFBJDC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137991
Brc1c(C(NC)C2CC3C(C3)C2)cc(OC)c(OC)c1	PC-id_80468580	340.255	OEIABZDTQIEXHP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137992
CNC(c1ccc(c(c1OC)Br)OC)C1C2C1CCC2	PC-id_116465809	340.255	WWZPRXAZKOHILF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137993
CNC(c1ccc(c(c1OC)Br)OC)C1CC2C(C1)C2	PC-id_116465727	340.255	BQOYQNPBLNMPTJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137994
CNC(c1cc(OC)c(cc1OC)Br)C1C2C1CCC2	PC-id_105056764	340.255	JZYYZXMHIOLNPN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137995
CNC(c1cc(OC)c(cc1OC)Br)C1CC2C(C1)C2	PC-id_105056698	340.255	XMUAZYYRAFZPSP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-137996
COc1cc(Br)c(cc1C(C1C2C1CCCC2)N)OC	PC-id_105056610	340.255	LMKYBHVDWCJDQA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-137997
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CN(CCn1ncc(c1C(=O)C1C2C1CCCC2)Br)C	PC-id_115804218	340.259	AANXOOLQGZTNSQ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-138001
OC(=O)C1C2C1C(CO2)(CP(=O)(Cc1ccccc1)O)C(=O)O	PC-id_69294726,SCHEMBL5053322	340.265	NTLLPMAXBTXLSN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138002
P(O)(C(O)C1(OCC2C1C2C(=O)O)C(=O)O)Cc1ccccc1	PC-id_9905936	340.265	HXGNIFGZHJVUQI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138003
Brc1c(CC2(CC3C(C3)C2)CNCCC)cccc1F	PC-id_81513870	340.274	URBARBLAPLQQIR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138004
Brc1c(CC2(CC3C(C3)C2)CNC(C)C)cccc1F	PC-id_81514021	340.274	FDBAXEPHDRMZEA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138005
Brc1c(CC2(CC3C(C3)C2)CNC(C)C)ccc(F)c1	PC-id_80471077	340.274	GTSLBABHYOZBKP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138006
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Brc1c(CC2(CC3C(C3)C2)CNC(C)C)cc(F)cc1	PC-id_80471038	340.274	PICYKZPFXSHXQO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138008
Brc1c(CC2(CC3C(C3)C2)CNCCC)cc(F)cc1	PC-id_80471051	340.274	ATEQXEMESBFMNQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138009
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Brc1cc(CC2(CC3C(C3)C2)CNC(C)C)ccc1F	PC-id_80470993	340.274	CAWWMHXIHJGZHC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138011
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Brc1cc(CC2(CC3C(C3)C2)CNC(C)C)cc(F)c1	PC-id_80471073	340.274	BSDKOQNOYSLWLA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138013
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CCCNC(C1C2C1CCC2)Cc1cccc(c1Br)F	PC-id_105020414	340.274	BVKKXZCCZRDPGU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138020
CCCNC(C1C2C1CCC2)Cc1ccc(c(c1)Br)F	PC-id_115818479	340.274	SUWDIKUZESNVLI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138021
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CCCNC(C1C2C1CCC2)Cc1cc(F)ccc1Br	PC-id_115843586	340.274	HFSDYZILRFMFHN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138025
CCCNC(C1CC2C(C1)C2)Cc1cc(Br)ccc1F	PC-id_115839106	340.274	CMUMFPKDDQHLDT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138026
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N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2[C@@H]3CCOC[C@@H]23)CC1	ZINC22_1875313115	340.419	XCVOIYXXURVYDN-GVDBMIGSSA-N	00100000000010110001110000000000000000000000000000000000	22-01-138322
N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2[C@H]3COCC[C@H]23)CC1	ZINC22_1875313117	340.419	XCVOIYXXURVYDN-ZACQAIPSSA-N	00100000000010110001110000000000000000000000000000000000	22-01-138323
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(cc1)NCc1nccn1C	EMOLS-id_319817470,MCULE-6181938658	340.419	OHYCEVDXGYESCG-DNVCBOLYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-138324
OC[C@]12C[C@H]1CCCN2C(=O)C1CCN(CC1)c1ccc(cn1)C#N	EMOLS-id_319919574,MCULE-3435808180	340.419	HMRWPGUIFORZQA-VQIMIIECSA-N	00100000000010101000110000000000000000000000000000000000	22-01-138325
O=C(c1nnc(o1)C(C)(C)C)NC1C2C1CN(C2)Cc1ccccc1	EMOLS-id_177352996	340.419	XRVVKFVCNYCZDN-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138326
O=C([C@@H]1[C@H]2COC[C@@H]12)N1CC2CCC1c1cnc(NCC3CC3)nc21	EMOLS-id_313849900	340.419	MLEWCAVEUMBJCP-UVJCVUGZSA-N	00100010000010100001010000000000000000000000000000000000	22-01-138327
O=C([C@@H]1[C@H]2COC[C@@H]12)N1C[C@H]2CC[C@H]1c1cnc(NCC3CC3)nc21	ZINC22_1565554216	340.419	MLEWCAVEUMBJCP-VMMWWAARSA-N	00100010000010100001010000000000000000000000000000000000	22-01-138328
O=C(N1CC2C(C1)C2(C)C)Nc1cccc(c1)OCCn1cccn1	MCULE-1246716177,PC-id_71992591,EMOLS-id_49062634	340.419	VPIDLCXVBTXVTG-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138329
O=C(N1CC2C(C1)C2(C)C)Nc1c(C)n(n(c1=O)c1ccccc1)C	EMOLS-id_111850847	340.419	LFDPDXOIMCVQGR-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138330
O=C(NCCO)C1C2C1CN(C2)Cc1c(cc(n2nccc2)cc1)C	PC-id_76439028	340.419	UWFTVUQAPWNVNG-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138331
O=C(NCCO)C1[C@H]2[C@@H]1CN(C2)Cc1c(cc(n2nccc2)cc1)C	PC-id_56912202	340.419	UWFTVUQAPWNVNG-JWTNVVGKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138332
O=C(c1nnn(n1)C(C)(C)C)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319251026	340.423	CRRGGPSFNJTEOU-FICVDOATSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138333
CCCCCCN1CC2C(C1)C2(CC(F)(F)F)Nc1ccccc1	PC-id_86587192	340.426	VBAYCBUERISTHK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138334
Cc1csc([C@@H]2[C@@H](C(=O)NC[C@]34CCC[C@@H]3C4(F)F)C2(C)C)n1	ZINC22_1875404793	340.431	VAZBGCGOEVAIEM-CENBSLRLSA-N	00100010100010000001110000000000000000000000000000000000	22-01-138335
Cc1csc([C@@H]2[C@@H](C(=O)NC[C@]34CCC[C@H]3C4(F)F)C2(C)C)n1	ZINC22_1875404794	340.431	VAZBGCGOEVAIEM-KZTGVZKYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-138336
Cc1csc([C@@H]2[C@@H](C(=O)NC[C@@]34CCC[C@H]3C4(F)F)C2(C)C)n1	ZINC22_1875404795	340.431	VAZBGCGOEVAIEM-YRORDHRNSA-N	00100010100010000001110000000000000000000000000000000000	22-01-138337
Cc1csc([C@@H]2[C@@H](C(=O)NC[C@@]34CCC[C@@H]3C4(F)F)C2(C)C)n1	ZINC22_1875404796	340.431	VAZBGCGOEVAIEM-YWDSYVAPSA-N	00100010100010000001110000000000000000000000000000000000	22-01-138338
COC1CC(CC2C1O2)S(=O)(=O)Oc1ccc(cc1)C(CC)C	SCHEMBL18356040	340.434	LSUFFEHKFRCBCN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-138339
CN(C)S(=O)(=O)c1ccc(OCCN2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1	EMOLS-id_316126212,MCULE-3563437547,ZINC22_366449520	340.438	WDUYMANRJGUSJM-ZSHCYNCHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138340
CON1C(=O)CN(C1=O)CSCC12C(=O)C(C)CCC1C2(C)C	PC-id_140369636	340.438	PGCBMSXWFCDIMG-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-138341
O=C(c1ccc(o1)S(=O)(=O)NC(C)(C)C)N1CC2C(C1)C2(C)C	EMOLS-id_111162399	340.438	NMZBYPIFMFFUNU-UHFFFAOYSA-N	00100010101000000000010000000000000000000000000000000000	22-01-138342
CC1=CC=CC(C1)(C#Cc1ccccn1)S(=O)(=O)C12CNCC1C2	PC-id_141524464	340.439	LSGNOWDYXUXOTD-UHFFFAOYSA-N	00100010000011101000010000000000000000000000000000000000	22-01-138343
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cc(c(s1)c1ccccc1)C	MCULE-3700867359,EMOLS-id_319836020	340.439	QEIPQLWTWFZIMZ-KUHUBIRLSA-N	00100000100110110000110000000000000000000000000000000000	22-01-138344
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cccc(c1c1scc(c1)C)C	PC-id_68446062,SCHEMBL2932429	340.439	RWYACXXRMVZQEE-MRRJBJDNSA-N	00100010100100110000110000000000000000000000000000000000	22-01-138345
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(cc1c1scc(c1)C)C	SCHEMBL2930279,PC-id_68445102	340.439	KXSRHIKIAOFURG-MRRJBJDNSA-N	00100010100100110000110000000000000000000000000000000000	22-01-138346
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cc(C)ccc1c1scc(c1)C	SCHEMBL2931094,PC-id_68445454	340.439	ZCQXCHLHQSYGFW-MRRJBJDNSA-N	00100010100100110000110000000000000000000000000000000000	22-01-138347
O=C(N[C@H](C(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1)c1cccs1	ZINC22_1875268073	340.439	NIFSRPRMELKWBP-INMHGKMJSA-N	00100000100110110000010000000000000000000000000000000000	22-01-138348
O=C(N[C@H](C(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1)c1cccs1	ZINC22_1875268074	340.439	NIFSRPRMELKWBP-UXLLHSPISA-N	00100000100110110000010000000000000000000000000000000000	22-01-138349
O=C(N[C@H](C(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1)c1cccs1	ZINC22_1875268075	340.439	NIFSRPRMELKWBP-VYDXJSESSA-N	00100000100110110000010000000000000000000000000000000000	22-01-138350
O=C(N[C@H](C(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1)c1cccs1	ZINC22_1875268076	340.439	NIFSRPRMELKWBP-ZOBUZTSGSA-N	00100000100110110000010000000000000000000000000000000000	22-01-138351
s1c(c2c(C(=O)N3C(C4C(C4)C3)C(=O)N)ccc(c2)C)cc(c1)C	PC-id_76542710	340.439	KXSRHIKIAOFURG-UHFFFAOYSA-N	00100010100100110000110000000000000000000000000000000000	22-01-138352
s1c(c2c(C(=O)N3C(C4C(C4)C3)C(=O)N)cc(cc2)C)cc(c1)C	PC-id_77501319	340.439	ZCQXCHLHQSYGFW-UHFFFAOYSA-N	00100010100100110000110000000000000000000000000000000000	22-01-138353
s1c(c2c(C(=O)N3C(C4C(C4)C3)C(=O)N)cccc2C)cc(c1)C	PC-id_77501403	340.439	RWYACXXRMVZQEE-UHFFFAOYSA-N	00100010100100110000110000000000000000000000000000000000	22-01-138354
s1c(c2c(C(=O)N3[C@H]([C@@H]4[C@@H](C4)C3)C(=O)N)ccc(c2)C)cc(c1)C	PC-id_57489302	340.439	KXSRHIKIAOFURG-RVSPLBMKSA-N	00100010100100110000110000000000000000000000000000000000	22-01-138355
S(=O)(=NC(=O)c1ccccc1)(N1C2C1CCCC2)c1ccccc1	PC-id_86004623	340.439	FZTRJZVZPUXHLZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-138356
Cc1onc(n1)CN1CCN(CC1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_319666813	340.441	HVXOQCDWWXAHED-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-138357
CCc1nn(c(c1S(=O)(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)CC)C	EMOLS-id_319908646,MCULE-3399768875	340.441	NWQZRHXWFOPTBV-BMIGLBTASA-N	00100000100010000001010000000000000000000000000000000000	22-01-138358
CC(C(=O)NC1CC2C(C1)C2)NS(=O)(=O)c1c(C)nn(c1C)C	EMOLS-id_102237645	340.441	GFZBCQMTHYXGPA-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-138359
OC1(CCN(CC1)S(=O)(=O)C1C2C1CCCC2)c1ncnn1C	EMOLS-id_319278696	340.441	MSAOXAZONGJTNY-UHFFFAOYSA-N	00100000100010000001110000000000000000000000000000000000	22-01-138360
OC1(CCN(CC1)S(=O)(=O)C1C2C1CCCC2)Cn1ccnn1	MCULE-4219219316,EMOLS-id_320281246	340.441	XNYHLCMBWDNZKS-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-138361
C1CC1c1c(snn1)C(=O)NC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1	PC-id_136586440	340.443	UHHSEAWLRNLTGS-MZBDJJRSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138362
O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1snnc1C1CC1	ZINC22_820093291,EMOLS-id_316936890,MCULE-1318261804	340.443	UHHSEAWLRNLTGS-FOLVSLTJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138363
CCCCOC(=O)C1[C@H]2O[C@H]2C(C1C(=O)OCCCC)C(C)(C)C	PC-id_22858350,SCHEMBL9068215	340.454	MKOWUFMYKABZQE-KEKWCALNSA-N	00100010000000000000010000000000000000000000000000000000	22-01-138364
O1C2C1CCC(C2)COCC(COCC1CC2OC2CC1)(CO)C	PC-id_60147404,SCHEMBL14114708	340.454	ZSGBHWPWIPVDPQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-138365
O1C2(C1CC(CC2)COCC(O)COCC1CC2OC2(CC1)C)C	SCHEMBL5086404,SCHEMBL14411149,PC-id_58908082	340.454	JVSSKDZVQWOXGC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-138366
O1C2C(C(C(C12)C(=O)OCCCC)C(=O)OCCCC)C(C)(C)C	PC-id_18994488	340.454	MKOWUFMYKABZQE-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-138367
CCC1=C(C)CC=C(C2C1(C)C2)CC(=O)OC1=CCC=C(C2C1C2)O	PC-id_144517335	340.456	BEECMVYGNACVHO-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-138368
O1C2C1(C(=O)C(=CC2(O)C(C)(C)C)C(C)(C)C)/C=C/c1ccccc1	PC-id_13619505	340.456	VPUKMAXMSNXTDV-OUKQBFOZSA-N	00100000000011110000010000000000000000000000000000000000	22-01-138369
O1C2C1(C(=O)C(=CC2(O)C(C)(C)C)C(C)(C)C)C(=C)c1ccccc1	PC-id_13619508	340.456	HKBXIEXLLSVNRK-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-138370
O1C2C1(C(=O)C(=CC2(O)C(C)(C)C)C(C)(C)C)C=Cc1ccccc1	PC-id_73185543	340.456	VPUKMAXMSNXTDV-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-138371
O1C2(C1C(O)(C(C)(C)C)C(=O)C(=C2)C(=C)c1ccccc1)C(C)(C)C	PC-id_13619513	340.456	KLQLUNJKXFVMAW-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-138372
CC(C)(C)OCC(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COC(C)(C)C	SCHEMBL20631966,PC-id_137400261	340.458	VJGGNHIYQUGVFI-LLZFXZEUSA-N	00100010000010000000010000000000000000000000000000000000	22-01-138373
C12CCC=CCCC1C2C(=O)NN=Cc1ccc(cc1)OCCCC	PC-id_72155506,MCULE-6881129258	340.459	XGVXLJMYCNIIGD-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-138374
CC1CC2CC2CC(C1)(C)NCc1cc(no1)c1ccc(cc1)OC	PC-id_89627056,SCHEMBL15029000	340.459	XXKNYRMDJNGMHG-UHFFFAOYSA-N	00100000100000110101110000000000000000000000000000000000	22-01-138375
Cc1cc(C)cc(c1)C(=O)N1CCCC(C1)C(=O)N1CCCC2C1C2	EMOLS-id_177233471,MCULE-9453298572	340.459	XBYKKGZVJUAOLK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-138376
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]4C[C@H]34)C2)c1	ZINC22_585082284	340.459	XBYKKGZVJUAOLK-AOIWGVFYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-138377
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@H]4C[C@@H]34)C2)c1	ZINC22_585082285	340.459	XBYKKGZVJUAOLK-JENIJYKNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-138378
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@H]4C[C@H]34)C2)c1	ZINC22_585082286	340.459	XBYKKGZVJUAOLK-LNLFQRSKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-138379
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]4C[C@@H]34)C2)c1	ZINC22_585082287	340.459	XBYKKGZVJUAOLK-ZIFCJYIRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-138380
CCCCOc1ccc(cc1)/C=N/NC(=O)C1C2C1CCC=CCC2	EMOLS-id_46198452,PC-id_53206469	340.459	XGVXLJMYCNIIGD-XTGGODTDSA-N	00100000000000110110010000000000000000000000000000000000	22-01-138381
CCCCOc1ccc(cc1)/C=NNC(=O)C1[C@@H]2[C@@H]1CCC=CCC2	PC-id_92258173	340.459	XGVXLJMYCNIIGD-IXCXCLMGSA-N	00100000000000110110010000000000000000000000000000000000	22-01-138382
CCCCOc1ccc(cc1)/C=NNC(=O)C1[C@@H]2[C@H]1CCC=CCC2	PC-id_92258174	340.459	XGVXLJMYCNIIGD-YGHYJSMTSA-N	00100000000000110110010000000000000000000000000000000000	22-01-138383
CCCCOc1ccc(cc1)/C=NNC(=O)C1[C@H]2[C@H]1CCC=CCC2	PC-id_92258175	340.459	XGVXLJMYCNIIGD-XFMQTXGESA-N	00100000000000110110010000000000000000000000000000000000	22-01-138384
CCCCOc1ccc(/C=N/NC(=O)C2C3CCC=CCCC23)cc1	EMOLS-id_46198452	340.459	XGVXLJMYCNIIGD-JEMJNGRNSA-N	00100000000000110110010000000000000000000000000000000000	22-01-138385
C=CCNC1C2C1CN(C2)C(=O)C(c1ccccc1)(C1CCCC1)O	PC-id_11617059,SCHEMBL3618773	340.459	IQRURSIQFFBVOI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138386
n1(Cc2ccccc2)cc(cn1)O[C@@H]1CCCC2C(C2)CCC[C@H]1O	MCULE-6046646479,PC-id_145709837,EMOLS-id_106523719	340.459	LDBWSUVTSWYAPA-OWQMCBFZSA-N	00100000100000110101010000000000000000000000000000000000	22-01-138387
OC1CCCC2CC2CCCC1Oc1cnn(Cc2ccccc2)c1	MCULE-7822495928,EMOLS-id_303453592,PC-id_137703354	340.459	LDBWSUVTSWYAPA-UHFFFAOYSA-N	00100000100000110101010000000000000000000000000000000000	22-01-138388
O=C(N[C@H]1[C@@H]2CN(C(=O)CCC3CCCCC3)C[C@H]12)c1ccccc1	ZINC22_976081274	340.459	GSMDRWPFFJRHNX-RUYXUALKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138389
CCS(=O)c1ncc(s1)C(=O)NCCCC1C2C1CCC2=O	PC-id_68128776,SCHEMBL11778402	340.461	WDCRHBFUSYQUEB-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-138390
N1(CC2C(C2N)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_19091696,SCHEMBL9407227	340.461	XKVXWGPSHYGKQQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138391
N1CC2C(N)(C2C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL9407229,PC-id_57025659	340.461	XRMCQABWWPVHKY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138392
N(c1ccc(C(=C2c3c2cccc3)c2ccc(N(C)C)cc2)cc1)(C)C	PC-id_14547936	340.461	ZGBHJHJCSVYJKR-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-138393
O=C(C1CCCN1S(=O)(=O)c1cccs1)NC1CC2C(C1)C2	EMOLS-id_102235844	340.461	WKAREVPNOWENSO-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-138394
O=C(c1sccc1S(=O)(=O)N1CCCC1)NC1CC2C(C1)C2	EMOLS-id_102231921	340.461	BCTWXHWWJCWDBO-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-138395
C/C=C(c1cc(C)nc(c1N=C)C(NC(=O)C1[C@@H]2[C@H]1CNC2)(C)C)/C	PC-id_139459391	340.463	XMEQGBNDTIHPJL-HGQXMQDGSA-N	00100010000000101000010000000000000000000000000000000000	22-01-138396
C/C=C(c1cc(C)nc(c1N=C)C(NC(=O)[C@@H]1[C@@H]2[C@H]1CNC2)(C)C)/C	SCHEMBL21324072	340.463	XMEQGBNDTIHPJL-AZLNFEPKSA-N	00100010000000101000010000000000000000000000000000000000	22-01-138397
COc1ccc([C@@H](CCn2cncn2)NCC[C@@]23CCC[C@@H]2C3)cc1	ZINC22_1875316087	340.463	UIIWDJGWHMXMOE-MISYRCLQSA-N	00100010100010110001010000000000000000000000000000000000	22-01-138398
COc1ccc([C@H](CCn2cncn2)NCC[C@@]23CCC[C@@H]2C3)cc1	ZINC22_1875316088	340.463	UIIWDJGWHMXMOE-YZGWKJHDSA-N	00100010100010110001010000000000000000000000000000000000	22-01-138399
O=C(N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C12CC1C2	ZINC22_2325898247	340.463	YHMSJIDHMUOOBX-VXESANQCSA-N	00101000000010101001110000000000000000000000000000000000	22-01-138400
O=C(N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C12CC1C2	ZINC22_2325898248	340.463	YHMSJIDHMUOOBX-ZRZPHAQCSA-N	00101000000010101001110000000000000000000000000000000000	22-01-138401
CCCOCC[Si](c1cccc2c1S2)(OC(=O)C)OC(=O)C	PC-id_140154955	340.467	DPCACVQDXDOKKN-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-138402
OCCCCS12(=CC1COCC2)Cc1ccc(c(c1)OC)OC	PC-id_145693865	340.478	FIKBXEUZFCQTQI-UHFFFAOYSA-N	00110000000010110001010000000000000000000000000000000000	22-01-138403
O=C(C1C2C1CCC2)N1CCCC(C1)S(=O)(=O)NC1CCCC1	EMOLS-id_99260131	340.481	QTLXBJDZANTOBT-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-138405
O=C(N1CCC(CC1)S(=O)(=O)N1CCCC1)CC1CCC2C1C2	EMOLS-id_101285727	340.481	AQUCGGJTXMGPRJ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-138406
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O=C(N1C[C@H]2[C@H](C2CN(Cc2oncc2)C)C1)COc1ccccc1	PC-id_56895471	341.404	GRTPDWLDLRHBSD-AYHJJNSGSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138756
O=C(N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)CC1CC(=O)NC(=O)C1	EMOLS-id_319699984	341.404	VWMZFGHAFJGNRS-QWHZDKJVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138757
O=C(N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)CCN1C(=O)CCC1=O	MCULE-1664633900,EMOLS-id_319888424	341.404	YLIUXXWSIFXIGL-QWHZDKJVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138758
O(C(=O)N1C(C2C(C2)C1)C(=O)NCc1ccc(cc1)C#N)C(C)(C)C	PC-id_18506738	341.404	CBXBTKAOHIUVQG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138759
Cn1ccc(n1)n1c(C)cc(c1C)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319840435,MCULE-2882299654	341.408	JDWTWIXFVQNMHC-ACJLOTCBSA-N	00100000110010000001110000000000000000000000000000000000	22-01-138760
Cn1cnn(c1=O)CCC(=O)NC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1	PC-id_136586442	341.408	KGECXOKDVFLSIB-FKEKPDDDSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138761
Cn1ncc(c1)n1c(C)cc(c1C)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319342656	341.408	YITDJJJPXHJQGT-ACJLOTCBSA-N	00100000110010000001110000000000000000000000000000000000	22-01-138762
COc1ccc(cc1)Cn1cnc(n1)NC(=O)N1CC2C(C1)C2(C)C	MCULE-2391355696,PC-id_75424682,EMOLS-id_48251047	341.408	BJLRBRLBLWAXBI-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138763
COc1ccc(cc1)n1nnc(c1)CNC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_48254837,PC-id_75378469,MCULE-4530709600	341.408	VPTSNSHSLCQDII-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138764
COc1ccc(n2cc(CNC(=O)N3C[C@H]4[C@@H](C3)C4(C)C)nn2)cc1	PC-id_97222884,ZINC22_95410101	341.408	VPTSNSHSLCQDII-IYBDPMFKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138765
COc1ccc(n2cc(CNC(=O)N3C[C@H]4[C@H](C3)C4(C)C)nn2)cc1	PC-id_98221208,ZINC22_101568045	341.408	VPTSNSHSLCQDII-HOTGVXAUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138766
COc1ccc(n2cc(CNC(=O)N3C[C@@H]4[C@@H](C3)C4(C)C)nn2)cc1	PC-id_98221210,ZINC22_101568057	341.408	VPTSNSHSLCQDII-HZPDHXFCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138767
COCc1nc(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)n(C)n1	ZINC22_585137319	341.408	SDATYAUIDBYZAT-KBPBESRZSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138768
COCc1nc(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)n(C)n1	ZINC22_585137320	341.408	SDATYAUIDBYZAT-ZIAGYGMSSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138769
COCc1nc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@H]23)n(C)n1	ZINC22_585137318	341.408	SDATYAUIDBYZAT-FOLVSLTJSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138770
COCc1nn(c(n1)C(=O)NC1C2C1CN(C2)Cc1ccccc1)C	MCULE-7923435993,EMOLS-id_177352999	341.408	SDATYAUIDBYZAT-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138771
COC[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccc(n4ccnc4)cn3)[C@H]2C1	ZINC22_962282514	341.408	WZGKSOPTXHGDSX-MKVSYHDVSA-N	00100010100000101001110000000000000000000000000000000000	22-01-138772
COC[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccc(n4ccnc4)cn3)[C@H]2C1	ZINC22_962282517	341.408	WZGKSOPTXHGDSX-UTXMOHQDSA-N	00100010100000101001110000000000000000000000000000000000	22-01-138773
O=C(Cn1nc(n(c1=O)C)C)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319659771	341.408	PUWPKQMCLJXVBR-QLPKVWCKSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138774
FC1(F)C2C1CC(C2)S(=O)(=O)NCC1(CC1)Cc1ccccc1	MCULE-8168120931,EMOLS-id_317040975	341.416	QHWRDACFEFUSJU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138775
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@H]2[C@H](C1)C2(F)F	ZINC22_1775999121	341.416	QHWRDACFEFUSJU-GJZGRUSLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138776
O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F	ZINC22_1775999126	341.416	QHWRDACFEFUSJU-HUUCEWRRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138777
O=S(=O)(NCC1(Cc2ccccc2)CC1)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	ZINC22_1775999127	341.416	QHWRDACFEFUSJU-QDMKHBRRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138778
C12(C)CN(CC1C2)Cc1ccc(c(OCc2ccccc2F)c1)OC	MCULE-9676724292,EMOLS-id_317912506	341.419	BQYGVLSVQRUCAG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138779
COc1ccc(CN2C[C@H]3C[C@]3(C)C2)cc1OCc1ccccc1F	ZINC22_1772814480	341.419	BQYGVLSVQRUCAG-DYESRHJHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138780
COc1ccc(CN2C[C@@H]3C[C@]3(C)C2)cc1OCc1ccccc1F	ZINC22_1772814481	341.419	BQYGVLSVQRUCAG-LAUBAEHRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138781
COc1ccc(CN2C[C@H]3C[C@@]3(C)C2)cc1OCc1ccccc1F	ZINC22_1772814482	341.419	BQYGVLSVQRUCAG-UTKZUKDTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138782
COc1ccc(CN2C[C@@H]3C[C@@]3(C)C2)cc1OCc1ccccc1F	ZINC22_1772814483	341.419	BQYGVLSVQRUCAG-UWJYYQICSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138783
Cc1nn(c2ccc(F)cc2)c(C)c1CNC(=O)C1[C@@H]2CCCC[C@@H]12	PC-id_98138033,ZINC22_100770795	341.422	XZMDUFHEAQXYBH-IAGOWNOFSA-N	00100000100010110001110000000000000000000000000000000000	22-01-138784
Cc1nn(c2ccc(F)cc2)c(C)c1CNC(=O)C1[C@H]2CCCC[C@H]12	ZINC22_100770791,PC-id_98138032	341.422	XZMDUFHEAQXYBH-IRXDYDNUSA-N	00100000100010110001110000000000000000000000000000000000	22-01-138785
Cc1nn(c2ccc(F)cc2)c(C)c1CNC(=O)C1[C@H]2CCCC[C@@H]12	ZINC22_19578368,PC-id_51598011	341.422	XZMDUFHEAQXYBH-JJTKIYQPSA-N	00100000100010110001110000000000000000000000000000000000	22-01-138786
Cc1nn(c2ccc(F)cc2)c(C)c1CNC(=O)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_248069697,CoCoCo_493996	341.422	XZMDUFHEAQXYBH-DZFIZOCASA-N	00100000100010110001110000000000000000000000000000000000	22-01-138787
Cc1nn(c(C)c1CNC(=O)C1C2CCCCC12)c1ccc(F)cc1	EMOLS-id_30436421,PC-id_46969904,MCULE-7522186932,SYN-20014759	341.422	XZMDUFHEAQXYBH-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-138788
Fc1ccc(cc1)n1nc(c(c1C)CNC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)C	CoCoCo_493995	341.422	XZMDUFHEAQXYBH-IZZQQSIFSA-N	00100000100010110001110000000000000000000000000000000000	22-01-138789
Cc1ccc(cc1)S(=O)(=O)N1CC2C(C1)(C2)C(=O)c1ccccc1	PC-id_102077745	341.424	DZYFEJGYQZDKRK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138790
Cc1ccc(cc1)S(=O)(=O)N1CC[C@H]2[C@@]1(C2)C(=O)c1ccccc1	PC-id_135009593	341.424	ODGZVTHUKIJLPK-APWZRJJASA-N	00100010000000110000010000000000000000000000000000000000	22-01-138791
CCc1ccc(cc1)C(=O)N1CC2CC2(C1)OC(=O)c1cccs1	PC-id_91553366	341.424	CHGIJVKQHRVLJW-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-138792
s1cc(C=C2N(C(=O)C3C2C3)Cc2cc(OC)c(OC)cc2)cc1	PC-id_78158839	341.424	BXKHDJUSJGCNAK-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-138793
s1cc(/C=C/2N(C(=O)[C@H]3[C@@H]2C3)Cc2cc(OC)c(OC)cc2)cc1	PC-id_71723194	341.424	BXKHDJUSJGCNAK-XYVWNUDBSA-N	00100010100100110000010000000000000000000000000000000000	22-01-138794
C[C@@H](C(=O)N1CC2C(C1)C2(C)C)NS(=O)(=O)c1c(C)noc1C	EMOLS-id_111167054	341.426	JNXZIPNNEKDWSA-GCVQQVDUSA-N	00100010100000000001010000000000000000000000000000000000	22-01-138795
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1cnn(c1)C1CCOCC1	EMOLS-id_320230832,MCULE-9325514572	341.426	LBEBXEUIWJXKFK-IUODEOHRSA-N	00100000100010000001110000000000000000000000000000000000	22-01-138796
[SH+]1C2C1C(=O)N(C2=O)CCCCCCN1C(=O)C(=CC1=O)S	PC-id_78116575	341.426	QDYYGTYFXYQFMT-UHFFFAOYSA-O	00100011000000000000010000000000000000000000000000000000	22-01-138797
[SH+]1[C@H]2[C@@H]1C(=O)N(C2=O)CCCCCCN1C(=O)C(=CC1=O)S	PC-id_71571538	341.426	QDYYGTYFXYQFMT-PHIMTYICSA-O	00100011000000000000010000000000000000000000000000000000	22-01-138798
Cc1scc(n1)c1ccc(cc1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319879979	341.427	ACAJWLHQOVCOKO-KDOFPFPSSA-N	00100000100010110001110000000000000000000000000000000000	22-01-138799
Cc1sc(c(n1)C(=O)N1C2C[C@@H]2C[C@H]1C(=O)N)c1cccc(c1)C	PC-id_67081372,SCHEMBL1572128	341.427	SKYUORUZPDRZEV-YIOYIWSBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138800
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N)c1cccc(c1)C	PC-id_67081370,SCHEMBL1572124	341.427	SKYUORUZPDRZEV-IHRRRGAJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138801
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@@H]2C[C@H]1C(=O)N)c1cccc(c1)C	PC-id_67081472,SCHEMBL1572299	341.427	SKYUORUZPDRZEV-RDBSUJKOSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138802
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(nc1C)c1cscc1	EMOLS-id_318866655	341.427	DFZVNKSFEAPVLZ-ACJLOTCBSA-N	00100000100110101000110000000000000000000000000000000000	22-01-138803
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1sc(nc1C)c1ccccc1	EMOLS-id_319530246	341.427	QGFHFGLZTPOCEW-ACJLOTCBSA-N	00100000100010110001110000000000000000000000000000000000	22-01-138804
NC(=O)[C@@H]1[C@H]2CC2CN1C(=O)c1nc(sc1c1ccccc1C)C	SCHEMBL3413926,PC-id_68633327	341.427	KGPDOWAYZRVTBI-MONRWBKMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138805
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1ccccc1C)C	PC-id_68444228,SCHEMBL2928071	341.427	KGPDOWAYZRVTBI-KYOSRNDESA-N	00100010100000110001110000000000000000000000000000000000	22-01-138806
CNC(c1c(Br)cnn1CCOC)C1C2C1CCCC2	PC-id_105042910	342.275	BZKBZDKFVFGBDF-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-139060
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccc(cc1)C)C	PC-id_68633109,SCHEMBL3413293	341.427	HYUCKDFVAHHFLP-YDHLFZDLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138807
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2802808,PC-id_67541166	341.427	UHLMUISJKATNCZ-YDHLFZDLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138808
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2923720,PC-id_57489306	341.427	UHLMUISJKATNCZ-NFAWXSAZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138809
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1ccc(cc1)C)C	SCHEMBL2930076,PC-id_68445024	341.427	HYUCKDFVAHHFLP-NFAWXSAZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138810
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccccc1C)C	SCHEMBL3412050,PC-id_68632554	341.427	KGPDOWAYZRVTBI-WHOFXGATSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138811
NC(=O)[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccccc1C)C	SCHEMBL3413929,PC-id_68633328	341.427	KGPDOWAYZRVTBI-LNSITVRQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138812
O=C(C1C2C1CN(C2)C(=O)C)Nc1cc(ccc1N)c1cccs1	PC-id_71465633,SCHEMBL13833453	341.427	GMDGNXJQNNVLHX-UHFFFAOYSA-N	00100010100100110000110000000000000000000000000000000000	22-01-138813
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1scnc1c1ccccc1	EMOLS-id_318841413	341.427	IVPVBAPJOVDODO-ACJLOTCBSA-N	00100000100010110001110000000000000000000000000000000000	22-01-138814
s1c(c(nc1C)C(=O)N1C2C(C2)CC1C(=O)N)c1cc(ccc1)C	PC-id_77222966	341.427	SKYUORUZPDRZEV-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138815
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1cc(ccc1)C	PC-id_76542606	341.427	UHLMUISJKATNCZ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138816
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1ccc(cc1)C	PC-id_76542609	341.427	HYUCKDFVAHHFLP-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138817
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1c(cccc1)C	PC-id_76542618	341.427	KGPDOWAYZRVTBI-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138818
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1cc(ccc1)C	PC-id_57489137	341.427	UHLMUISJKATNCZ-KCQAQPDRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138819
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1ccc(cc1)C	PC-id_57489140	341.427	HYUCKDFVAHHFLP-KCQAQPDRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138820
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1c(cccc1)C	PC-id_57489149	341.427	KGPDOWAYZRVTBI-CORIIIEPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-138821
FC1(F)C2(N(Cc3ccccc3)Cc3ccccc3)C1CCCCC2	PC-id_71419566	341.437	UXULECJDJVRCLE-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-138822
COCCCN(C1CC[C@@H]2[C@H]1[C@H]2C(=O)OCC)C(=O)OC(C)(C)C	EMOLS-id_36029091	341.442	NFXYBUINQDFJTF-FFHGMXDLSA-N	00100010000010000000010000000000000000000000000000000000	22-01-138823
CC/C=C(C1=C(C)NC(=O)CC1)/O/C/1=C/C=C(C)/O[C@H]2[C@@H](C(=C1)C)C2	PC-id_135161573,SCHEMBL20310444	341.444	PDHIHRDUIRJEIW-ABRVODGXSA-N	00100000000011000110010000000000000000000000000000000000	22-01-138824
CC(C)(C)OC(=O)N1[C@H]2[C@@]1(/C(=C/C=O)/CCCC2)Cc1ccccc1	PC-id_134947741	341.444	AQQKEVCVWRGQNR-AYMXWQLOSA-N	00100000000000110100010000000000000000000000000000000000	22-01-138825
O=C(C1C2C1CCCC2)N1CCC(CC1)Cc1ccccc1C(=O)O	PC-id_121951763	341.444	UZPQRSDBIFUISO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-138826
O=C(C[C@@]12[C@@](C1)(CN(C2)C(=O)c1ccc(OC)cc1)C=C)CCCC	PC-id_10860784	341.444	NQZWIBSWVGSKCZ-LEWJYISDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138827
O=C(CC12C(C1)(CN(C2)C(=O)c1ccc(OC)cc1)C=C)CCCC	PC-id_85292249	341.444	NQZWIBSWVGSKCZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138828
CCCCCCCCC1C(=C(C2=C(C1=S)S2)[N+](=O)[O-])C(=O)O	PC-id_90470095	341.446	STQPLALDJMSDKF-UHFFFAOYSA-N	00110000000011000000010000000000000000000000000000000000	22-01-138829
C12(C)CN(CC1C2)Cc1ccc(c(OCC)c1)OCCn1ccnc1	EMOLS-id_317909928,MCULE-7209227467	341.447	KFSIFLJRXDQRSL-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-138830
C1CC(=O)N(C(=O)C1)CCCNC12CC1CN(C2)Cc1ccccc1	PC-id_91281577	341.447	ACEOXUJXMKOIHN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138831
Cc1ccc(cc1)CN1CCC(C1=O)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111538451	341.447	BMZPXKUGBIUMNH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-138832
Cc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102213811	341.447	IBMBJLXPVIPLRL-UHFFFAOYSA-N	00100010000010110101010000000000000000000000000000000000	22-01-138833
Cc1cccc(c1)NC(=O)N1CCCC(C1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102234022	341.447	AEDLNFCRATXDJG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-138834
Cc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)CC1CCC2C1C2	EMOLS-id_101188201	341.447	OHNCMBSCGAJFTQ-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-138835
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OC[C@]12C[C@H]1CCCN2C(=O)Cc1cc(Br)ccc1F	EMOLS-id_319494412	342.203	WWCLKDHWBAUIMK-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139014
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OC[C@]12C[C@H]1CCCN2C(=O)Cc1ccc(c(c1)Br)F	EMOLS-id_319029853	342.203	GPDHIDGBRFMOES-IAQYHMDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139016
CCC1CCCC(C1(OC)OC)(C(=O)OC2CCC3C(C2)O3)OC	PC-id_154000541	342.204	HOYKRYURVZJLPF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-139017
CN(Cc1ccc(F)cc1Br)C(=O)N[C@H]1[C@@H]2CNC[C@H]12	MCULE-5737052917,ZINC22_418672913,EMOLS-id_316868499	342.207	OCIRINSOULLIDN-PJXYFTJBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139018
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Brc1ccc(c2noc(CN3CCO[C@@H]4C[C@H]34)n2)s1	ZINC22_367847221	342.212	DXBPGFQYVBQPDZ-JGVFFNPUSA-N	00100000100110000001110000000000000000000000000000000000	22-01-139022
Brc1ccc(c2noc(CN3CCO[C@H]4C[C@@H]34)n2)s1	ZINC22_367847223	342.212	DXBPGFQYVBQPDZ-SFYZADRCSA-N	00100000100110000001110000000000000000000000000000000000	22-01-139023
Brc1ccc(c2noc(CN3CCO[C@H]4C[C@H]34)n2)s1	ZINC22_367847224	342.212	DXBPGFQYVBQPDZ-YUMQZZPRSA-N	00100000100110000001110000000000000000000000000000000000	22-01-139024
Brc1ccc(s1)c1noc(n1)CN1CCOC2C1C2	EMOLS-id_316182300,MCULE-5631983630	342.212	DXBPGFQYVBQPDZ-UHFFFAOYSA-N	00100000100110000001110000000000000000000000000000000000	22-01-139025
IC1C2OC2(CCC1)CCCc1ccccc1	PC-id_73088895	342.215	XIGXWAUDQBAGOY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139026
Ic1ccc(c(c1)C)OCCC1C2C1CCC2	PC-id_142934690	342.215	SHHGBTWCMJVLQM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139027
IC1[C@H]2O[C@]2(CCC1)CCCc1ccccc1	PC-id_11759646	342.215	XIGXWAUDQBAGOY-DMJDIKPUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139028
OC(C1C2C1CCCC2)Cc1ccc(cc1)I	PC-id_115802749	342.215	CGBZEGZNQOJLNR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139029
Clc1cc(cc(c1)Cl)CC(C(=O)O)NC(=O)C1C2C1CCC2	MCULE-9779026560,PC-id_120219722,EMOLS-id_72034359	342.217	ISKLRSMGEYGQTJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139030
O=C(C1C2C1CCC2)NC(c1ccc(c(c1)Cl)Cl)(C(=O)O)C	PC-id_121951349,MCULE-1736663814,EMOLS-id_72611637	342.217	KALBZJXSMFFVNP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139031
NNC(C1C2C1CCC2)Cc1ccc(cc1)I	PC-id_105310350	342.219	KSZPFDILLRQYAW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139032
NNC(C1CC2C(C1)C2)Cc1ccc(cc1)I	PC-id_105310276	342.219	PYZRCOSRHABRCC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139033
FC(C(C(C(COCC1CCC2C(C1)O2)(F)F)(F)F)(F)F)F	PC-id_102456598	342.226	OWGQSELVYPJCTQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-139034
CC(C1CCC(C(O1)OC1C(CC(=O)C2C(N2)(CC1N)C)O)N)N	PC-id_164115422	342.227	YAQFOSYOWMSGQG-UHFFFAOYSA-N	00100000000010000100010000000000000000000000000000000000	22-01-139035
CCCCOC1=CC=CC=C1/C=NNC(=O)C2C3C2CCCCCC3	PC-id_154809349	342.231	FBACRZTZPVGHSM-JCMHNJIXSA-N	00100000000000110100010000000000000000000000000000000000	22-01-139036
CC(C)n1ncc(Br)c1C(=O)N[C@]12C[C@H]1COC2(C)C	ZINC22_2325811336	342.231	QEKBYVQLLPWETM-LKFCYVNXSA-N	00100010100000000001010000000000000000000000000000000000	22-01-139037
CC(C)n1ncc(Br)c1C(=O)N[C@@]12C[C@@H]1COC2(C)C	ZINC22_2325811337	342.231	QEKBYVQLLPWETM-OTYXRUKQSA-N	00100010100000000001010000000000000000000000000000000000	22-01-139038
CC(C)n1ncc(Br)c1C(=O)N[C@@]12C[C@H]1COC2(C)C	ZINC22_2325811338	342.231	QEKBYVQLLPWETM-XPTSAGLGSA-N	00100010100000000001010000000000000000000000000000000000	22-01-139039
CC(C)n1ncc(Br)c1C(=O)N[C@]12C[C@@H]1COC2(C)C	ZINC22_2325811339	342.231	QEKBYVQLLPWETM-YMTOWFKASA-N	00100010100000000001010000000000000000000000000000000000	22-01-139040
OC[C@]12C[C@H]1CCCN2C(=O)c1nn(cc1Br)C(C)C	EMOLS-id_320156138,MCULE-6982163222	342.231	QIEMZCABQMJRQS-QMTHXVAHSA-N	00100000100010000001010000000000000000000000000000000000	22-01-139041
OC[C@]12C[C@H]1CCCN2C(=O)c1[nH]nc(c1Br)C(C)C	EMOLS-id_318787976	342.232	SVSKQLCKRYQXBI-YMTOWFKASA-N	00100000100010000001010000000000000000000000000000000000	22-01-139042
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OC[C@]12C[C@H]1CCCN2C(=O)Cn1nc(c(c1C)Br)C	EMOLS-id_319096342	342.232	ZOKGWAFHFSXVOB-BXUZGUMPSA-N	00100000100010000001010000000000000000000000000000000000	22-01-139044
CN(CCn1ncc(c(c1=O)Br)NC1C2C1CNC2)C	PC-id_114443928	342.235	PTEVTCKUJDSZSD-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-139045
CC(S(=O)(=O)CC1(I)C2C1CCC2)(C)C	PC-id_70332260,SCHEMBL8281547	342.237	JXMQJZWYIXPFQZ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-139046
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COC(=O)C1=CC(=CC2(C1O2)C(=O)OC)S(=O)(=O)C(F)(F)F	PC-id_141049279	342.245	KJXPUXSGEVBMAX-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-139048
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Br[C@@H]1C=CC[C@H]2[C@@H](CC1)N2S(=O)(=O)c1ccccc1	PC-id_98172751	342.251	HQSWHQYJVQENOD-GVCFFYALSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139054
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N1(C(C2CC2C1)Cc1c(Cl)cccc1Cl)C(=O)OC(C)(C)C	MCULE-5481961723	342.26	FXFOWUKTDQNQGC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139057
OC[C@]12C[C@H]1CCCN2C(=O)C(Cc1ccc(cc1Cl)Cl)C	EMOLS-id_320201463,MCULE-4961165544	342.26	IUZJKBAZJQMBHL-STQVRIHGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139058
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OC(c1c(Br)cnn1CCN(C)C)C1C2C1CCCC2	PC-id_115834998	342.275	WFJXUZAFIMHDDG-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-139063
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C[C@H]1C=CCCC1CN1CCC(C1)C[C@@H](C)CC1C2[C@@]1(C=CCC2)N	PC-id_163801042	342.303	NEZDBBSEWDPGLE-NLOKVJAPSA-N	00100010000011000000010000000000000000000000000000000000	22-01-139067
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CCC1(C(=O)O)C2C1CC(C2=O)Cc1cccc(c1)OC(F)(F)F	PC-id_67718340,SCHEMBL8891857	342.31	XIFXWYXGUODUCJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139069
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[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C(=O)CCCc1onc(c2cccnc2)n1	EMOLS-id_55659090,MCULE-7928666289,ZINC22_244763901	342.349	OXKPSGOGTRXSFD-JYAVWHMHSA-N	00100010100000101001110000000000000000000000000000000000	22-01-139119
COc1cc(C(=O)N2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)on1	ZINC22_2055747135,EMOLS-id_313761014	342.349	KYRWXWSESQHTEX-CLLJXQQHSA-N	00100010100000101001010000000000000000000000000000000000	22-01-139120
CC(C)(COc1ccccc1C(F)(F)F)NC(=O)C1C2C1CNC2	PC-id_86293129	342.356	OANOXKUAEXJNQJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139121
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Cc1cc(C(=O)N2CC[C@H]3C[C@]23C(=O)Nc2cccc(F)c2)n(C)n1	ZINC22_2056225054	342.367	ZLIRHHBAYZFWCB-SGTLLEGYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-139139
Cc1cc(C(=O)N2CC[C@@H]3C[C@]23C(=O)Nc2cccc(F)c2)n(C)n1	ZINC22_2056225055	342.367	ZLIRHHBAYZFWCB-XIKOKIGWSA-N	00100010100000110001010000000000000000000000000000000000	22-01-139140
Fc1ccc(cc1)c1cc(nn1C)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319954216,MCULE-8946227159	342.367	XAGPISBUHQFWOK-XIKOKIGWSA-N	00100000100010110001110000000000000000000000000000000000	22-01-139141
Fc1ccc(c(c1)C)n1ccc(n1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_320237336,MCULE-8973053985	342.367	VAJAWRSURVVARU-XIKOKIGWSA-N	00100000100010110001110000000000000000000000000000000000	22-01-139142
Fc1ccc(cc1)n1cc(c(n1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	EMOLS-id_319781138	342.367	SQFYNOGPQKRWDT-XIKOKIGWSA-N	00100000100010110001110000000000000000000000000000000000	22-01-139143
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OC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)Nc1nc(ccc1N)c1ccc(cc1)F	SCHEMBL18380004	342.367	XPHZXRDZTNUNDF-WDNDVIMCSA-N	00100010000000111000110000000000000000000000000000000000	22-01-139145
CC(C)[C@@H]1OC[C@@H]2[C@H](CO1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1	CHEMBL320234	342.368	KFJZWVNXYVVSOG-SPNCFVGKSA-N	00100000000000110101010000000000000000000000000000000000	22-01-139146
S(=O)(=O)(N1C2C1COC(OC2)C(C)C)c1ccc([N+](=O)[O-])cc1	PC-id_15197397	342.368	KFJZWVNXYVVSOG-UHFFFAOYSA-N	00100000000000110101010000000000000000000000000000000000	22-01-139147
S(=O)(=O)(N1[C@H]2[C@@H]1COC(OC2)C(C)C)c1ccc([N+](=O)[O-])cc1	PC-id_9997470	342.368	KFJZWVNXYVVSOG-DGKWVBSXSA-N	00100000000000110101010000000000000000000000000000000000	22-01-139148
Fc1ccc(cc1C(F)(F)F)CNCC1C2C1CN(C2)CC1CC1	PC-id_69469865,SCHEMBL5510202	342.374	BURAVQCNFBZJAT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139149
FC(c1cc(CCNC(=C)C2C3C2CNC3)cc(c1)C(F)(F)C)F	PC-id_144442038	342.374	WSAVMRYDDCOFMZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139150
CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1cccnc1)c1ccc(F)cc1F	PC-id_100900528,ZINC22_230156862	342.382	VENNAXZFUQBOGL-SPYBWZPUSA-N	00100010000010111000010000000000000000000000000000000000	22-01-139151
CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@@H](c1cccnc1)c1ccc(F)cc1F	ZINC22_195534799,PC-id_99848264	342.382	VENNAXZFUQBOGL-CLCXKQKWSA-N	00100010000010111000010000000000000000000000000000000000	22-01-139152
CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	PC-id_99848263,ZINC22_195534793	342.382	MRMPXTVYAKQYBJ-SPYBWZPUSA-N	00100010000010111000010000000000000000000000000000000000	22-01-139153
CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1cccnc1)c1ccc(F)c(F)c1	ZINC22_110665154,PC-id_99107225	342.382	MRMPXTVYAKQYBJ-CLCXKQKWSA-N	00100010000010111000010000000000000000000000000000000000	22-01-139154
CN(C(=O)[C@@H]1[C@H]2CCC[C@@H]12)[C@H](c1cccnc1)c1ccc(F)cc1F	ZINC22_252487272	342.382	VENNAXZFUQBOGL-LVFSCSRESA-N	00100010000010111000010000000000000000000000000000000000	22-01-139155
CN(C(=O)[C@@H]1[C@H]2CCC[C@@H]12)[C@@H](c1cccnc1)c1ccc(F)cc1F	ZINC22_252487275	342.382	VENNAXZFUQBOGL-SFUIVIKGSA-N	00100010000010111000010000000000000000000000000000000000	22-01-139156
CN(C(=O)[C@@H]1[C@H]2CCC[C@@H]12)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	ZINC22_252486742	342.382	MRMPXTVYAKQYBJ-LVFSCSRESA-N	00100010000010111000010000000000000000000000000000000000	22-01-139157
CN(C(=O)[C@@H]1[C@H]2CCC[C@@H]12)[C@H](c1cccnc1)c1ccc(F)c(F)c1	ZINC22_252486743	342.382	MRMPXTVYAKQYBJ-SFUIVIKGSA-N	00100010000010111000010000000000000000000000000000000000	22-01-139158
Fc1ccc(c(c1)F)[C@@H](N(C(=O)C1[C@@H]2[C@H]1CCC2)C)c1cccnc1	PC-id_97221354	342.382	VENNAXZFUQBOGL-VTLWGUCJSA-N	00100010000010111000010000000000000000000000000000000000	22-01-139159
Fc1ccc(c(c1)F)[C@H](N(C(=O)C1[C@@H]2[C@H]1CCC2)C)c1cccnc1	PC-id_97221355	342.382	VENNAXZFUQBOGL-SQPFWDBASA-N	00100010000010111000010000000000000000000000000000000000	22-01-139160
Fc1ccc(c(c1)F)C(N(C(=O)C1C2C1CCC2)C)c1cccnc1	EMOLS-id_49092490,PC-id_84585809,MCULE-9917520347	342.382	VENNAXZFUQBOGL-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-139161
Fc1ccc(C(CCCN2C3C(NC2=O)C3)c2ccc(F)cc2)cc1	SCHEMBL4291616,PC-id_24738008	342.382	PRSFDICVNNTHQC-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-139162
Fc1ccc(C(CCCN2[C@@H]3[C@H](NC2=O)C3)c2ccc(F)cc2)cc1	PC-id_57775708,SCHEMBL13780832	342.382	PRSFDICVNNTHQC-MOPGFXCFSA-N	00100010000000110001010000000000000000000000000000000000	22-01-139163
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Fc1cc(C(N(C(=O)C2C3C2CCC3)C)c2cccnc2)ccc1F	EMOLS-id_49092484,MCULE-4676385291,PC-id_84585806	342.382	MRMPXTVYAKQYBJ-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-139164
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Cc1ccc(cc1)C1OCCCC1CNC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_318040185	342.475	POCVYSSNACZFTL-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-139363
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COc1cccc([C@H](CNC(=O)C[C@@]23CCC[C@@H]2C3)N2CCCC2)c1	ZINC22_1875308872	342.475	DRGINEVOVNSWGX-LMNJBCLMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139384
COc1cccc([C@H](CNC(=O)C[C@]23CCC[C@@H]2C3)N2CCCC2)c1	ZINC22_1875308873	342.475	DRGINEVOVNSWGX-SLYNCCJLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139385
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Cc1ccnc(N2CCC[C@H](CCNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]34)C2)n1	ZINC22_1875345618	342.478	DHDYFZMPZFYOPY-BRSBDYLESA-N	00100000000010100001110000000000000000000000000000000000	22-01-139413
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CC1CN(CCC1NC(=O)N1CC2C(C1)C2(C)C)Cc1ccccn1	PC-id_75375366,EMOLS-id_48246097,MCULE-9932550292	342.478	VZPQVDHMSADGPV-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-139417
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C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C	PC-id_98203816,ZINC22_101388453	342.478	VZPQVDHMSADGPV-DDBAPUKQSA-N	00100010000010101000010000000000000000000000000000000000	22-01-139420
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C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N1C[C@H]2[C@@H](C1)C2(C)C	ZINC22_246486063	342.478	VZPQVDHMSADGPV-NRSFXHEJSA-N	00100010000010101000010000000000000000000000000000000000	22-01-139422
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CC(=CCSc1ccccc1)C#CC12C(CC(CC1(O2)C)O)(C)C	PC-id_87525073	342.495	CXSZEXSUNNJPIF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139428
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CC(CC(=O)N1CCC(CC1)NS(=O)(=O)C1C2C1CCCC2)C	MCULE-7687254427,EMOLS-id_320278085	342.497	CLMFBQPZQYOTCC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-139432
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CCO/N=C(/C1C2C1CN(C2)C(=O)O)c1ccc(c(c1)Cl)Cl	SCHEMBL898730	343.205	IZRFJMSHMRQJDY-NBVRZTHBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139531
CCON=C(C1C2C1CN(C2)C(=O)O)c1cc(c(cc1)Cl)Cl	SCHEMBL898731,PC-id_87173552	343.205	IZRFJMSHMRQJDY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139532
Clc1cc(cc(c1)Cl)C(C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)O	EMOLS-id_318936857	343.205	PZNBNFDZXCMMIO-JHIPWMEOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139533
Clc1ccc(c(c1)Cl)OCC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319432978	343.205	GJOZRMNAMWQWGS-PSLIRLAXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139534
Clc1cc(OCC(=O)N2CCC[C@H]3[C@@]2(C3)C(=O)N)cc(c1)Cl	EMOLS-id_319042358	343.205	YTTJCZSKMWIQLR-PSLIRLAXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139535
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)C(c1ccc(c(c1)Cl)Cl)O	EMOLS-id_319043457	343.205	BURSJXYXGZJBEG-JHIPWMEOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139536
Cc1nc(N[C@H]2C[C@@H]([C@H]3[C@@H]2C3)C)c(c(n1)C)I	SCHEMBL12037501,PC-id_58570958	343.207	LXXYBCFXFWDAJK-JGBZZBSPSA-N	00100010000010100001010000000000000000000000000000000000	22-01-139537
Ic1c(NC2C3C(C3)C(C2)C)nc(nc1C)C	PC-id_76833475	343.207	LXXYBCFXFWDAJK-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-139538
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3CCOCC3)C4=CC=CC=C4C(=O)N	PC-id_153288949	343.215	YYDJKTZMFVSYNU-HHJVWUAYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139539
CCC(C(=O)O)NC12C(C1(C)C)CC(C(C2=O)(C)OC(C)(C)C)F	PC-id_150269654	343.216	GDHITMQMYDANRQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-139540
CC1CN(C2C(O2)NC1SCCC(C1CCCCN1C)OC)C	PC-id_164003189	343.229	UKTLFPIRZXKXCT-UHFFFAOYSA-N	00100000000010000101010000000000000000000000000000000000	22-01-139541
BrC(C1C2C1CCCC2)c1cc(OC)c(OC)cc1F	PC-id_81638003	343.231	ROUUIEQIBRPTGZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139542
CCN1C(=O)NC(=O)C2(C1=C2)NC(=O)c1cc(F)c(c(c1F)F)F	PC-id_143563048	343.233	WNVBALCXGHVKSX-UHFFFAOYSA-N	00110000000010110001010000000000000000000000000000000000	22-01-139543
Cc1cc(c(s1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)Br	EMOLS-id_320337729,MCULE-9079401710	343.239	ANGSKPCRJRCXSZ-OQPBUACISA-N	00100000100110000000010000000000000000000000000000000000	22-01-139544
Cc1sc(c(c1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)Br	EMOLS-id_319379428	343.239	UYDIHDJYXANSFL-OQPBUACISA-N	00100000100110000000010000000000000000000000000000000000	22-01-139545
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cc(c(s1)C)Br	EMOLS-id_320191467,MCULE-3275406109	343.239	IHVXMHUUKFMIFL-OQPBUACISA-N	00100000100110000000010000000000000000000000000000000000	22-01-139546
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1csc(c1C)Br	EMOLS-id_319327976	343.239	VARMBPGCKNZCLK-OQPBUACISA-N	00100000100110000000010000000000000000000000000000000000	22-01-139547
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1scc(c1Br)C	EMOLS-id_319457420	343.239	BNKHVLXZHGZQET-OQPBUACISA-N	00100000100110000000010000000000000000000000000000000000	22-01-139548
CC(C)(COc1c(cc(cn1)Cl)Cl)NC(=O)C1C2C1CCC2	PC-id_136516622,EMOLS-id_316876102,MCULE-1670599377	343.248	IJKZTOMXDPIYTE-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-139549
CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)C1[C@H]2CCC[C@H]12	ZINC22_154038370	343.248	IJKZTOMXDPIYTE-QWRGUYRKSA-N	00100010000010101000010000000000000000000000000000000000	22-01-139550
CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)C1[C@@H]2CCC[C@@H]12	ZINC22_154038537	343.248	IJKZTOMXDPIYTE-GHMZBOCLSA-N	00100010000010101000010000000000000000000000000000000000	22-01-139551
CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@@H]1[C@H]2CCC[C@@H]12	ZINC22_246291029	343.248	IJKZTOMXDPIYTE-PJXYFTJBSA-N	00100010000010101000010000000000000000000000000000000000	22-01-139552
CC(CN(C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)C)Oc1ccc(c(c1)Cl)Cl	EMOLS-id_319420397	343.248	OBKKYGSPUXIRBP-HSFQCZIQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139553
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1)C(F)(F)F	ZINC22_1704316362,EMOLS-id_317352321,PC-id_135103937,MCULE-9226215436	343.255	NLWMYLUBTPUPKK-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139554
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cccc(c1)C(F)(F)F	ZINC22_1704335029,MCULE-6006545648,EMOLS-id_317359030,PC-id_135109533	343.255	JMJJLAKVQHLFDQ-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139555
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1c(F)cc(cc1F)F	EMOLS-id_317334709,PC-id_135111388,MCULE-3612566272,ZINC22_1704327293	343.255	BVDHVDBGXAFWNP-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139556
BrC(C1C2C1CCC2)c1ccc(Oc2ccccc2)cc1	PC-id_81638300	343.258	DTFRQRWVFHOMKO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139557
BrC(C1CC2C(C2)C1)c1ccc(Oc2ccccc2)cc1	PC-id_80468872	343.258	PEHOWVUGTHOITC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139558
NNC(c1c(Br)cnn1CCOC)C1C2C1CCCC2	PC-id_105337355	343.263	KQYSHSMRDQTRGB-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-139559
CCC(/C=C(CC(C)C)/[C@]12CC1[C@H](C=N2)C)O[C@@]3(C[C@@H](C=C3)C)CC	PC-id_152794234	343.288	SKZKNZTVHCJESV-OXWRGVIXSA-N	00100011000000000000010000000000000000000000000000000000	22-01-139560
CC([Si](C(C)C)(O[C@@H]1C=C(Br)C(=O)[C@@H]2[C@H]1O2)C#C)C	PC-id_101516613	343.288	UAGUFOOTZYDSIP-KWCYVHTRSA-N	00100000000011000000010000000000000000000000000000000000	22-01-139561
FC(F)(F)c1c(COC(=O)C2(N)C3C(C3C(=O)O)CC2)cccc1	PC-id_23569558	343.298	QKSRXPHPGQMPNQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139562
FC(F)(F)c1c(COC(=O)[C@@]2(N)[C@H]3[C@H]([C@@H]3C(=O)O)CC2)cccc1	PC-id_10126423	343.298	QKSRXPHPGQMPNQ-OXUWNYNTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139563
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cn1cc(ccc1=O)C(F)(F)F	EMOLS-id_319635676	343.301	QNLQHCPPNBATGL-OTYXRUKQSA-N	00100000000010101000010000000000000000000000000000000000	22-01-139564
Cc1c(C[C@H](NC(=O)[C@]23OCCC[C@@H]2C3(F)F)C(=O)O)cnn1C	ZINC22_2325792610	343.326	YTNSMWRFSQNKPQ-COPLHBTASA-N	00100000100010000001010000000000000000000000000000000000	22-01-139565
Cc1c(C[C@H](NC(=O)[C@]23OCCC[C@H]2C3(F)F)C(=O)O)cnn1C	ZINC22_2325792611	343.326	YTNSMWRFSQNKPQ-MISXGVKJSA-N	00100000100010000001010000000000000000000000000000000000	22-01-139566
Cc1c(C[C@H](NC(=O)[C@@]23OCCC[C@@H]2C3(F)F)C(=O)O)cnn1C	ZINC22_2325792612	343.326	YTNSMWRFSQNKPQ-MJVIPROJSA-N	00100000100010000001010000000000000000000000000000000000	22-01-139567
Cc1c(C[C@H](NC(=O)[C@@]23OCCC[C@H]2C3(F)F)C(=O)O)cnn1C	ZINC22_2325792613	343.326	YTNSMWRFSQNKPQ-WDMOLILDSA-N	00100000100010000001010000000000000000000000000000000000	22-01-139568
Fc1cccc(NC(=O)C23CC2CCN3C(=O)c2ccnc(F)c2)c1	EMOLS-id_324110647	343.327	KSVCCYMLQCKBMN-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-139569
O=C(c1ccnc(F)c1)N1CC[C@H]2C[C@@]12C(=O)Nc1cccc(F)c1	ZINC22_2056223984	343.327	KSVCCYMLQCKBMN-KPZWWZAWSA-N	00100010000000111000010000000000000000000000000000000000	22-01-139570
O=C(c1ccnc(F)c1)N1CC[C@@H]2C[C@@]12C(=O)Nc1cccc(F)c1	ZINC22_2056223985	343.327	KSVCCYMLQCKBMN-KZULUSFZSA-N	00100010000000111000010000000000000000000000000000000000	22-01-139571
O=C(c1ccnc(F)c1)N1CC[C@H]2C[C@]12C(=O)Nc1cccc(F)c1	ZINC22_2056223986	343.327	KSVCCYMLQCKBMN-SGTLLEGYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-139572
O=C(c1ccnc(F)c1)N1CC[C@@H]2C[C@]12C(=O)Nc1cccc(F)c1	ZINC22_2056223987	343.327	KSVCCYMLQCKBMN-XIKOKIGWSA-N	00100010000000111000010000000000000000000000000000000000	22-01-139573
OC(=O)C1C2C1C(CC2S(=O)(=O)c1ccccc1F)(N)C(=O)O	PC-id_67721418,SCHEMBL8902942	343.327	MDXVYPLCNNEQIY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139574
O=C(O)c1ccc(S(=O)(=O)N2CCC[C@@H]3C[C@]23C(=O)O)cc1F	MCULE-5500589841,EMOLS-id_317046028,ZINC22_911595329	343.327	FTHZMXJMFZLQMO-CLAHSXSESA-N	00100000000010110000010000000000000000000000000000000000	22-01-139575
O=C1C=CC(O)(C=CC=C/C=C/C(=NC2=C(CCC2=O)O)O)C2OC12	CNP0147734	343.331	GLYJRQGGIVAQIA-UHFFFAOYSA-N	00100011000011000000010000000000000000000000000000000000	22-01-139576
OC1C2C(C2C(=O)O)C(NC(=O)C(NC(=O)C(N)C)C)(C1)C(=O)O	PC-id_72365597	343.332	SOTGYYLAIUUDNT-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-139577
O=C([C@@H](NC(=O)[C@@H](N)C)C)N[C@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)O)O)C(=O)O	SCHEMBL8354243,PC-id_59712894	343.332	SOTGYYLAIUUDNT-TYKSYRABSA-N	00100010000010000000010000000000000000000000000000000000	22-01-139578
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1noc(c2ccc(cc2)C)n1)C(=O)O	MCULE-4739091335,ZINC22_1704328529,PC-id_135110410,EMOLS-id_317334963	343.334	KLZQHGKARISSNI-CALCHBBNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-139579
O1C2C1C(=O)C=C(NC(=O)C1CNC(NC1=O)c1ccccc1)C2O	PC-id_75253924	343.334	ZCPZJIJRPINRMU-UHFFFAOYSA-N	00100000000011110001110000000000000000000000000000000000	22-01-139580
O=C1C([N-][N+]#N)(C2C(C2C(=O)OCC)C1)C(=O)OCc1ccccc1	PC-id_54516274	343.334	YMQAZLNJQNUBFT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139581
C[C@@](CO)(NC(=O)[C@@H]1[C@H]2CCCO[C@@H]12)c1cccc(C(F)(F)F)c1	ZINC22_1413283375	343.341	ASILTHAHMDEELP-KQTLUZQSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139582
C[C@](CO)(NC(=O)[C@@H]1[C@H]2CCCO[C@@H]12)c1cccc(C(F)(F)F)c1	ZINC22_616813621	343.341	ASILTHAHMDEELP-IXYNUQLISA-N	00100000000010110000010000000000000000000000000000000000	22-01-139583
COC(c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]2[C@]1(CO)C2	EMOLS-id_320066720,MCULE-3031310310	343.341	MTSRAKSOXWYJBO-YTXUZFAGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139584
FC(F)(F)C1C2C1N(C(=O)CC2C)Cc1c(OC)cc(OC)cc1	PC-id_75305029	343.341	RFFRWOLCCHTWAM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139585
FC(F)(F)[C@H]1[C@H]2[C@@H]1N(C(=O)C[C@@H]2C)Cc1c(OC)cc(OC)cc1	PC-id_49851143	343.341	RFFRWOLCCHTWAM-JTXWPSEQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139586
FC(F)(F)[C@@H]1[C@H]2[C@@H]1N(C(=O)C[C@@H]2C)Cc1c(OC)cc(OC)cc1	PC-id_49851353	343.341	RFFRWOLCCHTWAM-VMSHGPMGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139587
OC[C@]12C[C@H]1CCCN2C(=O)C(Oc1ccccc1C(F)(F)F)C	EMOLS-id_318820241	343.341	GMFBBWFSHWAICL-ZLXOECBPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139588
OC[C@]12C[C@H]1CCCN2C(=O)C(Oc1ccc(cc1)C(F)(F)F)C	EMOLS-id_319304036	343.341	ZELLDYPBECLTGF-ZUZSALNQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139589
OCC(c1cccc(c1)C(F)(F)F)(NC(=O)[C@H]1[C@H]2[C@@H]1CCCO2)C	MCULE-7568683253,EMOLS-id_317045022	343.341	ASILTHAHMDEELP-QFBZGTDSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139590
OC(C(C(F)(F)F)(c1ccccc1)O)C(=O)N1CC2C(C1)C2(C)C	MCULE-6824438070,EMOLS-id_320033594	343.341	ZBZQYVFDISOEEN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139591
OC(COc1cccc(c1)C(F)(F)F)CNC(=O)C1C2C1CCC2	PC-id_111715187	343.341	ANXKJWZPVRNAPP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139592
CC(C)(COc1cccnc1C(F)(F)F)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12	BindingDB-id_599438,SCHEMBL16252678	343.344	ZPCVDIBEBPUALV-IAZYJMLFSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139593
CC(C)(COc1c(cncc1)C(F)(F)F)NC(=O)C1C2C1CNC2	PC-id_86293884	343.344	FEEWKCJHKQVISW-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139594
CC(C)(COc1ccncc1C(F)(F)F)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12	BindingDB-id_599456,SCHEMBL16252650	343.344	FEEWKCJHKQVISW-IWIIMEHWSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139595
CC(C)(COc1c(nccc1)C(F)(F)F)NC(=O)C1C2C1CNC2	PC-id_86293510,SCHEMBL19724481	343.344	ZPCVDIBEBPUALV-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139596
CC(C)(COc1cnccc1C(F)(F)F)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12	SCHEMBL16252630,BindingDB-id_599483	343.344	UVQOAIKFJAHEPD-IWIIMEHWSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139597
CC(C)(COc1ncccc1C(F)(F)F)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12	SCHEMBL16252623,BindingDB-id_599472	343.344	USNWZHLPKSBFBG-IAZYJMLFSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139598
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cc(n(c1C)CC(F)(F)F)C	EMOLS-id_320339293,MCULE-3170085344	343.344	QGBPZABMPFBMCL-ABAIWWIYSA-N	00100000110010000000010000000000000000000000000000000000	22-01-139599
O=C(C1C2[C@@H]1CNC2)NC(COc1ccncc1C(F)(F)F)(C)C	SCHEMBL19724448	343.344	FEEWKCJHKQVISW-JBLZRFIASA-N	00100010000000101000010000000000000000000000000000000000	22-01-139600
O=C(C1C2[C@@H]1CNC2)NC(COc1cnccc1C(F)(F)F)(C)C	PC-id_144745325	343.344	UVQOAIKFJAHEPD-JBLZRFIASA-N	00100010000000101000010000000000000000000000000000000000	22-01-139601
O=C(C1C2[C@@H]1CNC2)NC(COc1ncccc1C(F)(F)F)(C)C	PC-id_144745295	343.344	USNWZHLPKSBFBG-BMQDGWLCSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139602
O=C(C1C2[C@H]1CNC2)NC(COc1ncccc1C(F)(F)F)(C)C	SCHEMBL19724484	343.344	USNWZHLPKSBFBG-GRZMOONWSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139603
O=C(C1[C@@H]2[C@H]1CNC2)NC(COc1cccnc1C(F)(F)F)(C)C	BindingDB_PC-id_86293510	343.344	ZPCVDIBEBPUALV-DHHPTOIESA-N	00100010000000101000010000000000000000000000000000000000	22-01-139604
O=C(C1[C@@H]2[C@H]1CNC2)NC(COc1ccncc1C(F)(F)F)(C)C	BindingDB_PC-id_86293884	343.344	FEEWKCJHKQVISW-HWYHXSKPSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139605
O=C(C1[C@@H]2[C@H]1CNC2)NC(COc1cnccc1C(F)(F)F)(C)C	BindingDB_PC-id_117709159,SCHEMBL19724885,PC-id_117709159	343.344	UVQOAIKFJAHEPD-HWYHXSKPSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139606
O=C(C1[C@@H]2[C@H]1CNC2)NC(COc1ncccc1C(F)(F)F)(C)C	PC-id_117709156,BindingDB_PC-id_117709156	343.344	USNWZHLPKSBFBG-DHHPTOIESA-N	00100010000000101000010000000000000000000000000000000000	22-01-139607
O=C([C@@H]1C2[C@H]1CNC2)NC(COc1ccncc1C(F)(F)F)(C)C	SCHEMBL19724610	343.344	FEEWKCJHKQVISW-IGQDVTDXSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139608
O=C(N1CC2C(C1)C2(C)C)NCCOc1ncccc1C(F)(F)F	EMOLS-id_100981027	343.344	JKNRPNYPQRIRAL-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-139609
Fc1ccc(cc1)CS[C@@H]1C[C@@H]2[C@H]([C@]1(N)C(=O)O)[C@@]2(F)C(=O)O	PC-id_11233198,SCHEMBL5100502	343.346	NMWYHMLTCKIUDD-ZNLHFFCSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139610
S(C1C(N)(C2C(C2(F)C(=O)O)C1)C(=O)O)Cc1ccc(F)cc1	PC-id_72761953	343.346	NMWYHMLTCKIUDD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139611
FC(F)(F)c1nc(NCCNC(=O)N2CC3C(C3C2)(C)C)ncc1	PC-id_71868183	343.347	FTDOXVOOUHSOQJ-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-139612
Fc1ccc(cc1)c1occ(n1)CC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319314590	343.352	NFRYZCIHWMHKKK-XIKOKIGWSA-N	00100000100010110001110000000000000000000000000000000000	22-01-139613
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CCNC(=O)CN1CCCN(CC1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_318944000	343.485	DLNYBECVNDRSIY-UHFFFAOYSA-N	00100000000010000101010000000000000000000000000000000000	22-01-139823
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Clc1ccc(COC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)cc1	PC-id_72781454	343.735	JMJOEJHKSMMCAT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139873
Clc1cc(COC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)ccc1F	PC-id_72961999	343.735	WDJASXIQNWLMCA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139874
Clc1cc(COC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)ccc1	PC-id_72757074	343.735	VABIEWIYLBKCPA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139875
Clc1cc(CO[C@H]2[C@](N)([C@H]3[C@H]([C@@H]3C(=O)O)C2)C(=O)O)ccc1F	PC-id_11439330	343.735	WDJASXIQNWLMCA-GTBYETLCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139876
Clc1c(COC2C(N)(C3C([C@]3(F)C(=O)O)C2)C(=O)O)cccc1	PC-id_49823793	343.735	DMEPGOCTVGPRHE-QZAWBWADSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139877
Clc1c(COC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)cccc1	PC-id_75289252	343.735	DMEPGOCTVGPRHE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139878
N[C@@]1(C(=O)O)[C@H](OCc2ccccc2Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	BindingDB_PC-id_11163717,PC-id_11163717,CHEMBL362092	343.735	DMEPGOCTVGPRHE-YUVXLREMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139879
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C1C2C(O2)C(C(N1Cc1ccccc1)CCl)OCc1ccccc1	PC-id_90823031	343.847	KYAVRGZLNRQXOA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139884
C1CN2C(O2)(CC1O)C(Cc1ccccc1)Cc1ccc(cc1)Cl	PC-id_134240582,SCHEMBL19849626	343.847	YHJXFSVTAVKGQT-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-139885
ClC[C@H]1N(C[C@H]2O[C@H]2[C@@H]1OCc1ccccc1)Cc1ccccc1	PC-id_45101704	343.847	KYAVRGZLNRQXOA-UAFMIMERSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139886
ClC[C@@H]1N(C[C@@H]2O[C@@H]2[C@H]1OCc1ccccc1)Cc1ccccc1	PC-id_50906531	343.847	KYAVRGZLNRQXOA-MUGJNUQGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139887
CCC12CC1CC(=Nc1c(ccc(c1)C(=O)N)C)N/C(=C/C=C/2)/Cl	PC-id_136490733,SCHEMBL13636501	343.85	FPDOVMXHEGGSAE-ZBAXJECISA-N	00100000000000110110010000000000000000000000000000000000	22-01-139888
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CCNC(C1=C(C2C=[N+]2C(=N1)C#N)C)C1(CCC1)C(=C)C=CCCl	PC-id_90875635	343.874	HIFBRINLAKBAGX-UHFFFAOYSA-N	00111000000011000001010000000000000000000000000000000000	22-01-139890
c1cc(c(c2c1O2)I)I	PC-id_88484290,SCHEMBL9579619	343.888	LHEQNGCVJOLFRM-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-139891
Cc1c(Cl)cccc1NC(=O)C1C2CC/C=C/CC/C=CCCC12	EMOLS-id_1213485,BAS-00402707	343.89	BJQLPOYHBJQLJD-XGXWUAJZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139892
Cc1c(Cl)cccc1NC(=O)C1[C@@H]2CCC=CCCC=CCC[C@@H]12	PC-id_5408932,ZINC22_1559660756	343.89	BJQLPOYHBJQLJD-LGJCEAAXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139893
Cc1c(Cl)cccc1NC(=O)C1[C@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_100521713	343.89	BJQLPOYHBJQLJD-MGACSKSKSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139894
Cc1c(Cl)cccc1NC(=O)C1[C@H]2CC/C=C/CC/C=CCC[C@@H]12	ZINC22_13562523	343.89	BJQLPOYHBJQLJD-IMNAQEROSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139895
Cc1c(Cl)cccc1NC(=O)C1[C@@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_13562525	343.89	BJQLPOYHBJQLJD-WWNYCDCASA-N	00100000000000110110010000000000000000000000000000000000	22-01-139896
Cc1c(Cl)cccc1NC(=O)C1[C@H]2CCC=CCCC=CCC[C@H]12	ZINC22_1559660759,PC-id_5408930	343.89	BJQLPOYHBJQLJD-NBJLRHFZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139897
Cc1c(Cl)cccc1NC(=O)C1[C@H]2CC/C=CCC/C=C/CC[C@H]12	ZINC22_4466721	343.89	BJQLPOYHBJQLJD-GZJKIIHFSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139898
Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2CCC=CCCC=CCC[C@@H]12	ZINC22_1559660760	343.89	BJQLPOYHBJQLJD-YRWFTTLQSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139899
Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_245333860	343.89	BJQLPOYHBJQLJD-LAGYJFMCSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139900
Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_245333861	343.89	BJQLPOYHBJQLJD-PNSOSZFCSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139901
Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@H]12	ZINC22_245333862	343.89	BJQLPOYHBJQLJD-TUKVWLODSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139902
Cc1c(Cl)cccc1NC(=O)[C@H]1[C@H]2CC/C=C/CC/C=CCC[C@@H]12	ZINC22_245333863	343.89	BJQLPOYHBJQLJD-ZDBLOTDCSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139903
Clc1c(c(NC(=O)C2C3C2CCC=CCCC=CCC3)ccc1)C	PC-id_3105177	343.89	BJQLPOYHBJQLJD-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139904
Clc1c(c(NC(=O)C2C3C2CC/C=C/CCC=CCC3)ccc1)C	PC-id_5755379	343.89	BJQLPOYHBJQLJD-NNUXYFOWSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139905
Clc1c(c(NC(=O)C2[C@@H]3[C@@H]2CC/C=C/CCC=CCC3)ccc1)C	PC-id_11891876	343.89	BJQLPOYHBJQLJD-XAGKGOHPSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139906
Clc1c(c(NC(=O)C2[C@H]3[C@H]2CC/C=C/CCC=CCC3)ccc1)C	PC-id_11891877	343.89	BJQLPOYHBJQLJD-DKWYPCNNSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139907
Clc1c(c(NC(=O)C2[C@H]3[C@@H]2CC/C=C/CCC=CCC3)ccc1)C	PC-id_7240360	343.89	BJQLPOYHBJQLJD-OEFBWERQSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139908
Clc1c(c(NC(=O)C2[C@@H]3[C@H]2CCC=CCCC=CCC3)ccc1)C	PC-id_814836	343.89	BJQLPOYHBJQLJD-XEWABKELSA-N	00100000000000110110010000000000000000000000000000000000	22-01-139909
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CC(C)[C@@H]1[C@H]2C[C@]2([C@@H](C1O)O)COP(=O)(CP(=O)(O)O)O	PC-id_160306129	344.079	HKMNSBPFOIVDNC-XXPCOZGVSA-N	00100010000010000000010000000000000000000000000000000000	22-01-139912
BrC(C1C2C1CCC2)Cc1cc(Br)ccc1	PC-id_81637374	344.085	XMLYFDBBRTXTRX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139913
BrC(C1C2C1CCC2)Cc1ccc(Br)cc1	PC-id_81637884	344.085	FZFLEEQTBLFTCN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139914
BrC(C1C2C1CCCC2)c1ccc(Br)cc1	PC-id_81636171	344.085	JWEBQRDHUOCFKU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-139915
BrCC1(CC2C(C2)C1)Cc1c(Br)cccc1	PC-id_80473531	344.085	XBISEWIDRANCRH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139916
BrC(C1CC2C(C2)C1)Cc1cc(Br)ccc1	PC-id_80471896	344.085	LCTJOSMXDBOXIO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139917
BrCC1(CC2C(C2)C1)Cc1cc(Br)ccc1	PC-id_80473214	344.085	QTDXLQOYDVSFDS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139918
BrC(C1CC2C(C2)C1)Cc1ccc(Br)cc1	PC-id_80472130	344.085	XQFGWVJQVJEICL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139919
BrCC1(CC2C(C2)C1)Cc1ccc(Br)cc1	PC-id_80473368	344.085	KIJGMYIPDAJYHR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139920
C1COC(=O)N2C1C2=CCO[S-](#P)I	PC-id_89425914	344.087	PEGYEOWLGUFTOA-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-139921
CCCOC1=C2C(=C(C=C1)CC3=C4C(=C(C=C3)OCCC)S4)S2	PC-id_153778841	344.09	YJGGSGVVUIZUHF-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-139922
CCC(CC1CCC2C(C1)O2)(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O	PC-id_153918310	344.111	NHCQHMCOQOPPSO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-139923
CCC(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)OCC1CCC2C(C1)O2	PC-id_153740773	344.111	JGBHFLBLQAHMBG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-139924
CNC1C[C@H](C[C@H]2[C@@H]1O2)OC(=O)NC3=CC=CC=C3C4=CC=CS4	PC-id_155157212	344.119	MFTBZRHHRROZNB-VVSXCYSXSA-N	00100000100110110000110000000000000000000000000000000000	22-01-139925
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[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(c(Cl)c1)Cl	PC-id_135105674,ZINC22_1704311878,MCULE-4617832674,EMOLS-id_317336702	344.147	VKHNCWAMMVAYFB-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139928
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cccc(Cl)c1Cl	PC-id_135116916,ZINC22_1704336760,MCULE-1097562507,EMOLS-id_317388476	344.147	OOEBUMJOTAAVSM-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139929
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(Cl)cc(Cl)c1	PC-id_135095520,ZINC22_1704306934,MCULE-4021000360,EMOLS-id_317356388	344.147	ZTYDVLRWCMTISH-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139930
CC(C)[C@@]12C[C@@H]1C(C(=O)C2)(C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O	PC-id_154699511	344.147	BMPWRVNLYWBHGK-ZNJAXHRXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-139931
C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)(C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O	PC-id_154700049	344.147	WHRPFNIQYJHGRX-PWKOIPFUSA-N	00100010000010000000010000000000000000000000000000000000	22-01-139932
C[C@H]1[C@H]2C[C@]2(CC1=O)C(C)(C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O	PC-id_154700050	344.147	WHRPFNIQYJHGRX-RZLXBWJHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-139933
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O=C(c1cc(I)ccc1O)NC1C2C1CNC2	PC-id_113994862	344.148	BFWBDTZDXBNOLG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139935
O=C1N(Cc2c(F)ccc(c2F)Br)C(=O)C2C1C2(C)C	PC-id_106269549	344.151	LZSFADCXDWXLMG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139936
N#Cc1ccc(nc1NC[C@]12OCCC[C@H]1C2(F)F)Br	EMOLS-id_319552371	344.155	ZXNOPISNHJLLSE-SKDRFNHKSA-N	00100000000010101000010000000000000000000000000000000000	22-01-139937
C1CCC(C1)C(C2=CC=CC=C2)(C(=O)N3CC4C(C3)C4OC(=O)N)O	PC-id_154131232	344.174	MNNCOIDODINWMI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139938
C1CC2C(C1)C2NC3=NC(=NC(=N3)NC4=CC=NC=C4)C5=CC=CC=C5	PC-id_161106642	344.175	PKXYGOFXVHVPJS-UHFFFAOYSA-N	00100010000010111001110000000000000000000000000000000000	22-01-139939
CC1CC2C(O2)CC1COC(CCl)OCC1CC2C(O2)CC1C	PC-id_164139783	344.175	YVEKRNLLYFWAEM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-139940
CC(c1cc(c(cc1)Cl)Cl)(C(=O)O)NC(=O)C1[C@H]2[C@@H]1COC2	PC-id_136583482	344.19	QYGWWSGBPMNUBM-DURDBZDSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139941
OC(=O)C1C2C1CCC2(N(N1CCCC1)Cc1ccccc1)C(=O)O	PC-id_57164152	344.405	NYZSOCKOMCOOLP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140126
C[C@](NC(=O)[C@@H]1[C@H]2COC[C@@H]12)(C(=O)O)c1ccc(Cl)c(Cl)c1	ZINC22_659157038	344.19	QYGWWSGBPMNUBM-LMAZTLCXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-139942
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Clc1cc(CNC2(C3C(C3C(=O)O)CC2)C(=O)O)ccc1Cl	PC-id_9928075,SCHEMBL5691495	344.19	AGVSAPKDEILFRS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139945
Clc1cc(COC(=O)C2C3C2CCC3(N)C(=O)O)cc(Cl)c1	PC-id_69789514,SCHEMBL6466259	344.19	IVLDLUNBTPYMST-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139946
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Clc1c(COC(=O)C2(N)C3C(C3C(=O)O)CC2)c(Cl)ccc1	PC-id_22173619	344.19	UOGGOHMSRNBPEI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139952
Clc1c(COC(=O)[C@@]2(N)[C@H]3[C@H]([C@@H]3C(=O)O)CC2)ccc(Cl)c1	PC-id_10172700	344.19	WIWUCDWLFYVRJZ-OXUWNYNTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-139953
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COc1ccc(c(c1)S(=O)(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cl	EMOLS-id_319040183	344.814	RGDSDJQUBPGTEN-OTYXRUKQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140387
COc1ccc(cc1S(=O)(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cl	EMOLS-id_319800987	344.814	FZLNENPOIDHSIC-OTYXRUKQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140388
COc1ccc(NC(=O)[C@@]23C[C@@H]2CCN(C)S3(=O)=O)cc1Cl	PC-id_100784056,ZINC22_225953347	344.814	BGKVHZLJNMQHHL-LKFCYVNXSA-N	00100000000010110001010000000000000000000000000000000000	22-01-140389
COc1ccc(NC(=O)[C@]23C[C@@H]2CCN(C)S3(=O)=O)cc1Cl	PC-id_100784058,ZINC22_225953364	344.814	BGKVHZLJNMQHHL-XPTSAGLGSA-N	00100000000010110001010000000000000000000000000000000000	22-01-140390
COc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)cc1Cl	ZINC22_260826471	344.814	BGKVHZLJNMQHHL-OTYXRUKQSA-N	00100000000010110001010000000000000000000000000000000000	22-01-140391
COc1ccc(NC(=O)[C@@]23C[C@H]2CCN(C)S3(=O)=O)cc1Cl	ZINC22_260826472	344.814	BGKVHZLJNMQHHL-YMTOWFKASA-N	00100000000010110001010000000000000000000000000000000000	22-01-140392
NC(=O)COc1ccc(cc1S(=O)(=O)N1CCCC2C1C2)Cl	EMOLS-id_318018921	344.814	GAKSAMJVRXCHLE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140393
OCC(C(=O)N1CC2C(C1)C2)NS(=O)(=O)c1ccc(cc1)Cl	EMOLS-id_320290970,MCULE-5479124306	344.814	RVOHPIWWRTZGCJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140394
C1NC[C@H]2[C@@H]1[C@@H]2CN(C(=O)c1ncn(c1)C)Cc1cc(ccc1)Cl	CHEMBL565142	344.839	QSFJWJIJRKTTAK-ZSHCYNCHSA-N	00100010100000110001010000000000000000000000000000000000	22-01-140395
Cc1cn(c2ccc(Cl)cc2)nc1NC(=O)N1C[C@H]2[C@@H](C1)C2(C)C	ZINC22_281371204	344.839	RASXKQJCTUVYKV-GASCZTMLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140396
Cc1cn(c2ccc(Cl)cc2)nc1NC(=O)N1C[C@H]2[C@H](C1)C2(C)C	ZINC22_281371210	344.839	RASXKQJCTUVYKV-GJZGRUSLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140397
Cc1cn(c2ccc(Cl)cc2)nc1NC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C	ZINC22_281371218	344.839	RASXKQJCTUVYKV-HUUCEWRRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140398
Cc1cn(nc1NC(=O)N1CC2C(C1)C2(C)C)c1ccc(cc1)Cl	PC-id_136540159,EMOLS-id_111875139,MCULE-8712636448	344.839	RASXKQJCTUVYKV-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140399
Clc1cccc(c1)n1nc(cc1C)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_110870374	344.839	RSXQLLSMHLVNBI-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140400
Clc1cc(CN(CC2C3C2CNC3)C(=O)c2ncn(c2)C)ccc1	PC-id_56662897	344.839	QSFJWJIJRKTTAK-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-140401
Clc1cc(CN(CC2[C@H]3[C@@H]2CNC3)C(=O)c2ncn(c2)C)ccc1	BindingDB_PC-id_45268691,PC-id_45268691	344.839	QSFJWJIJRKTTAK-XYPWUTKMSA-N	00100010100000110001010000000000000000000000000000000000	22-01-140402
N#Cc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102208960	344.839	QDZXXSODHXZUHI-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-140403
O=C(N1CC2C(C1)C2(C)C)Nc1nn(c(c1)C)c1ccccc1Cl	EMOLS-id_110870994	344.839	FBPSRLABPOLDBE-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140404
CC1(C)CCC2(C1(COS(=O)(=O)C)O2)Cc1ccc(cc1)Cl	SCHEMBL8781471,PC-id_19020746	344.854	SDACDAPWCFNKNY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140405
ClCC(=C)C1C(C(=O)C2(OC2C1)C)(CCC(OCC)OCC)C	PC-id_76954826	344.873	KJPDLXBAWALUOZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-140406
ClCC(=C)[C@@H]1[C@](C(=O)[C@]2(O[C@H]2C1)C)(CCC(OCC)OCC)C	PC-id_62705608	344.873	KJPDLXBAWALUOZ-NONVJHHQSA-N	00100000000010000000010000000000000000000000000000000000	22-01-140407
Clc1ccc(/C=C/C2CCN(C(=O)CN3CC4C(C4)C3)CC2)cc1	PC-id_59686359,SCHEMBL6011948	344.878	IDWXSJKRNXZZAJ-OWOJBTEDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140408
Clc1ccc(C=CC2CCN(C(=O)CN3CC4C(C4)C3)CC2)cc1	PC-id_72358237	344.878	IDWXSJKRNXZZAJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140409
C1CCC(CC1)C/C=C
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N[C@@]1(C(=O)O)[C@H](Sc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O	PD128296,PC-id_77050800	345.05	CRVRLDIXXLOQLP-CBIDHWNRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140411
COCO[C@@H]1C[C@@H]2[C@H](C=C1[Sn](C)(C)C)C2(C)C	PC-id_99772481,ZINC22_169834780	345.056	LIIWVTVDVVKUKL-RFSUKWSBSA-N	00100000000011000000010000000000000000000000000000000000	22-01-140412
Brc1c(C(N)C2C3C2CCC3)cc(Br)cc1	PC-id_81624214	345.073	PLULTUGTAALBQA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140413
Brc1c(C(N)C2CC3C(C3)C2)cc(Br)cc1	PC-id_80467199	345.073	QPICCHPUNYHPQM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140414
BrCC1(CC2C(C1)C2)Cc1ccc(cn1)Br	PC-id_104813391	345.073	ZKDOFYKGICPGKF-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-140415
BrCC1(CC2C(C1)C2)Cc1cncc(c1)Br	PC-id_104813390	345.073	WHQKCHCQPLVONM-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-140416
ClC12OC1(Cl)C=CC(=C2Oc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]	PC-id_56637414	345.092	LSXVDNJSMKTRIN-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-140417
IS(#P)OC/C=C/1C2N1C(=O)OCC2	SCHEMBL14754145	345.094	JXLCAKLFHCCSQI-QHHAFSJGSA-N	00100000000010000001010000000000000000000000000000000000	22-01-140418
CS(=O)(=O)C1C=C(C(CC#C1)C(=O)C1C(=C)CCCC2C1=C2)N=O	PC-id_163560864	345.103	FRCKRZYHQSIJEK-UHFFFAOYSA-N	00110000000000000110010000000000000000000000000000000000	22-01-140419
C1=CC=C(C=C1)COC(=O)[C@@H]2C(C3C(N2)O3)CCC4=CN=C(S4)N	PC-id_147859693	345.115	HWLAFXJITUUTAX-IBLUKRHDSA-N	00100010100000110001010000000000000000000000000000000000	22-01-140420
CCOC(=O)[C@@H]1[C@@H]2C1C[C@H]([C@]2(C(=O)OCC3=CC=CC=C3)N=[N+]=[N-])O	PC-id_154384150	345.132	FGYAUEZLSKRICV-FZGYQSBMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140421
Ic1cc([N+](=O)[O-])c(NC2C3C2CNC3)cc1	PC-id_66081685	345.136	MPIHZAFQDHHBBB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140422
Ic1c(NC2C3C2CNC3)ccc([N+](=O)[O-])c1	PC-id_66094729	345.136	QCXKIIKGVUHCBE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140423
[O-][N+](=O)c1ccc(cc1I)NC1C2C1CNC2	PC-id_113841090	345.136	GXESMYAGLNLOKK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140424
C[C@@H](C1=CC=C(C=C1)C(=O)OC)NC(=O)C2CCC3CC3N2C(=O)[O-]	PC-id_154463950	345.146	VKPSGFMOWARRBG-WWHVLQPJSA-M	00100000000010110000010000000000000000000000000000000000	22-01-140425
COC1[C@@H](CCN1C2=CC=C(C=C2)[Si](=O)NC3C4CC4C=CN3)O	PC-id_147085173	345.151	BHRQBFQTHHAOLA-ZPWZPMEFSA-N	00100010000011110000110000000000000000000000000000000000	22-01-140426
Ic1c(NC(=O)C2C3C2CCC3)ccc(F)c1	PC-id_79833246	345.151	KROLITPJSPVRGH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140427
Ic1c(NC(=O)C2CC3C(C3)C2)ccc(F)c1	PC-id_80467626	345.151	RJSBKGPSIORAQU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140428
CCOC1=C(OC2(C1(C2)C[C@H](C#N)O)OCc1ccccc1)OCC	PC-id_163992539	345.158	UBWORQIPIANNNH-VNCLNFNDSA-N	00100011000000110000010000000000000000000000000000000000	22-01-140429
C1[C@H]2[C@@H]1[C@H](NC2)C(=O)N[C@@H](CCC(=O)N)C(=O)OCC3=CC=CC=C3	PC-id_164956761	345.169	BJPOOTWBHCZKJY-NYTXWWLZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140430
C1C2C(C2C(=O)O)C(C1OCc1cc(c(cc1)Cl)Cl)C(=O)O	PC-id_135160638,SCHEMBL20309433	345.175	VUIQAWMOCWNUKS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140431
C1C([C@H](C2C1C2C(=O)O)C(=O)O)OCc1cc(c(cc1)Cl)Cl	SCHEMBL20309317,PC-id_135160524	345.175	VUIQAWMOCWNUKS-SMHGYMNBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140432
C1[C@@H]2C(C2C(=O)O)[C@@H](C1OCc1cc(c(cc1)Cl)Cl)C(=O)O	SCHEMBL20309364,PC-id_135160570	345.175	VUIQAWMOCWNUKS-VBSJXZONSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140433
C1[C@@H]2[C@@H](C2C(=O)O)[C@@H]([C@@H]1OCc1cc(c(cc1)Cl)Cl)C(=O)O	PC-id_135160564,SCHEMBL20309357	345.175	VUIQAWMOCWNUKS-SFFNUQBRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140434
C1[C@H]([C@H](C2C1C2C(=O)O)C(=O)O)OCc1cc(c(cc1)Cl)Cl	PC-id_135160586,SCHEMBL20309380	345.175	VUIQAWMOCWNUKS-QZUUOXLMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140435
Clc1ccc(cc1Cl)COC12C(CCC1C2C(=O)O)C(=O)O	PC-id_142792857	345.175	IHIGKBYTVFWEMN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140436
OC(=O)[C@@H]1C(OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1C2C(=O)O	PC-id_144383327	345.175	VUIQAWMOCWNUKS-OWTQARTQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140437
Brc1c(NC(=O)N2CC3C(C3C2)(C)C)cc(F)c(F)c1	EMOLS-id_49334188,PC-id_75513860,MCULE-9859746619	345.183	BNLMQWTUGXYCAS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140438
CC1(C)[C@H]2CN(C(=O)Nc3cc(F)c(F)cc3Br)C[C@@H]12	PC-id_97790154,ZINC22_97020253	345.183	BNLMQWTUGXYCAS-OCAPTIKFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140439
CC1(C)[C@@H]2CN(C(=O)Nc3cc(F)c(F)cc3Br)C[C@@H]12	PC-id_98237530,ZINC22_101747151	345.183	BNLMQWTUGXYCAS-HTQZYQBOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140440
CC1(C)[C@H]2CN(C(=O)Nc3cc(F)c(F)cc3Br)C[C@H]12	ZINC22_101747146,PC-id_98237529	345.183	BNLMQWTUGXYCAS-YUMQZZPRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140441
N=C(NOCC1C[C@@H]2[C@@H](C1)C2(F)F)c1ccccc1Br	ZINC22_902621088	345.183	VUHOYYXKRRJTFP-GHMZBOCLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140442
N=C(NOCC1C[C@H]2[C@H](C1)C2(F)F)c1ccccc1Br	ZINC22_902621090	345.183	VUHOYYXKRRJTFP-QWRGUYRKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140443
N=C(NOC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1ccccc1Br	ZINC22_902621089	345.183	VUHOYYXKRRJTFP-GUDFOSOFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140444
O=C(Cc1cc(Br)cc(n1)C)NC1CC2C(C1)C2(F)F	EMOLS-id_319426540	345.183	RINVBAJCIYKBKW-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-140445
Brc1ccc(S(=O)(=O)N2C(C3C(C3)C2)C(=O)[O-])cc1	PC-id_73132120	345.189	UWSISCWAFROVHI-UHFFFAOYSA-M	00100010000000110000010000000000000000000000000000000000	22-01-140446
Brc1ccc(S(=O)(=O)N2[C@H]([C@@H]3[C@@H](C3)C2)C(=O)[O-])cc1	PC-id_11877972	345.189	UWSISCWAFROVHI-BKDNQFJXSA-M	00100010000000110000010000000000000000000000000000000000	22-01-140447
Brc1ccc(S(=O)(=O)N2[C@@H]([C@H]3[C@H](C3)C2)C(=O)[O-])cc1	PC-id_25765449	345.189	UWSISCWAFROVHI-ONOSFVFSSA-M	00100010000000110000010000000000000000000000000000000000	22-01-140448
Brc1ccc(S(=O)(=O)N2[C@H]([C@H]3[C@H](C3)C2)C(=O)[O-])cc1	PC-id_25765451	345.189	UWSISCWAFROVHI-AVPPRXQKSA-M	00100010000000110000010000000000000000000000000000000000	22-01-140449
CCOC(=O)/C=C(C#CC1(C(=C/C(=N/OC)/C2C1(C2)C)C)O)/C(C)C	PC-id_149163450	345.194	AYEPDSCSTWHHIY-QTZLTJLFSA-N	00100000000011000000010000000000000000000000000000000000	22-01-140450
CCN(CC1=CC=CC=C1NC(=O)NC23CC2COC3(C)C)C(=O)C	MCULE-3587968496,PC-id_154780453,EMOLS-id_317758115	345.205	NNNURMSNUMSZCT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140451
CCCCS(=O)NC(CNC(=O)OC(C)(C)C)C1C2C1CNC2	PC-id_155006425	345.209	QFVVLTZRJYAABE-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-140452
Brc1cc(cc(c1)S(=O)(=O)N1CC2C(C1)C2)C(=O)N	EMOLS-id_317998520	345.212	XARHDEDKVRZICK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140453
Clc1ccc(cc1Cl)C(=NOC1=CC=CC#C1)C12CNCC2C1	SCHEMBL18726948	345.223	XRGZBYSYYWHFPO-UHFFFAOYSA-N	00100010000001110000010000000000000000000000000000000000	22-01-140454
Clc1ccc(cc1Cl)C(=NOc1ccccc1)C1=C2C1CNC2	SCHEMBL18726824	345.223	REAGYEIBKCAKDQ-UHFFFAOYSA-N	00110010000000110000010000000000000000000000000000000000	22-01-140455
NNC(C1C2C1CCCC2)Cc1c(F)ccc(c1F)Br	PC-id_106271665	345.226	MWCRSLAXAZDMRH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140456
Brc1cncnc1NC1C2C1CN(C2)Cc1ccccc1	EMOLS-id_107760217	345.237	KOIPRYPUBQJYQE-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-140457
Brc1ccc(cc1)S(=O)(=O)OC1CC[C@@H]2[C@H](CC1)C2	PC-id_139088439,CT-id_2242288	345.252	UGRYPJYGEXBEQK-QYJAPNMZSA-N	00100000000000110100010000000000000000000000000000000000	22-01-140458
Br[C@@]1([C@@H](O)[C@@]2(S(=O)(=O)c3ccccc3)[C@H](C2)CC1)C	PC-id_10427644	345.252	ZTSSKXZJVOGLOO-GHYVTOPFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140459
BrC1(C(O)C2(S(=O)(=O)c3ccccc3)C(C2)CC1)C	PC-id_15202972	345.252	ZTSSKXZJVOGLOO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140460
Brc1cncc(c1)CNS(=O)(=O)C1C2C1CCCC2	MCULE-7965408557,EMOLS-id_320165658	345.255	MNKFYFJLDDMSKY-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-140461
Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1[C@@H]2CNC[C@H]12	EMOLS-id_316875416,ZINC22_420444429,MCULE-3345810125	345.255	REEGLJWIXLIYKL-GDNZZTSVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140462
COc1nsc(c1Br)CNC(=O)C1CCC2C(C1)C2	EMOLS-id_316690897	345.255	IWFULVCEIIDPSO-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-140463
COc1nsc(c1Br)CNC(=O)CC1CCC2C1C2	EMOLS-id_316567470	345.255	WGWFJAHBOYIOGM-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-140464
COc1nsc(c1Br)C(=O)NCC12CCCCC1C2	EMOLS-id_319123671	345.255	DIOQVVWEWITKTR-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-140465
Fc1cc(NCCC2[C@@H]3C2(C3C)C)cc(c1)B1OC(C(O1)(C)C)(C)C	PC-id_145037617	345.259	NMDZQBJWJNYEGJ-XPIBTUSGSA-N	00101010000000110001110000000000000000000000000000000000	22-01-140466
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cccc(c1)OC(F)(F)F)C(=O)O	PC-id_135104125,EMOLS-id_317382766,MCULE-8563028124,ZINC22_1704309587	345.271	XWLSEQUERPVIMS-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140467
C1[C@@H]2[C@@H]([C@]2(C(=O)O)F)C([C@@H]1OCc1cc(c(cc1)F)F)(C(=O)O)N	PC-id_137489488,SCHEMBL20731992	345.271	MRMHYXQUHGBUJY-USLNXXMDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140468
F[C@]1(C2C1CC(OCc1cc(F)cc(F)c1)C2(N)C(=O)O)C(=O)O	PC-id_49823808	345.271	QBGANADCEQEROB-ZPZKJRJUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140469
FC1(C2C1CC(OCc1cc(F)cc(F)c1)C2(N)C(=O)O)C(=O)O	PC-id_72970858	345.271	QBGANADCEQEROB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140470
FC1(C2C1CC(OCc1cc(F)c(F)cc1)C2(N)C(=O)O)C(=O)O	PC-id_72825305	345.271	MRMHYXQUHGBUJY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140471
FC1(C2C1CC(OCc1c(F)cccc1F)C2(N)C(=O)O)C(=O)O	PC-id_72979637	345.271	CCAMCPGAZOOUOO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140472
FC1(C2C1CC(OCc1c(F)ccc(F)c1)C2(N)C(=O)O)C(=O)O	PC-id_72811493	345.271	RYIOABTWTSQFTK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140473
F[C@]1(C2C1CC(OCc1c(F)cc(F)cc1)C2(N)C(=O)O)C(=O)O	PC-id_49823792	345.271	ACALBGGRLIEDFO-QZAWBWADSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140474
FC1(C2C1CC(OCc1c(F)cc(F)cc1)C2(N)C(=O)O)C(=O)O	PC-id_72786186	345.271	ACALBGGRLIEDFO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140475
F[C@]1(C2C1CC(OCc1c(F)c(F)ccc1)C2(N)C(=O)O)C(=O)O	PC-id_49823790	345.271	JFOVWTWJGNBRCJ-DELWBKHASA-N	00100010000010110000010000000000000000000000000000000000	22-01-140476
FC1(C2C1CC(OCc1c(F)c(F)ccc1)C2(N)C(=O)O)C(=O)O	PC-id_72979636	345.271	JFOVWTWJGNBRCJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140477
N[C@@]1(C(=O)O)[C@H](OCc2cccc(F)c2F)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	BindingDB_PC-id_11484738,PC-id_11484738,CHEMBL426983	345.271	JFOVWTWJGNBRCJ-WJRHDCNNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140478
N[C@@]1(C(=O)O)[C@H](OCc2ccc(F)cc2F)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	PC-id_11290903,CHEMBL188511,BindingDB_PC-id_11290903	345.271	ACALBGGRLIEDFO-YUVXLREMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140479
N[C@@]1(C(=O)O)[C@H](OCc2ccc(F)c(F)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	SCHEMBL19508559,BindingDB_PC-id_11382367,PC-id_11382367,CHEMBL186630	345.271	MRMHYXQUHGBUJY-JAGWWQSPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140480
N[C@@]1(C(=O)O)[C@H](OCc2cc(F)ccc2F)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	CHEMBL365018,PC-id_11348518,BindingDB_PC-id_11348518	345.271	RYIOABTWTSQFTK-YUVXLREMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140481
N[C@@]1(C(=O)O)[C@H](OCc2cc(F)cc(F)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	BindingDB_PC-id_11462089,CHEMBL188532,PC-id_11462089	345.271	QBGANADCEQEROB-ZNLHFFCSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140482
N[C@@]1(C(=O)O)[C@H](OCc2c(F)cccc2F)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	CHEMBL361051,PC-id_11484739,BindingDB_PC-id_11484739	345.271	CCAMCPGAZOOUOO-JAGWWQSPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140483
OC(=O)[C@@H]1CO[C@@H]2[C@H](N1C(=O)OCc1ccccc1)C2C(F)(F)F	PC-id_121604448	345.271	OCFPASRILSDEOL-BEZGRXCVSA-N	00100000000010110001010000000000000000000000000000000000	22-01-140484
COC(=O)N[C@H]1[C@@H](OC(=O)C)[C@H]2O[C@H]2[C@@H]([C@H]1C(=O)OC)OC(=O)C	PC-id_102576634	345.302	ONCZJJZCEXXFSG-HDYISPSHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-140485
COC(=O)N[C@H]1[C@@H](OC(=O)C)[C@@H]2O[C@@H]2[C@@H]([C@H]1C(=O)OC)OC(=O)C	PC-id_102576635	345.302	ONCZJJZCEXXFSG-OJEYFTNHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-140486
CC(=O)Oc1c(cccc1C(=O)NC12CC=CC(=O)C1O2)OC(=O)C	PC-id_140121265	345.303	OKILHRXYHXHFDG-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-140487
O1C2C1C(=O)C=C(NC(=O)c1c(OC(=O)C)cccc1)C2OC(=O)C	PC-id_66561534	345.303	FFZOBZDKOWFQKI-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-140488
CC1(C)OC[C@@H]2C[C@]12NC(=O)Nc1ccc(OCC(F)(F)F)nc1	ZINC22_528909666	345.317	OEJFNRHPPIEQBY-LKFCYVNXSA-N	00100010000000101000010000000000000000000000000000000000	22-01-140489
CC1(C)OC[C@H]2C[C@@]12NC(=O)Nc1ccc(OCC(F)(F)F)nc1	ZINC22_528909681	345.317	OEJFNRHPPIEQBY-OTYXRUKQSA-N	00100010000000101000010000000000000000000000000000000000	22-01-140490
CC1(C)OC[C@@H]2C[C@@]12NC(=O)Nc1ccc(OCC(F)(F)F)nc1	ZINC22_528909687	345.317	OEJFNRHPPIEQBY-XPTSAGLGSA-N	00100010000000101000010000000000000000000000000000000000	22-01-140491
CC1(C)OC[C@H]2C[C@]12NC(=O)Nc1ccc(OCC(F)(F)F)nc1	ZINC22_528909693	345.317	OEJFNRHPPIEQBY-YMTOWFKASA-N	00100010000000101000010000000000000000000000000000000000	22-01-140492
FC(F)(F)C(=O)NC(C1(CCC1)CO)C(=O)N1C2C(C2)CC1C#N	PC-id_21339076	345.317	LHKXZVMBDYIEPF-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-140493
FC(F)(F)C(=O)N[C@@H](C1(CCC1)CO)C(=O)N1[C@@H]2[C@@H](C2)C[C@H]1C#N	PC-id_59891423	345.317	LHKXZVMBDYIEPF-VPOLOUISSA-N	00101010000000000000010000000000000000000000000000000000	22-01-140494
O=C(NC12CC1COC2(C)C)Nc1ccc(nc1)OCC(F)(F)F	MCULE-2457960634,EMOLS-id_177293983	345.317	OEJFNRHPPIEQBY-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-140495
CCCO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(=O)O)[C@]1(NC(=O)OCC=C)C(=O)O	BindingDB-id_914874,SCHEMBL19508600	345.32	JBMRVZCRORVBOW-BVDPADPGSA-N	00100010000010000000010000000000000000000000000000000000	22-01-140496
O=C([C@@H](NC(=O)[C@@H](N)C)C)N[C@@]1(C(=O)O)[C@@H](F)C[C@@H]2[C@H]1[C@H]2C(=O)O	PC-id_140274653	345.324	UNEKBPYTAUEXPP-TYKSYRABSA-N	00100010000010000000010000000000000000000000000000000000	22-01-140497
Cc1nnnn1c1cc(F)cc(C(=O)N[C@@H]2CC[C@@H]3C[C@]23C(=O)O)c1	ZINC22_1875360522	345.328	CQDSOMKWYOKYEV-CKUKBARFSA-N	00100010100010110001110000000000000000000000000000000000	22-01-140498
Cc1nnnn1c1cc(F)cc(C(=O)N[C@@H]2CC[C@H]3C[C@]23C(=O)O)c1	ZINC22_1875360523	345.328	CQDSOMKWYOKYEV-OWRWGESLSA-N	00100010100010110001110000000000000000000000000000000000	22-01-140499
Cc1nnnn1c1cc(F)cc(C(=O)N[C@@H]2CC[C@H]3C[C@@]23C(=O)O)c1	ZINC22_1875360524	345.328	CQDSOMKWYOKYEV-WNMQOVRZSA-N	00100010100010110001110000000000000000000000000000000000	22-01-140500
Cc1nnnn1c1cc(F)cc(C(=O)N[C@@H]2CC[C@@H]3C[C@@]23C(=O)O)c1	ZINC22_1875360525	345.328	CQDSOMKWYOKYEV-ZXIHIIQKSA-N	00100010100010110001110000000000000000000000000000000000	22-01-140501
COP(=O)(OCCCNC(=O)OCC1C2C1CCC#CCC2)O	SCHEMBL17945374,PC-id_122427140	345.328	OHZLAFRJLNSXDA-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-140502
O=C(N[C@@H]1[C@H]2CCCC(F)(F)[C@H]12)c1cccc(Oc2cnccn2)c1	ZINC22_1875308517	345.343	JTCZDNRGQMSYKB-CWRNSKLLSA-N	00100000000010110001010000000000000000000000000000000000	22-01-140503
O=C(N[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]12)c1cccc(Oc2cnccn2)c1	ZINC22_1875308518	345.343	JTCZDNRGQMSYKB-FVQBIDKESA-N	00100000000010110001010000000000000000000000000000000000	22-01-140504
O=C(N[C@@H]1[C@H]2CCCC(F)(F)[C@@H]12)c1cccc(Oc2cnccn2)c1	ZINC22_1875308519	345.343	JTCZDNRGQMSYKB-NUEKZKHPSA-N	00100000000010110001010000000000000000000000000000000000	22-01-140505
O=C(N[C@H]1[C@@H]2[C@H]1CCCC2(F)F)c1cccc(Oc2cnccn2)c1	ZINC22_1875308520	345.343	JTCZDNRGQMSYKB-VNQPRFMTSA-N	00100000000010110001010000000000000000000000000000000000	22-01-140506
CCC1(C(=O)O)C2C1(C(=O)O)C(=C=O)N(CC2)OCc1ccccc1	PC-id_140375592	345.347	XIGXCBQREHDDTL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140507
CC(C)CC(=O)Oc1ccccc1C(=O)N(C1=CC(=O)C2C(C1)O2)O	PC-id_87222887,SCHEMBL1285982	345.347	MCHPCIHBJFHENJ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-140508
CC(CC(=O)Oc1ccccc1C(=O)NC1=CC(=O)C2C(C1O)O2)C	PC-id_49847505,SCHEMBL1285979	345.347	BRMIGFHVOBCMOT-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-140509
CCOC(=O)C1C2C1C(C(C2)O)(C(=O)OCc1ccccc1)N=[N+]=[N-]	PC-id_86755665	345.35	FGYAUEZLSKRICV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140510
O=C(C1C2C1CCCC2)NCCC(C(F)(F)F)(c1nccn1C)O	PC-id_111520379	345.36	VRHHEZAASCKZHI-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-140511
Fc1ccc(cc1)N1CCC(C1=O)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_318986446	345.368	NQUVRLSQTKAVDN-LVZSZMSFSA-N	00100010000010110000110000000000000000000000000000000000	22-01-140512
Fc1ccc(cc1)N1CC(CC1=O)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319834441	345.368	XPLMATFUYKLRAU-ZWWFTLBQSA-N	00100010000010110000110000000000000000000000000000000000	22-01-140513
O=C1CC(CN1c1ccccc1F)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319092966	345.368	HGRBBXQMJHVLDK-ZWWFTLBQSA-N	00100010000010110000110000000000000000000000000000000000	22-01-140514
O(CCN)B(C1C2C(C2(C)C)CCC1C)C1C2C(C2(C)C)CCC1C	PC-id_85121045	345.37	UWARQRQVBLTIGO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-140515
O(CCN)B([C@H]1[C@H]2[C@H](C2(C)C)CC[C@@H]1C)[C@H]1[C@H]2[C@H](C2(C)C)CC[C@@H]1C	PC-id_10360190	345.37	UWARQRQVBLTIGO-IFLAPALPSA-N	00100000000010000000010000000000000000000000000000000000	22-01-140516
CC1[C@H]2[C@@H]1N([C@@H](C2)C(=O)O)C(=O)CNc1ccccc1C(=[NH2+])C(=O)N	PC-id_145690126	345.373	VFNGRTKPMUSNLV-XVFUBRTESA-O	00100010000000110000010000000000000000000000000000000000	22-01-140517
CCN(C1CC(C1)NC(=O)N1CCC2(C(C1)C2(F)F)C)CC(=O)O	PC-id_122026586	345.385	KMTXNBSFATYHBB-UHFFFAOYSA-N	00101000000010000000010000000000000000000000000000000000	22-01-140518
OC(=O)CCCCCOC1CNCC1OC1O[C@@H](C)C2C(C1O)O2	PC-id_144016556	345.388	YYQHBPJLBZAJGN-XUERKZKPSA-N	00100010000010000000010000000000000000000000000000000000	22-01-140519
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1ccccc1OC1CCCC1)C(=O)O	EMOLS-id_317331084,MCULE-4407894014,PC-id_135107493,ZINC22_1704314971	345.39	ZXRZFOANTXALSN-KDURUIRLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140520
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CCCc1ccc(cc1)CC	MCULE-1122830431,PC-id_135114539,EMOLS-id_317360043,ZINC22_1704325136	345.39	JBOBUUSHGWZRFQ-KDURUIRLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140521
CCCCCC(=O)O[C@@H]1C(=CC(=O)[C@H]2[C@@H]1O2)NCc1ccccc1O	PC-id_101523961	345.39	LMWOFHDVNQOONT-CEXWTWQISA-N	00100000000011110000010000000000000000000000000000000000	22-01-140522
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3[C@H](C(=O)O)[C@@H]3CO2)[C@H](c2ccccc2)CO1	ZINC22_2325810128	345.39	YGNNBJLAWAGGJU-AJBGAQICSA-N	00100000000010110001110000000000000000000000000000000000	22-01-140523
O=C[C@@]12C[C@H](N([C@@H]1C2)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	PC-id_142420812	345.39	MCKVUKXGOFKHRW-KHYOSLBOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140524
O=C(O)[C@H]1[C@H]2C[C@@H](C(=O)N3CCOC[C@@H]3Cc3ccccc3)OC[C@@H]12	ZINC22_2325799146	345.39	XPPIGFBISVDUFH-KSWRQPAISA-N	00100000000010110001010000000000000000000000000000000000	22-01-140525
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N)c1ccc(cc1)F	PC-id_67081583,SCHEMBL1572509	345.391	YPYQTNUWVNGXRU-DRZSPHRISA-N	00100010100000110001110000000000000000000000000000000000	22-01-140526
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N)c1cccc(c1)F	SCHEMBL1572196,PC-id_67081411	345.391	LOOHWDSZJLJAAZ-DRZSPHRISA-N	00100010100000110001110000000000000000000000000000000000	22-01-140527
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@@H]2C[C@H]1C(=O)N)c1cccc(c1)F	SCHEMBL1572485,PC-id_67081574	345.391	LOOHWDSZJLJAAZ-WXHSDQCUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140528
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@@H]2C[C@H]1C(=O)N)c1ccc(cc1)F	SCHEMBL1572511,PC-id_67081585	345.391	YPYQTNUWVNGXRU-WXHSDQCUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140529
COc1cccc(c1)C(=O)NC1=CC2C(C=C1)(C2)C(=O)c1ccccc1	PC-id_143043195	345.391	VZAGGAHHMMEGML-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-140530
Fc1ccc(cc1)c1scc(n1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319242681	345.391	PTCNYHJJBQBVIA-DIFFPNOSSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140531
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cnc(s1)c1ccccc1F	EMOLS-id_320115451,MCULE-5059773769	345.391	IJGSZQGBYBQIPD-QGHHPUGFSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140532
NC(=O)[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)F)C	SCHEMBL3415419,PC-id_68633886	345.391	FOFWHCYQJOFDIX-QHSVJNGKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140533
NC(=O)[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1ccc(cc1)F)C	SCHEMBL3416838,PC-id_68634425	345.391	COZUYNWEAONTEL-QHSVJNGKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140534
NC(=O)[C@@H]1[C@H]2CC2CN1C(=O)c1nc(sc1c1cccc(c1)F)C	SCHEMBL3409379,PC-id_68631560	345.391	FOFWHCYQJOFDIX-NVAMKISNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140535
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccc(cc1)F)C	PC-id_67540000,SCHEMBL2799722	345.391	COZUYNWEAONTEL-JKOKRWQUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140536
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1ccccc1F)C	PC-id_68442950,SCHEMBL2924769	345.391	JJIIHLKUODNOQZ-UDZFHETQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140537
NC(=O)[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)F)C	PC-id_68631561,SCHEMBL3409382	345.391	FOFWHCYQJOFDIX-SUHUHFCYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140538
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccccc1F)C	PC-id_68634886,SCHEMBL3417963	345.391	JJIIHLKUODNOQZ-CHIMOYNISA-N	00100010100000110001110000000000000000000000000000000000	22-01-140539
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)F)C	SCHEMBL2926675,PC-id_57489307	345.391	FOFWHCYQJOFDIX-QKCSRTOESA-N	00100010100000110001110000000000000000000000000000000000	22-01-140540
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1ccc(cc1)F)C	SCHEMBL2927772,PC-id_68444132	345.391	COZUYNWEAONTEL-QKCSRTOESA-N	00100010100000110001110000000000000000000000000000000000	22-01-140541
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)F)C	SCHEMBL3411921,PC-id_68632494	345.391	FOFWHCYQJOFDIX-JKOKRWQUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140542
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1sc(nc1c1ccc(cc1)F)C	PC-id_68633909,SCHEMBL3415462	345.391	ZYLBCSBLSVTFQC-JKOKRWQUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140543
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1sc(nc1c1cccc(c1)F)C	SCHEMBL3413616,PC-id_68633238	345.391	MDCFIDNNJJGLPE-JKOKRWQUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140544
s1c(c(nc1C)C(=O)N1C2C(C2)CC1C(=O)N)c1ccc(F)cc1	PC-id_77223053	345.391	YPYQTNUWVNGXRU-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140545
s1c(c(nc1C)C(=O)N1C2C(C2)CC1C(=O)N)c1cc(F)ccc1	PC-id_77222981	345.391	LOOHWDSZJLJAAZ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140546
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1ccc(F)cc1	PC-id_76542607	345.391	COZUYNWEAONTEL-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140547
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1cc(F)ccc1	PC-id_76542608	345.391	FOFWHCYQJOFDIX-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140548
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1c(F)cccc1	PC-id_76542611	345.391	JJIIHLKUODNOQZ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140549
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1ccc(F)cc1	PC-id_57489138	345.391	COZUYNWEAONTEL-VHRBIJSZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140550
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1cc(F)ccc1	PC-id_57489139	345.391	FOFWHCYQJOFDIX-VHRBIJSZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140551
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1c(F)cccc1	PC-id_57489142	345.391	JJIIHLKUODNOQZ-NURSFMCSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140552
s1c(C(=O)N2C(C3C(C3)C2)C(=O)N)c(nc1C)c1ccc(F)cc1	PC-id_77530872	345.391	ZYLBCSBLSVTFQC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140553
s1c(C(=O)N2C(C3C(C3)C2)C(=O)N)c(nc1C)c1cc(F)ccc1	PC-id_77530739	345.391	MDCFIDNNJJGLPE-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140554
C12(CCCCC1C2C(=O)NN=C(C)c1ccc(c(c1)N(=O)=O)OC)C	MCULE-6523742935,PC-id_3648424	345.393	MSIQBURIIGTNAF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140555
Cc1noc(C2CC2)c1C(=O)N1CCN(C(=O)[C@@H]2[C@H]3COC[C@@H]23)CC1	EMOLS-id_317029456,MCULE-8207305974,ZINC22_1011589669	345.393	TVSSELDKDKAWMG-NHAGDIPZSA-N	00100010100010000001110000000000000000000000000000000000	22-01-140556
CC[C@@H](NC1=C(Nc2cccc(c2O)C(=O)N(C)C)C(=O)C2C1O2)C	PC-id_142857064	345.393	HKZXSLGWVWCMST-VGXVPSNOSA-N	00100011000000110000010000000000000000000000000000000000	22-01-140557
COc1ccc(cc1[N+](=O)[O-])/C(=N/NC(=O)C1C2CCCCC12C)/C	PC-id_9629491,TIMTEC317968,EMOLS-id_1577562	345.393	MSIQBURIIGTNAF-YBFXNURJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140558
COc1ccc(cc1[N+](=O)[O-])/C(=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6560511	345.393	MSIQBURIIGTNAF-DSCXRQQCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140559
COc1ccc(cc1[N+](=O)[O-])/C(=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2)/C	CoCoCo_6560513	345.393	MSIQBURIIGTNAF-NAUUFFFRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140560
COc1ccc(cc1[N+](=O)[O-])/C(=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2)/C	CoCoCo_6560514,PC-id_7270998	345.393	MSIQBURIIGTNAF-XRBXTVCRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140561
COc1ccc(cc1[N+](=O)[O-])/C(=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2)/C	CoCoCo_6560515	345.393	MSIQBURIIGTNAF-PNCSPWPDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140562
COc1ccc(cc1[N+](=O)[O-])/C(=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6560516	345.393	MSIQBURIIGTNAF-TYUJWAAUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140563
COc1ccc(cc1[N+](=O)[O-])/C(=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6560517	345.393	MSIQBURIIGTNAF-WLNVOTGBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140564
COc1ccc(cc1[N+](=O)[O-])/C(=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6560518,PC-id_98198114	345.393	MSIQBURIIGTNAF-XPYLLEAFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140565
COc1ccc(cc1[N+](=O)[O-])/C(=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2)/C	PC-id_7270999,CoCoCo_6560512	345.393	MSIQBURIIGTNAF-KMCXGYSOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140566
COc1ccc(cc1[N+](=O)[O-])/C(=NNC(=O)[C@@H]1[C@@H]2[C@]1(C)CCCC2)/C	PC-id_98068940	345.393	MSIQBURIIGTNAF-QQKHEBFDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140567
COc1ccc(cc1[N+](=O)[O-])/C(=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2)/C	PC-id_98068941	345.393	MSIQBURIIGTNAF-RQLULRJVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140568
COc1ccc(cc1[N+](=O)[O-])/C(=NNC(=O)[C@@H]1[C@H]2[C@@]1(C)CCCC2)/C	PC-id_98198116	345.393	MSIQBURIIGTNAF-QCCQCULMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140569
OC(=O)C1C2C1CCC2(NCc1ccc(N2CCCC2)nc1)C(=O)O	PC-id_23295080,SCHEMBL5692568	345.393	OYQFATRNKPRRSW-UHFFFAOYSA-N	00100010000010101000110000000000000000000000000000000000	22-01-140570
N#Cc1ccccc1c1ccc(cc1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_318917554	345.394	MHRXPOJKWGHCQP-UTKZUKDTSA-N	00100000000010110000110000000000000000000000000000000000	22-01-140571
N#Cc1cccc(c1)c1c(C)cccc1C(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)N)C2	SCHEMBL2923504,PC-id_68442431	345.394	PIUMQDUPLWVBCZ-SUMDDJOVSA-N	00100010000000110000110000000000000000000000000000000000	22-01-140572
O=C(N)C1N(CC2C1C2)C(=O)c1c(c(ccc1)C)c1cc(ccc1)C#N	PC-id_77500714	345.394	PIUMQDUPLWVBCZ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-140573
CC(=O)N1C[C@@H]2C[C@]2(C(=O)N[C@@H]2CCOC[C@@H]2Nc2ccncn2)C1	ZINC22_1875392268	345.396	WSCSLPNGGOBWOY-LOUJCGABSA-N	00100010000010100001010000000000000000000000000000000000	22-01-140574
CC(=O)N1C[C@@H]2C[C@@]2(C(=O)N[C@@H]2CCOC[C@@H]2Nc2ccncn2)C1	ZINC22_1875392269	345.396	WSCSLPNGGOBWOY-QDEZUTFSSA-N	00100010000010100001010000000000000000000000000000000000	22-01-140575
CC(=O)N1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCOC[C@@H]2Nc2ccncn2)C1	ZINC22_1875392270	345.396	WSCSLPNGGOBWOY-VWPFQQQWSA-N	00100010000010100001010000000000000000000000000000000000	22-01-140576
CC(=O)N1C[C@H]2C[C@]2(C(=O)N[C@@H]2CCOC[C@@H]2Nc2ccncn2)C1	ZINC22_1875392271	345.396	WSCSLPNGGOBWOY-WVZRYYJFSA-N	00100010000010100001010000000000000000000000000000000000	22-01-140577
O=C1C[C@@H](C(=O)N2C[C@H]3[C@H](NC(=O)CCc4cn[nH]c4)[C@H]3C2)CCN1	ZINC22_1526194143	345.396	UYCYMFZVHBJCQY-BCUIYNNISA-N	00100010100010000001010000000000000000000000000000000000	22-01-140578
O=C1C[C@H](C(=O)N2C[C@H]3[C@H](NC(=O)CCc4cn[nH]c4)[C@H]3C2)CCN1	ZINC22_1526194144	345.396	UYCYMFZVHBJCQY-FOCJUVANSA-N	00100010100010000001010000000000000000000000000000000000	22-01-140579
n1ccc(cc1)Nc1cc(NC2C3C2COC3)nc(n1)c1ccccc1	PC-id_117816312,SCHEMBL16391897	345.398	IJZDMIHHSFTYEE-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-140580
CC(c1ccc(cc1)OC(F)F)NS(=O)(=O)C1C2C1CCCC2	MCULE-3034553198,EMOLS-id_320192476	345.405	YDCXCNGEWPUWNC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140581
Fc1ccc(c(c1)F)C(CNS(=O)(=O)C1C2C1CCCC2)(O)C	EMOLS-id_319658512	345.405	FJNAVIBFYGCCML-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140582
FC(Oc1ccccc1C(NS(=O)(=O)C1C2C1CCCC2)C)F	EMOLS-id_320213995,MCULE-9945441254	345.405	ZROBXCJVYZBSSH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140583
FC1(C2C1CC(OC(CCC)C)C2(N)C(=O)OCC)C(=O)OCC	PC-id_72786191	345.406	MGGGBYGXGSNPAF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-140584
F[C@]1([C@@H]2[C@H]1C[C@@H](OC(CCC)C)[C@@]2(N)C(=O)OCC)C(=O)OCC	PC-id_11290917	345.406	MGGGBYGXGSNPAF-CKHIAJLPSA-N	00100010000010000000010000000000000000000000000000000000	22-01-140585
COC1CC2(CCN(CC2)C(=O)[C@@H]2[C@H]3COC[C@@H]23)c2cc(F)ccc12	EMOLS-id_313814020	345.408	BGBGEUPEWOPHKV-FVSMLEIBSA-N	00100010000010100000010000000000000000000000000000000000	22-01-140586
CO[C@@H]1CC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@@H]34)CC2)c2cc(F)ccc12	ZINC22_1565544034	345.408	BGBGEUPEWOPHKV-ATLSCFEFSA-N	00100010000010100000010000000000000000000000000000000000	22-01-140587
CO[C@H]1CC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@@H]34)CC2)c2cc(F)ccc12	ZINC22_1565544035	345.408	BGBGEUPEWOPHKV-CIRFHOKZSA-N	00100010000010100000010000000000000000000000000000000000	22-01-140588
FC(C(=O)OC1CC2C(C2(C)C)CC1(O)C)(c1ccc(cc1)C)C#N	PC-id_74024100	345.408	MGOFNSKJRFGNCU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140589
FC(C(=O)O[C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(O)C)(c1ccc(cc1)C)C#N	PC-id_23237763	345.408	MGOFNSKJRFGNCU-SECFFGBRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140590
NC1C(NCNC1OC1CCC2C(C1)O2)OC1CCC(C(C1)O)F	PC-id_141929479	345.41	VELFIJNUNRQHSH-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-140591
Fc1ccc(cc1)C(=O)N1CCCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102212446	345.411	LYNUZJZMSRSCQT-UHFFFAOYSA-N	00100010000010110101010000000000000000000000000000000000	22-01-140592
Fc1cccc(c1)NC(=O)C1CCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102212620	345.411	RLFJIKRQVPILCX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140593
O=C(C1CCCN(C1)C(=O)Nc1ccccc1F)NC1CC2C(C1)C2	EMOLS-id_102233968	345.411	BMFBWUHNANYJAE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140594
O=C(N1CC2C(C1)C2(C)C)NC1CCCN(C1=O)c1ccccc1F	EMOLS-id_110482768	345.411	RHBLSHIBMPLHOI-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-140595
O=C(N1CCN(CC1)C(=O)c1ccc(c(c1)F)C)NC1CC2C(C1)C2	EMOLS-id_102213613	345.411	TVRWYLGTQOYHHX-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-140596
O=C(N1CCN(CC1)C(=O)NC1CC2C(C1)C2)Cc1ccccc1F	EMOLS-id_102213589	345.411	CJWNSPVOPZQADX-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-140597
O=C(NC1CC2C(C1)C2)NC1CCN(CC1)C(=O)c1ccccc1F	EMOLS-id_102184332	345.411	BUZAITPJRYFURN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140598
O=C(N[C@@]12CCC[C@@H]1C2)c1ccc(CS(=O)(=O)c2ccccc2)o1	ZINC22_887043020,EMOLS-id_316944065,MCULE-1293214084,PC-id_136587112	345.413	VAIXJJTYALGQLY-FZKQIMNGSA-N	00100010101010110000010000000000000000000000000000000000	22-01-140599
Cc1ncn(c2ccc(NC(=O)C3[C@H]4CS(=O)(=O)C[C@H]34)cc2)c1C	ZINC22_2325791513	345.416	HOWXAQGBIQQRSK-GJZGRUSLSA-N	00100010100010110001110000000000000000000000000000000000	22-01-140600
Cc1ncn(c2ccc(NC(=O)C3[C@@H]4CS(=O)(=O)C[C@@H]34)cc2)c1C	ZINC22_2325791514	345.416	HOWXAQGBIQQRSK-HUUCEWRRSA-N	00100010100010110001110000000000000000000000000000000000	22-01-140601
Cc1ncn(c2ccc(NC(=O)[C@H]3[C@@H]4CS(=O)(=O)C[C@H]34)cc2)c1C	ZINC22_2325791515	345.416	HOWXAQGBIQQRSK-ZSHCYNCHSA-N	00100010100010110001110000000000000000000000000000000000	22-01-140602
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1cnc(nc1)c1ccccc1	EMOLS-id_319718495	345.416	KCCOHOKWQHDFSD-RHSMWYFYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-140603
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1csc(n1)c1ccc(o1)C	EMOLS-id_319290008	345.416	OZIZMRZNKVEHOT-DIFFPNOSSA-N	00100000101010000001110000000000000000000000000000000000	22-01-140604
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1nc(oc1C)c1cccs1	EMOLS-id_319583047	345.416	LDIJIIUWUDJXGA-DIFFPNOSSA-N	00100000100110000001110000000000000000000000000000000000	22-01-140605
Cn1ncc(c1)c1nc(c(s1)C(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N)C	EMOLS-id_319435079	345.419	UCLSUEUHYWUEIS-BZNIZROVSA-N	00100000100010000001110000000000000000000000000000000000	22-01-140606
CC(=O)NCCOCCOCCOCCOC1CCC2C(C1)(C)O2	PC-id_58963718,SCHEMBL13423709	345.431	KGJWGRBMPRWOLE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-140607
CS(=O)c1ccc(cc1F)c1ccc(cc1)OCC1C2C1CNC2	PC-id_144354462	345.431	VBOFPGZBNMKHGW-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-140608
OC[C@]12C[C@H]1CCCN2C(=O)c1cc(c(s1)c1ccc(cc1)F)C	EMOLS-id_319046580	345.431	NJIFMXOZHFQBKY-AUUYWEPGSA-N	00100000100110110000110000000000000000000000000000000000	22-01-140609
OC[C@]12C[C@H]1CCCN2C(=O)c1sc(c(c1)c1ccc(cc1)F)C	EMOLS-id_318933363	345.431	QVEQQVNTLDRZNT-AUUYWEPGSA-N	00100000100110110000110000000000000000000000000000000000	22-01-140610
CC[C@@H](C(=O)Nc1ccc(cc1)OC(=O)C1CCC2C(C1)O2)C(C)C	SCHEMBL18643474	345.433	QGZLMYFNUUZBOD-MFWMIFASSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140611
CCOc1ccc(cc1)CC(C(=O)O)CNC(=O)C1C2C1CCCC2	PC-id_119232262	345.433	WZTUDYULHGICGL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140612
CCOC(=O)C=C(C#CC1(C(=CC(=NOC)C2C1(C2)C)C)O)C(C)C	PC-id_89974647	345.433	AYEPDSCSTWHHIY-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-140613
CCOC(=O)/C=C(/C(C)C)C#CC1(O)C(=CC(=NOC)C2C1(C)C2)C	SCHEMBL15480687	345.433	AYEPDSCSTWHHIY-JXTMRIRHSA-N	00100000000011000000010000000000000000000000000000000000	22-01-140614
CN(Cc1ccc(OCC(=O)O)cc1)C(=O)C1[C@@H]2CCCCCC[C@@H]12	ZINC22_659143684	345.433	SYEHZNSVWSDBBS-IAGOWNOFSA-N	00100000000000110100010000000000000000000000000000000000	22-01-140615
CN(Cc1ccc(OCC(=O)O)cc1)C(=O)C1[C@H]2CCCCCC[C@H]12	ZINC22_659143686	345.433	SYEHZNSVWSDBBS-IRXDYDNUSA-N	00100000000000110100010000000000000000000000000000000000	22-01-140616
CN(Cc1ccc(OCC(=O)O)cc1)C(=O)[C@@H]1[C@H]2CCCCCC[C@@H]12	ZINC22_659143682	345.433	SYEHZNSVWSDBBS-DZFIZOCASA-N	00100000000000110100010000000000000000000000000000000000	22-01-140617
CN(C(=O)C1C2C1CCCCCC2)Cc1ccc(cc1)OCC(=O)O	MCULE-7862431382,EMOLS-id_316880607	345.433	SYEHZNSVWSDBBS-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-140618
COC(=O)C[C@@H]1[C@H]2C[C@H]2N([C@H]1Cc1ccccc1)C(=O)OC(C)(C)C	PC-id_102533093	345.433	YWHHVYWUTGZTAB-WCXIOVBPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140619
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O1C2C1(C(=O)NC2(O)C)C(=O)C(=CCCC=CC(=CC(=CC)C)C)C	PC-id_72515792	345.433	PVVROFXQZAUBAV-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-140621
O(CC12C(C1)CN(C2C)C(=O)OCc1ccccc1)C1OCCCC1	PC-id_67789322,SCHEMBL9180249	345.433	BQOCYWDMFZZTTE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140622
OC[C@]12C[C@H]1CCCN2C(=O)c1ccc(c(c1)OC1CCCC1)OC	EMOLS-id_318983444	345.433	PUZHCANGYVDVFL-FOIQADDNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140623
O(CC1C2C1CN(C2C)C(=O)OCc1ccccc1)C1OCCCC1	SCHEMBL9180241,PC-id_20089973	345.433	LXJKVSORUFXHGT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140624
O(C(=O)C1N(CC2C1C2(C)C)C(=O)OC(C)(C)C)Cc1ccccc1	PC-id_85258368	345.433	PEEWSIRXZNOKBM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140625
O(C(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)OC(C)(C)C)Cc1ccccc1	PC-id_10759952	345.433	PEEWSIRXZNOKBM-JYJNAYRXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140626
C1C[C@@H](CC2=C(C1)C2)OC(=O)CN=C(c1ccccc1)c1ccccc1	PC-id_135274854,SCHEMBL20438879	345.434	MFNRSIZXCNLJIW-NRFANRHFSA-N	00110000000000110110010000000000000000000000000000000000	22-01-140627
NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1C)F)C)C2	PC-id_67081765,SCHEMBL1572849	345.434	HIAKRPYKLDUSSR-XUJVJEKNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140628
NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1ccc(c(c1)F)C)C)C2	SCHEMBL1572050,PC-id_67081321	345.434	JDJBGJJGBAQZEB-IPYPFGDCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140629
NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1C)F)C	PC-id_68634909,SCHEMBL3418017	345.434	NEBIXBDGPICZSA-CORIIIEPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140630
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(cc1)S(=O)(=O)C	EMOLS-id_319128483	345.434	MPWADBALEOZFBO-BXUZGUMPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140631
OOCCN/C(=C(C1=CC=CC2C1C2)/c1ccccc1)/c1ccccc1	PC-id_144492375	345.434	DDKZSSKJWAQKDJ-FCQUAONHSA-N	00100000000011110000010000000000000000000000000000000000	22-01-140632
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CN)c1cc(F)c(cc1)C	PC-id_77222945	345.434	JDJBGJJGBAQZEB-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140633
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CN)c1c(c(F)ccc1)C	PC-id_77223110	345.434	HIAKRPYKLDUSSR-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140634
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CN)c1c(c(F)ccc1)C	PC-id_77531044	345.434	NEBIXBDGPICZSA-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-140635
CC(C)(C)OC(=O)N1CC2C(C1)C2NC(=C)c1cc(c(cc1)N)OC	PC-id_89275565,SCHEMBL14215967	345.436	GQCZTDBLZZDXQZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140636
CC(=O)Nc1ccccc1CNC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_113934589	345.436	DRFMNHJSZBKKLR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140637
Cn1cc(C[C@H]2[C@H](CCN2C(=O)[C@@H]2[C@H]3COC[C@@H]23)OCC2CC2)cn1	EMOLS-id_313733554,ZINC22_1565552060	345.436	ODXMYDXEFPENRU-FLXSYLCISA-N	00100010100000000001010000000000000000000000000000000000	22-01-140638
Cn1cc(C[C@H]2[C@@H](CCN2C(=O)[C@@H]2[C@H]3COC[C@@H]23)OCC2CC2)cn1	ZINC22_2055729667,EMOLS-id_313740209	345.436	ODXMYDXEFPENRU-IGKNDFSCSA-N	00100010100000000001010000000000000000000000000000000000	22-01-140639
N#CC1C[C@H]2C(N1C(=O)C(C1(C=C)CCC1)NC(=O)OC(C)(C)C)C2	PC-id_142085481	345.436	MPUOLMPEDWOCRL-AUXXQLBISA-N	00101010000000000000010000000000000000000000000000000000	22-01-140640
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cc(n(c1C)C1CCOCC1)C	EMOLS-id_318905888	345.436	NLVAJMZQBLARRL-KUHUBIRLSA-N	00100000110010000000110000000000000000000000000000000000	22-01-140641
OC[C@@]12CN(C[C@@]1(C2)CO)C(=O)[C@@H]1CC[C@@H](CC1)Nc1ccccn1	EMOLS-id_318860521	345.436	YJQHLIZCNHGKRH-FDCRZUCXSA-N	00100010000010101000010000000000000000000000000000000000	22-01-140642
O=C(N1C2C(C2)CC1C#N)C(NC(=O)OC(C)(C)C)C1(CCC1)C=C	PC-id_21339085	345.436	MPUOLMPEDWOCRL-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-140643
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)c1cc(n(c1C)C1CCCOC1)C	MCULE-2042053238,EMOLS-id_320005232	345.436	ZYZZYEUGMXRVIC-PBIBAUFZSA-N	00100000110010000000110000000000000000000000000000000000	22-01-140644
O=C(N1[C@@H]2[C@@H](C2)C[C@H]1C#N)[C@@H](NC(=O)OC(C)(C)C)C1(CCC1)C=C	PC-id_11198763	345.436	MPUOLMPEDWOCRL-CBBWQLFWSA-N	00101010000000000000010000000000000000000000000000000000	22-01-140645
[C@H]12CN(C[C@H]1[C@@H]2CN(C)C)C(=O)c1cccc(c2cccc(c2)C#N)c1	EMOLS-id_177444556,MCULE-4901650583,ZINC22_426535481	345.438	MGYUKHBODFGBDY-MZADTFQBSA-N	00100010000000110000110000000000000000000000000000000000	22-01-140646
N#Cc1cccc(c1)c1cccc(c1)C(=O)N1C[C@@H]2[C@H](C1)C2CN(C)C	PC-id_121505260	345.438	MGYUKHBODFGBDY-SEJPIABJSA-N	00100010000000110000110000000000000000000000000000000000	22-01-140647
N#Cc1ccc(cc1)CCC(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319344379	345.438	KJZXHMHNBZUHIC-XVAYZXCPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140648
OC[C@@H]1[C@@H]2[C@H]1CN(C2)S(=O)(=O)c1sc(nc1C)NC(=O)CC	EMOLS-id_319090458	345.438	ZDFVMNBUIWPJFF-MYJAWHEDSA-N	00100010100000000001010000000000000000000000000000000000	22-01-140649
C12CCCCC1C2C(=O)NCc1cc(O)nc(N2CCN(CC2)C)n1	EMOLS-id_30441525,PC-id_136252509,SYN-20445448,MCULE-3304938620	345.439	KJVNTFGWZMDDQP-UHFFFAOYSA-N	00100000000010100001110000000000000000000000000000000000	22-01-140650
C[C@@H]1CCCN(C(=O)C2[C@@H]3CCC[C@@H]23)[C@H]1CNC(=O)c1cn(C)nn1	ZINC22_1875345716	345.439	HAQQTCCHFFWXIQ-BHPKHCPMSA-N	00100010100010000001010000000000000000000000000000000000	22-01-140651
C[C@@H]1CCCN(C(=O)C2[C@@H]3CCC[C@@H]23)[C@@H]1CNC(=O)c1cn(C)nn1	ZINC22_1875345719	345.439	HAQQTCCHFFWXIQ-RGCMKSIDSA-N	00100010100010000001010000000000000000000000000000000000	22-01-140652
C[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3CCC[C@@H]23)[C@H]1CNC(=O)c1cn(C)nn1	ZINC22_1875345717	345.439	HAQQTCCHFFWXIQ-KLUNEYRZSA-N	00100010100010000001010000000000000000000000000000000000	22-01-140653
C[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3CCC[C@@H]23)[C@@H]1CNC(=O)c1cn(C)nn1	ZINC22_1875345718	345.439	HAQQTCCHFFWXIQ-QUEVPRLRSA-N	00100010100010000001010000000000000000000000000000000000	22-01-140654
CCOc1ccnc(n1)N1CCCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102211168	345.439	WFXICSMOZSUREL-UHFFFAOYSA-N	00100010000010100101110000000000000000000000000000000000	22-01-140655
CN1CCN(c2nc(O)cc(CNC(=O)C3[C@H]4CCCC[C@@H]34)n2)CC1	PC-id_136108266,ZINC22_19590109	345.439	KJVNTFGWZMDDQP-MZBDJJRSSA-N	00100000000010100001110000000000000000000000000000000000	22-01-140656
CN1CCN(c2nc(O)cc(CNC(=O)C3[C@H]4CCCC[C@H]34)n2)CC1	PC-id_136815754,ZINC22_100775156	345.439	KJVNTFGWZMDDQP-KBPBESRZSA-N	00100000000010100001110000000000000000000000000000000000	22-01-140657
CN1CCN(c2nc(O)cc(CNC(=O)C3[C@@H]4CCCC[C@@H]34)n2)CC1	PC-id_136815755,ZINC22_100775162	345.439	KJVNTFGWZMDDQP-ZIAGYGMSSA-N	00100000000010100001110000000000000000000000000000000000	22-01-140658
CN1CCN(c2nc(O)cc(CNC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)n2)CC1	CoCoCo_457013,CoCoCo_457012,CoCoCo_457017,ZINC22_248121786,CoCoCo_457015	345.439	KJVNTFGWZMDDQP-FOLVSLTJSA-N	00100000000010100001110000000000000000000000000000000000	22-01-140659
CN1CCN(CC1)c1nc(CNC(=O)[C@@H]2[C@H]3[C@@H]2CCCC3)cc(n1)O	CoCoCo_457011,CoCoCo_457014,CoCoCo_457010,CoCoCo_457016	345.439	KJVNTFGWZMDDQP-MIFYACCESA-N	00100000000010100001110000000000000000000000000000000000	22-01-140660
CN(Cc1cc(=O)[nH]c(n1)N)C1CCN(C1)C(=O)C1C2C1CCCC2	PC-id_137223498	345.439	WAMHWCLJIYCJQR-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-140661
O=C(N1CCC(CC1)CNC(=O)c1cnn(c1)C)NC1CC2C(C1)C2	EMOLS-id_102212569	345.439	FFKVVQGQLXAHGM-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-140662
O=C1CCCCCCC2NC2(CCOC(=O)CCC1)S(=O)(=O)C	PC-id_141013619	345.454	PCVJHSXOSUYVTE-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-140663
O=C1NC2OC2C(S1)Cc1ccc(cc1)OCC1(C)CCCC=C1	PC-id_142150435	345.456	IWHOFVNEHOBTSI-UHFFFAOYSA-N	00100000000011110001010000000000000000000000000000000000	22-01-140664
Cc1ccc(cc1)c1nc([nH]c1)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318802349	345.459	ZXBMUCSFIAIVNM-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140665
Cc1cc(ccc1CNS(=O)(=O)C1C2C1CCCC2)n1cccn1	EMOLS-id_319188365	345.459	AIDCLNZJGQECJK-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140666
CC(c1cccc(c1)n1cccn1)NS(=O)(=O)C1C2C1CCCC2	EMOLS-id_319078294	345.459	UTXOHGXKOWTOJW-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140667
Cn1cc(c(n1)c1ccccc1)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_320050338,MCULE-1338134107	345.459	MDFLGHDIQDTPRQ-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140668
Cn1ccnc1C(c1ccccc1)NS(=O)(=O)C1C2C1CCCC2	EMOLS-id_320085727,MCULE-8517364923	345.459	URVDHVZCUIPGQG-UHFFFAOYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-140669
Cn1ncc(c1)c1ccccc1CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_319792834	345.459	VCZYFYLSBIRCSY-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140670
CN(Cc1ncc(c2ccccc2)[nH]1)S(=O)(=O)C1[C@H]2CCCC[C@H]12	ZINC22_1775993599	345.459	HKXANDAWKLJKFO-GJZGRUSLSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140671
CN(Cc1ncc(c2ccccc2)[nH]1)S(=O)(=O)C1[C@@H]2CCCC[C@@H]12	ZINC22_1775993600	345.459	HKXANDAWKLJKFO-HUUCEWRRSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140672
CN(Cc1ncc(c2ccccc2)[nH]1)S(=O)(=O)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_1775993602	345.459	HKXANDAWKLJKFO-HWWDLCQESA-N	00100000100010110001110000000000000000000000000000000000	22-01-140673
CN(S(=O)(=O)C1C2C1CCCC2)Cc1[nH]cc(n1)c1ccccc1	EMOLS-id_317031716,MCULE-6473868844	345.459	HKXANDAWKLJKFO-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140674
CSc1ccccc1NC(=O)N1CCC2CC12C(=O)N1CCCC1	EMOLS-id_324107829	345.459	PVPLCNCHDLSEFF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140675
CSc1ccccc1NC(=O)N1CCC2CC12C(=O)NC1CCC1	EMOLS-id_324108085	345.459	YXMHVSHNSBWWMH-UHFFFAOYSA-N	00101010000000110000010000000000000000000000000000000000	22-01-140676
CSc1ccccc1NC(=O)N1CC[C@@H]2C[C@]12C(=O)N1CCCC1	ZINC22_2056225386	345.459	PVPLCNCHDLSEFF-ACJLOTCBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140677
CSc1ccccc1NC(=O)N1CC[C@@H]2C[C@@]12C(=O)N1CCCC1	ZINC22_2056225387	345.459	PVPLCNCHDLSEFF-FZKQIMNGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140678
CSc1ccccc1NC(=O)N1CC[C@H]2C[C@@]12C(=O)N1CCCC1	ZINC22_2056225388	345.459	PVPLCNCHDLSEFF-SCLBCKFNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140679
CSc1ccccc1NC(=O)N1CC[C@H]2C[C@]12C(=O)N1CCCC1	ZINC22_2056225389	345.459	PVPLCNCHDLSEFF-UGSOOPFHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140680
CSc1ccccc1NC(=O)N1CC[C@H]2C[C@@]12C(=O)NC1CCC1	ZINC22_2056225456	345.459	YXMHVSHNSBWWMH-KPZWWZAWSA-N	00101010000000110000010000000000000000000000000000000000	22-01-140681
CSc1ccccc1NC(=O)N1CC[C@@H]2C[C@@]12C(=O)NC1CCC1	ZINC22_2056225457	345.459	YXMHVSHNSBWWMH-KZULUSFZSA-N	00101010000000110000010000000000000000000000000000000000	22-01-140682
CSc1ccccc1NC(=O)N1CC[C@H]2C[C@]12C(=O)NC1CCC1	ZINC22_2056225458	345.459	YXMHVSHNSBWWMH-SGTLLEGYSA-N	00101010000000110000010000000000000000000000000000000000	22-01-140683
CSc1ccccc1NC(=O)N1CC[C@@H]2C[C@]12C(=O)NC1CCC1	ZINC22_2056225459	345.459	YXMHVSHNSBWWMH-XIKOKIGWSA-N	00101010000000110000010000000000000000000000000000000000	22-01-140684
N#Cc1ccc(C2CCN(S(=O)(=O)C3[C@H]4CCCC[C@H]34)CC2)nc1	ZINC22_1875290494	345.459	MDWUKCVQWVVMRV-HOTGVXAUSA-N	00100000000010101000110000000000000000000000000000000000	22-01-140685
N#Cc1ccc(C2CCN(S(=O)(=O)C3[C@@H]4CCCC[C@@H]34)CC2)nc1	ZINC22_1875290495	345.459	MDWUKCVQWVVMRV-HZPDHXFCSA-N	00100000000010101000110000000000000000000000000000000000	22-01-140686
N#Cc1ccc(C2CCN(S(=O)(=O)[C@@H]3[C@H]4CCCC[C@@H]34)CC2)nc1	ZINC22_1875290496	345.459	MDWUKCVQWVVMRV-VQFNDLOPSA-N	00100000000010101000110000000000000000000000000000000000	22-01-140687
N#Cc1ccc(nc1)C1CCN(CC1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_318930257	345.459	MDWUKCVQWVVMRV-UHFFFAOYSA-N	00100000000010101000110000000000000000000000000000000000	22-01-140688
N#CC1(CCN(CC1)S(=O)(=O)C1C2C1CCCC2)c1ccccn1	EMOLS-id_319303233	345.459	LUKIETOWEDCGCP-UHFFFAOYSA-N	00100000000010101000110000000000000000000000000000000000	22-01-140689
OC[C@]12C[C@H]1CCCN2C(=O)Cc1csc(n1)n1c(C)ccc1C	EMOLS-id_320113744,MCULE-9992488355	345.459	RHFRKUHGCDLZDS-RDTXWAMCSA-N	00100000110010000001110000000000000000000000000000000000	22-01-140690
O=C(Nc1cccc(c1)C(=O)N1CCSCC1)NC1CC2C(C1)C2	EMOLS-id_102200278	345.459	FKUXELXKZBNUNB-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-140691
O=S(=O)(C1C2C1CCCC2)NCCc1[nH]cc(n1)c1ccccc1	EMOLS-id_318856432	345.459	GPDVZVJURBMYCA-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140692
O=S(=O)(C1C2C1CCCC2)NCCn1cncc1c1ccccc1	EMOLS-id_319020082	345.459	HVQKTMHTZVQRQO-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-140693
C[C@@]12O[C@]1(CCC2OCc1ccc(cc1)[N+](=O)[O-])C#C[Si](C)(C)C	PC-id_101098718	345.465	UODHSCLXIIPBOV-UQJFVLDMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140694
[Si](CCOC1OC(C2(O)C(O)(C2(C)C)C1N=[N+]=[N-])CO)(C)(C)C	PC-id_23193043	345.467	LNQUSNFHPSHCEO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-140695
C=C(/C=CC(=C)CC1CCCCC1)OCCN1CC2C(C1)C2C(=O)O	PC-id_141842490	345.476	BIFMHGHHDRRGNO-HJWRWDBZSA-N	00100010000010000000010000000000000000000000000000000000	22-01-140696
OCC12CCN(CC2(C1COC1CCCCO1)C)Cc1ccccc1	PC-id_20089956,SCHEMBL9184358	345.476	WTBWVQPJPPHEPS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140697
CC=C(C)C(=CC1=C(CC2C(C2N=C1)C)C)C1=C=C(CC#CC=C1)OC	PC-id_91431629	345.477	ONRYQYYVJVJOFG-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-140698
Cc1cc(C)c(c(n1)C)C(NC1C2C1CN(C2)C(=O)OC(C)(C)C)C	PC-id_113934618	345.479	UOSPDFPSGCVVJC-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-140699
Cc1cc(C)c(OCCNC(=O)N2C[C@H]3[C@H](CN(C)C)[C@H]3C2)c(C)c1	MCULE-6850295984,EMOLS-id_177444891,ZINC22_534647990	345.479	WTHSYVBTFCYHDU-NNZMDNLPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140700
CC[C@H]1C[C@H](C)CC2([C@@H](C(NC1C)C(=O)N1[C@H](C#N)C[C@H]3[C@@H]1C3)C2)O	SCHEMBL14209107,PC-id_71098869	345.479	GCZYZJPMYUKPNN-YLKGVMPZSA-N	00100010000000000100010000000000000000000000000000000000	22-01-140701
C=CCNC(=O)C(=O)C(NC(=C)C1N(C=C)C[C@H]2C1C2(C)C)CCC	PC-id_143354385	345.479	LOLWHIZTGVANGG-HERJZLIOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-140702
CN(CC1[C@@H]2[C@H]1CN(C2)C(=O)NCCOc1c(C)cc(cc1C)C)C	PC-id_122565488	345.479	WTHSYVBTFCYHDU-AYHJJNSGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-140703
OC12C(C1)C(NC(C(CC(C2)C)CC)C)C(=O)N1C2C(C2)CC1C#N	PC-id_78008120	345.479	GCZYZJPMYUKPNN-UHFFFAOYSA-N	00100010000000000100010000000000000000000000000000000000	22-01-140704
O=C(N(Cc1cccnc1)CCCNC1CCC2C1C2)OC(C)(C)C	PC-id_112740178	345.479	JWADWSOJYWZFON-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-140705
O=C(N(Cc1cccnc1)CCCNC1CC[C@@H]2[C@H]1C2)OC(C)(C)C	PC-id_112740179	345.479	JWADWSOJYWZFON-MYFVLZFPSA-N	00100010000010101000010000000000000000000000000000000000	22-01-140706
S(=O)(=O)(N1C[C@@]2([C@@](C2)(C1)C(=C)c1sccc1)C)c1ccccc1	PC-id_11142503	345.479	HUKQMHFPKQWZGL-MSOLQXFVSA-N	00100010100100110000010000000000000000000000000000000000	22-01-140707
S(=O)(=O)(N1CC2(C(C2)(C1)C(=C)c1sccc1)C)c1ccccc1	PC-id_85413713	345.479	HUKQMHFPKQWZGL-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-140708
CC1C2C1(C=CC=C2)C(c1ncnc(n1)C(c1ccccc1)(C)C)(C)C	PC-id_142362855	345.481	NCKGCKPWUMWPKX-UHFFFAOYSA-N	00100000000011110001010000000000000000000000000000000000	22-01-140709
Cc1ccc(cc1)S(=O)(=O)N1CC2C(C2(C)C)C(=C(C)C)CC=C1	PC-id_135067370	345.499	ZGJNQYIEDXUAOE-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-140710
Cc1ccc(cc1)S(=O)(=O)N=C[C@]12CCC[C@H]1[C@@H]2/C=C/C(C)(C)C	PC-id_101886176	345.499	RQGLBMDCEXKXAX-RYLYXINHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140711
C=CCN(S(=O)(=O)c1ccc(cc1)C)C/C=C(/C12CCCC1C2)C	PC-id_139250220	345.499	PQPKZIFDFGTRCW-GZTJUZNOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140712
CCOC(=O)C1=CC2C(N2S(=O)(=O)CC[Si](C)(C)C)C(C1)C	PC-id_90367065	345.53	CQCPYPPJIMTHAW-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-140713
CCOC(=O)C1=C[C@H]2[C@@H]([C@H](C1)C)N2S(=O)(=O)CC[Si](C)(C)C	SCHEMBL15983800	345.53	CQCPYPPJIMTHAW-CLJRNHLWSA-N	00100000000011000000010000000000000000000000000000000000	22-01-140714
O=C(C(Cl)(Cl)Cl)OCCOC(=O)C1(C)CCC2C(C1)O2	PC-id_102598705	345.604	BGWCLIXEZYDIRW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-140715
CCCCNCC(C[C@@H]([C@@H]1[C@@H](C)[C@@H](C)C=C([C@@H]2C(=C1C)C2)C)C)(C)C	SCHEMBL19509341	345.605	UDTZAWACDAFUCF-OGEMAMLTSA-N	00100000000000000110010000000000000000000000000000000000	22-01-140716
OC[C@]12C[C@H]1CCCN2C(=O)c1ncc(c(c1)Cl)Br	MCULE-4780713420,EMOLS-id_320063225	345.619	WJTQYEBZPTZLNB-AMIZOPFISA-N	00100000000010101000010000000000000000000000000000000000	22-01-140717
Brc1c(C(Cl)C2C3C2CCC3)cc(OC)c(OC)c1	PC-id_81636956	345.659	XHVVNOGCNYJBAA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140718
Brc1c(C(Cl)C2CC3C(C3)C2)cc(OC)c(OC)c1	PC-id_80470598	345.659	BRODRRWHVRAVAJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140719
Brc1c(OC)c(C(O)C2C3C2CCCC3)cc(Cl)c1	PC-id_81643281	345.659	XUOHSSJDIUSZHL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-140720
BrC(C1C2C1CCC2)c1cc(OC)c(OC)cc1Cl	PC-id_81636977	345.659	PHEVHTFDSJFHOE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140721
BrC(C1CC2C(C2)C1)c1cc(OC)c(OC)cc1Cl	PC-id_80469424	345.659	YFPMMSQFXPWCPW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-140722
Br/C(=C
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CC/C(=C
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CC/C(=C
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CN(C)c1nc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c(Cl)n1c1ccccc1	MCULE-3845389406,EMOLS-id_316133898,ZINC22_367841218	346.854	SYCWMWWZNQLWTO-FICVDOATSA-N	00100010100000110001110000000000000000000000000000000000	22-01-141236
CC(C)(c1nc(cs1)c1ccc(cc1)Cl)C(=O)N1CC2CC2C1	PC-id_90154710,SCHEMBL15714642	346.874	ZDBVNZFKSPKDFS-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-141237
BrC12C(C1(Br)Br)CCCCC2	PC-id_22146558,SCHEMBL5880895	346.885	WTSNHJZLYZBAPJ-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-141238
Clc1ccc(cc1)CN1CC2C(C1)C2COC1CC1N1CCCC1	PC-id_11566418,SCHEMBL5796887	346.894	GVNGIQKOUTYMLA-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-141239
Clc1ccc(CN2CC3C(C3CNC(=O)C3CCCCC3)C2)cc1	SCHEMBL5507912,PC-id_69468906	346.894	GGCQXTQOFJUUNR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-141240
C[C@@]12C[C@H](N[C@@H]1C2)C(=O)N(C3=NC(=CC(=C3)F)Br)Cl	PC-id_153519901	346.984	JXANLSTYNRSJGS-SXMVTHIZSA-N	00100010000000101000010000000000000000000000000000000000	22-01-141241
C1COC2(CC2N1)C(Cc1c(ccc(c1)Cl)Cl)c1ccccc1	PC-id_163992378	347.084	UBTHRVMSWSQEHN-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-141242
C1[C@H]2[C@@H]1[C@H](C[C@H]2NC3=NC(=NC=C3F)Cl)NC(=O)C4=CC=CC=N4	PC-id_153694527	347.095	IEJHJVAEDXTIBA-ZFWZSOMGSA-N	00100010000010101001010000000000000000000000000000000000	22-01-141243
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)CC[C@H]3CC3(Cl)Cl	PC-id_160749605	347.105	KMDJZQLFNCUNBM-KXNHARMFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-141244
CC(C)(C)OC(=O)NC(CC[SH2+])C(=O)ON1C2C(O2)CCC1=O	PC-id_147362925	347.127	DHPPYISRGFEMAX-UHFFFAOYSA-O	00100000000010000000010000000000000000000000000000000000	22-01-141245
CN1C2CC2[C@](C1=O)(C#CC3=CC(=CC=C3)C4=NC(=CC=C4)C(=O)N)O	PC-id_161178226	347.127	USCFVRKXWFTYPK-GAGFWEIESA-N	00100010000000111000110000000000000000000000000000000000	22-01-141246
CC[C@H](C1[C@H]2[C@@H]1CC(C2)C(C=O)C=O)NC(=O)C3=CC=C(C=C3)Cl	PC-id_147683286	347.129	GPNQKAOHHAICGN-WQSAVRBUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-141247
CC[C@H](C1[C@H]2[C@H]1CC(C2)C(C=O)C=O)NC(=O)C3=CC=C(C=C3)Cl	PC-id_153517082	347.129	GPNQKAOHHAICGN-GXHJSMMNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-141248
CC(C)COC(C)OC(=O)[C@@]1([C@H](C[C@H]2[C@@]1([C@H]2C(=O)O)N)F)C(=O)O	PC-id_153934746	347.138	DHLCCQRHVGMFSN-WYZYKCCRSA-N	00100010000010000000010000000000000000000000000000000000	22-01-141249
CN1C=CN=C1CNC2=NC(=CC=C2)S(=O)(=O)N3CCCC4C3C4	EMOLS-id_317362196,MCULE-6998984484,PC-id_154772383	347.142	OFLICTSPNINOIH-UHFFFAOYSA-N	00100000100010101001010000000000000000000000000000000000	22-01-141250
CC(C)(C)OC(=O)N1[C@@H](C[C@@]2([C@H]1C2)CO)C(=O)OCC3=CC=CC=C3	PC-id_153306894	347.173	XZKOKLAYZVHNJD-KHYOSLBOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141251
C1[C@@H]2[C@@H](C2CCNC(=O)/C=C/C3=CN=CC=C3)CN1CC4=CC=CC=C4	PC-id_153559873	347.2	OBHGTYZIIOPCBI-JYNQOMIFSA-N	00100010000000111000010000000000000000000000000000000000	22-01-141252
BrC1=CC(OC)(OC)C2OC2C1=CC(C(C)C(=O)O)C	PC-id_72797455	347.202	ASAXKWAZFKOCTC-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-141253
BrC1=CC(OC)(OC)C2OC2C1(OC(=O)CC)C=CC	PC-id_85424880	347.202	CAOKMXNVZGWMQV-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-141254
BrC1=CC(OC)(OC)[C@H]2O[C@H]2C1=C[C@@H]([C@H](C)C(=O)O)C	PC-id_11314007	347.202	ASAXKWAZFKOCTC-OSTYVCCYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-141255
BrC1=CC(OC)(OC)[C@H]2O[C@H]2[C@]1(OC(=O)CC)/C=C/C	PC-id_11175430	347.202	CAOKMXNVZGWMQV-DHOWGVBFSA-N	00100000000011000000010000000000000000000000000000000000	22-01-141256
CC1C(C2(C(C1OC(=O)C)C2Br)C(=O)C)COC(=O)C	PC-id_91227587	347.202	RUFXJZDLVWJOOH-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-141257
COC1(OC)C=C(Br)/C(=C[C@@H]([C@@H](C(=O)O)C)C)/[C@H]2[C@@H]1O2	PC-id_102332801	347.202	ASAXKWAZFKOCTC-VNNKRDHNSA-N	00100000000011000000010000000000000000000000000000000000	22-01-141258
BrC(C1C2C1CCCC2)Cc1ccc(cc1)C(F)(F)F	PC-id_81636575	347.213	FKUQHUFKMWHQJY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-141259
C1C(C([C@H](C(O1)CN)N)P[C@H]1C(C2C(C2(C(O1)CN)N)N)N)N	PC-id_163737143	347.22	LEPMOLRNFJCVAE-RLKWZHPSSA-N	00100000000010000000010000000000000000000000000000000000	22-01-141260
C1C(C([C@H](C(O1)CN)N)P[C@H]2C(C3C(C3(C(O2)CN)N)N)N)N	PC-id_163737143	347.22	LEPMOLRNFJCVAE-MWVNXNRQSA-N	00100000000010000000010000000000000000000000000000000000	22-01-141261
CC(=C)CN=C
CC2CC2/C1=C(C(=O)N3CCC(CC3)OCCO)/N	PC-id_153536581	347.221	QBALSZUZCYHXLL-RMKLTAODSA-N	00100010000010000000010000000000000000000000000000000000	22-01-141262
C1CC(C2C(C1)O2)CC3(CCC(CC3)C(=O)[O-])CC4CCCC5C4O5	PC-id_154333955	347.223	UQVNNKUMBOQBGG-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-141263
Brc1cc(S(=O)(=O)NC2C3C2CNC3)ccc1OC	PC-id_43597436	347.228	IDGXPTVTNLFOBE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141264
Brc1cc(S(=O)(=O)NC2C3C2CNC3)c(OC)cc1	PC-id_43597424	347.228	SBIBWWJPZARWKI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141265
COc1nsc(c1Br)C(=O)NC12CC1COC2(C)C	MCULE-3287241171,EMOLS-id_320231893	347.228	JUVNSUOCOSPSQP-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-141266
OC[C@]12C[C@H]1CCCN2C(=O)c1snc(c1Br)OC	EMOLS-id_318794063	347.228	VQNBWDXOIPAENV-JMCQJSRRSA-N	00100000100010000001010000000000000000000000000000000000	22-01-141267
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(cn1)Br	MCULE-2928262551,EMOLS-id_320078651	347.228	CDNVRRDHHJSZPP-BXKDBHETSA-N	00100000000010101000010000000000000000000000000000000000	22-01-141268
OC[C@]12C[C@H]1CCCN2S(=O)(=O)c1cncc(c1)Br	EMOLS-id_319228012	347.228	NCUKFDNTNFFZRH-BXKDBHETSA-N	00100000000010101000010000000000000000000000000000000000	22-01-141269
OC[C@@]12CN(C[C@@]1(C2)CO)C(=O)c1c(Br)snc1C	EMOLS-id_318389321	347.228	ZOGQDNNSCFWTLI-TXEJJXNPSA-N	00100010100000000001010000000000000000000000000000000000	22-01-141270
C1C2C(C2C(=NOc2ccccc2)c2cc(c(cc2)Cl)Cl)CN1	PC-id_86697406,SCHEMBL898952	347.238	FBJLQVPCGLUCID-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141271
Clc1ccc(cc1Cl)/C(=NOc1ccccc1)/C1C2C1CNC2	SCHEMBL18726867	347.238	FBJLQVPCGLUCID-RELWKKBWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141272
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1n(C)nc(C(F)(F)F)c1	EMOLS-id_317333193,PC-id_135116939,MCULE-4951259288,ZINC22_1704337268	347.247	YTDKAFPGXJROOB-TXEJJXNPSA-N	00100010100000000001010000000000000000000000000000000000	22-01-141273
Brc1cccc(/C=N/NC(=O)C2C3CCC=CCCC23)c1	EMOLS-id_25842370	347.25	NOHGYFMKKFOUNA-GLASPNKESA-N	00100000000000110110010000000000000000000000000000000000	22-01-141274
Brc1ccc(C=NNC(=O)C2C3C2CCC=CCC3)cc1	PC-id_5130373,MCULE-9449740312	347.25	YRDYROPTOFWUKW-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141275
Brc1ccc(/C=N/NC(=O)C2C3C2CCC=CCC3)cc1	PC-id_9608985	347.25	YRDYROPTOFWUKW-NNTDQBDZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141276
Brc1ccc(C=NNC(=O)C2[C@H]3[C@H]2CCC=CCC3)cc1	PC-id_11869925	347.25	YRDYROPTOFWUKW-HUUCEWRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141277
Brc1ccc(C=NNC(=O)C2[C@@H]3[C@@H]2CCC=CCC3)cc1	PC-id_39434696	347.25	YRDYROPTOFWUKW-GJZGRUSLSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141278
Brc1ccc(C=NNC(=O)C2[C@@H]3[C@H]2CCC=CCC3)cc1	PC-id_5392766	347.25	YRDYROPTOFWUKW-XYPWUTKMSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141279
Brc1cc(/C=N/NC(=O)C2C3C2CCC=CCC3)ccc1	SCHEMBL12443062,PC-id_5718210,EMOLS-id_25842370	347.25	NOHGYFMKKFOUNA-NNTDQBDZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141280
Brc1cc(C=NNC(=O)C2[C@H]3[C@H]2CCC=CCC3)ccc1	PC-id_11903974	347.25	NOHGYFMKKFOUNA-HUUCEWRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141281
Brc1cc(C=NNC(=O)C2[C@@H]3[C@@H]2CCC=CCC3)ccc1	PC-id_39449574	347.25	NOHGYFMKKFOUNA-GJZGRUSLSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141282
Brc1cc(C=NNC(=O)C2[C@@H]3[C@H]2CCC=CCC3)ccc1	PC-id_5390138	347.25	NOHGYFMKKFOUNA-XYPWUTKMSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141283
C12CCC=CCCC1C2C(=O)NN=Cc1cccc(Br)c1	MCULE-3421579489,PC-id_2832402	347.25	NOHGYFMKKFOUNA-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141284
O=C(C1[C@H]2[C@H]1CCC=CCC2)N/N=Cc1ccc(cc1)Br	PC-id_92210343	347.25	YRDYROPTOFWUKW-FTXPQDFNSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141285
O=C(C1[C@H]2[C@H]1CCC=CCC2)N/N=Cc1cccc(c1)Br	PC-id_92242902	347.25	NOHGYFMKKFOUNA-FTXPQDFNSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141286
O=C(C1[C@@H]2[C@@H]1CCC=CCC2)N/N=Cc1cccc(c1)Br	PC-id_92540513	347.25	NOHGYFMKKFOUNA-CLFBVQDRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141287
O=C(C1[C@@H]2[C@H]1CCC=CCC2)N/N=Cc1cccc(c1)Br	PC-id_98645038	347.25	NOHGYFMKKFOUNA-CSUDAMNFSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141288
O=C([C@@H]1[C@H]2[C@@H]1CCC=CCC2)N/N=Cc1cccc(c1)Br	CoCoCo_598563	347.25	NOHGYFMKKFOUNA-WWRDTXNCSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141289
O=C([C@@H]1[C@H]2[C@@H]1CCC=CCC2)N/N=C/c1cccc(c1)Br	CoCoCo_598564	347.25	NOHGYFMKKFOUNA-MUXJLHQJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141290
O=C([C@@H]1[C@@H]2[C@H]1CCC=CCC2)N/N=Cc1cccc(c1)Br	CoCoCo_598565	347.25	NOHGYFMKKFOUNA-VHKYYBAUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141291
O=C([C@@H]1[C@@H]2[C@H]1CCC=CCC2)N/N=C/c1cccc(c1)Br	CoCoCo_598566	347.25	NOHGYFMKKFOUNA-QYKJQPEUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-141292
OCC1C2C1C(C(C2)CSc1ccc(c(c1)Cl)Cl)C(=O)O	PC-id_144383362	347.257	JQQQULJXPLSMJF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-141293
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1ccc(c(F)c1)C(F)(F)F)C(=O)O	PC-id_135095461,ZINC22_1704310172,MCULE-9078771095,EMOLS-id_317362534	347.262	QCAXWZKNDAVYBV-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141294
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cccc(F)c1C(F)(F)F)C(=O)O	PC-id_135118587,MCULE-8399588314,EMOLS-id_317333701,ZINC22_1704337504	347.262	UHXHHQMSLZFGNM-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141295
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cc(F)ccc1C(F)(F)F)C(=O)O	ZINC22_1704305818,EMOLS-id_317347182,PC-id_135098819,MCULE-3427315853	347.262	RNLINFNKSHYDHX-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141296
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1c(F)ccc(c1)C(F)(F)F)C(=O)O	ZINC22_1704331769,PC-id_135110497,EMOLS-id_317369018,MCULE-2507188338	347.262	UTAAFNRFSFSKNF-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141297
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1c(F)c(F)c(c(F)c1F)C)C(=O)O	PC-id_135088869,ZINC22_1704303849,EMOLS-id_317380705,MCULE-4652639489	347.262	CCCADRYCASHNHT-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141298
C1C2C(C2C(=O)O)CN1C(=O)c1ccccc1OC(C(F)F)(F)F	PC-id_91839672	347.262	DLTNKYNINSKTRW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141299
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C(=O)c1ccccc1OC(F)(F)C(F)F	EMOLS-id_55680727,MCULE-1533176392,ZINC22_252482659	347.262	DLTNKYNINSKTRW-JZYVYDRUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141300
NC(=O)OC1C(=CC(=O)C2C1O2)NC(=O)c1ccccc1OC(=O)N	PC-id_144111099	347.28	PAIVERCEMBQTKY-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-141301
C1C2(C1(C=CC=C2)C(F)(F)F)CC(c1ccccc1C(F)(F)F)N	PC-id_88952185	347.298	DQQQYRGSRSPJES-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-141302
N[C@@H](c1ccccc1C(F)(F)F)CC12C=CC=CC2(C1)C(F)(F)F	SCHEMBL12706027	347.298	DQQQYRGSRSPJES-WLYUNCDWSA-N	00100000000011110000010000000000000000000000000000000000	22-01-141303
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(o1)C#CC(C)(C)O	PC-id_135097230,ZINC22_1704308381,EMOLS-id_317325941,MCULE-7241489987	347.319	PMYNNNCKKCDBQS-CALCHBBNSA-N	00100010101000000000010000000000000000000000000000000000	22-01-141304
CC(C)OC(=O)OC1C2C(O2)C(=O)C=C1NC(=O)c1ccccc1O	PC-id_87222869,SCHEMBL1285881	347.319	YLPZVVSUBVXOPG-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-141305
CC(C)OC(=O)Oc1ccccc1C(=O)N(C1=CC(=O)C2C(C1)O2)O	PC-id_87222932,SCHEMBL1286298	347.319	GVLBZMUVBYWPKU-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-141306
CC(OC(=O)Oc1ccccc1C(=O)NC1=CC(=O)C2C(C1O)O2)C	SCHEMBL1286294,PC-id_49847631	347.319	WDPAKPOZSAURRJ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-141307
[C@@]12(CN(C[C@]1(C2)C(=O)O)CC(=O)Nc1ccc(cc1)C(=O)N)C(=O)O	EMOLS-id_317382571,ZINC22_1704324815,PC-id_135108260,MCULE-2679797777	347.323	FFGLEGMKZCWCED-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-141308
CC(C)(C)OC(=O)N1CC2(CS(=O)(=O)F)CC2(C1)C(F)(F)F	MCULE-3179297950,EMOLS-id_277254444	347.326	STAVHQIHCDHBPI-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-141309
OC[C@]12C[C@H]1CCCN2C(=O)CC(C(F)(F)F)(c1ccc(o1)C)O	EMOLS-id_319911605,MCULE-9137173294	347.33	UOEFYJZUTUAMLX-MIHQHQCYSA-N	00100000101010000000010000000000000000000000000000000000	22-01-141310
C(C(=O)O)(F)(F)F.N1([C@@H]2[C@@H](C2)CC1C#N)C(=O)C(C1(CCC1)C)N	CHEMBL312855	347.333	HFMLBSDMBARCCA-UEHGYFAISA-N	00101010000000000000010000000000000000000000000000000000	22-01-141312
C(C(=O)O)(F)(F)F.N1([C@@H]2[C@@H](C2)CC1C#N)C(=O)C(C1CCCC1)N	CHEMBL86677	347.333	GINKKWPVUQKOKS-DYQVDWDDSA-N	00100010000000000000010000000000000000000000000000000000	22-01-141313
CC(COC(OC(=O)N[C@@]1(C(=O)O)[C@@H](F)C[C@@H]2[C@H]1[C@H]2C(=O)O)C)C	SCHEMBL16610589,PC-id_117987567	347.336	CYXUAOIORSZIGN-CFYJLLIDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-141314
O=C(c1cncc(n1)S(=O)(=O)C)NC[C@]12OCCC[C@H]1C2(F)F	EMOLS-id_319469484	347.338	OXGCEBVFYQEJOY-SKDRFNHKSA-N	00100000000010100001010000000000000000000000000000000000	22-01-141315
O=C(NS(=O)(=O)Cc1noc(C2CC2)n1)[C@@H]1[C@H]2CC(F)(F)C[C@@H]12	ZINC22_2325821700	347.338	SQMSCMSGWKLZFB-MBTKJCJQSA-N	00100010100010000001110000000000000000000000000000000000	22-01-141316
P(=O)(OC(C)C)(OC(C)C)C1=NO[C@@]2(C([C@]12C(=O)OC)(C)C)C	PC-id_10936937	347.344	FNRGBQYQCJDSKY-HUUCEWRRSA-N	00100011000000000001010000000000000000000000000000000000	22-01-141317
P(=O)(OC(C)C)(OC(C)C)C1=NOC2(C(C12C(=O)OC)(C)C)C	PC-id_85322422	347.344	FNRGBQYQCJDSKY-UHFFFAOYSA-N	00100011000000000001010000000000000000000000000000000000	22-01-141318
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1cccc(c1)C(F)(F)F	EMOLS-id_112095299	347.353	FKJPFTWZHYSGPA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-141319
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C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=Cc1cc(c(c(c1)OC)O)[N+](=O)[O-]	PC-id_137174204	347.366	CRSIUBANARKHCP-QNXOEVJVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-141332
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=Cc1cc(c(c(c1)OC)O)[N+](=O)[O-]	PC-id_137174205	347.366	CRSIUBANARKHCP-MJSULIHDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-141333
C[C@@]12CCCC[C@@H]1[C@H]2C(=O)N/N=Cc1cc(c(c(c1)OC)O)[N+](=O)[O-]	PC-id_137174206	347.366	CRSIUBANARKHCP-AEZUDWSKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-141334
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COc1cc(/C=NNC(=O)C2[C@H]3[C@H]2CCCC3)c(cc1OC)[N+](=O)[O-]	PC-id_98043051	347.366	VSRHXKGJJGRCCS-UFBICWEFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-141340
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3[C@@H]2CCCC3)c(cc1OC)[N+](=O)[O-]	CoCoCo_80430,CoCoCo_80429	347.366	VSRHXKGJJGRCCS-JPTHQFHWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-141341
COc1cc(/C=NNC(=O)[C@@H]2[C@@H]3[C@H]2CCCC3)c(cc1OC)[N+](=O)[O-]	CoCoCo_80431	347.366	VSRHXKGJJGRCCS-UTZXHAMMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-141342
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3[C@H]2CCCC3)c(cc1OC)[N+](=O)[O-]	CoCoCo_80432	347.366	VSRHXKGJJGRCCS-NNMWSGBOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-141343
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Clc1cc(c2sc(nc2C(=O)N2[C@H]([C@@H]3[C@@H](C3)C2)CN)C)ccc1	PC-id_57489348	347.862	JCPVREJQIVCKPO-UBHSHLNASA-N	00100010100000110001110000000000000000000000000000000000	22-01-141567
Clc1cc(c2sc(nc2C(=O)N2[C@@H]([C@@H]3[C@@H](C3)C2)CN)C)ccc1	PC-id_66998493,SCHEMBL1339617	347.862	JCPVREJQIVCKPO-FPMFFAJLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-141568
Clc1cc(c2sc(nc2C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)CN)C)ccc1	SCHEMBL2924175,PC-id_59153385	347.862	JCPVREJQIVCKPO-MRVWCRGKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-141569
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Clc1cc(COC2C(N)(C3C(C3(F)C)C2)C(=O)O)ccc1Cl	PC-id_77447534	348.197	MLLRPGMBZBNYMC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-141600
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CC1CCCC2(C(C2=O)CCC(=O)C(=O)CCC(C(=O)CC1)(C)C)C	PC-id_153818599	348.23	KLZXMTRWKDWDFI-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-141610
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CC[Si](CC)(CC)OC1[C@@H]2[C@@H](O2)[C@@H](C=C1C#CC(=C)C)OC(=O)C	PC-id_135063513	348.509	PCDGNEVFXNCEON-NPKQBVGDSA-N	00100000000011000000010000000000000000000000000000000000	22-01-141942
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[Si](O[C@@H]1[C@H]2O[C@H]2[C@H](OC(=O)C)C=C1C#CC(=C)C)(CC)(CC)CC	PC-id_25210044	348.509	PCDGNEVFXNCEON-YDZRNGNQSA-N	00100000000011000000010000000000000000000000000000000000	22-01-141944
[Si](O[C@H]1[C@H]2O[C@H]2[C@H](OC(=O)C)C=C1C#CC(=C)C)(CC)(CC)CC	PC-id_25210045	348.509	PCDGNEVFXNCEON-AKHDSKFASA-N	00100000000011000000010000000000000000000000000000000000	22-01-141945
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CCCC1CCC(CC1)C1CCC(CC1)OC(=O)C1CCC2C(C1)O2	SCHEMBL12730877,PC-id_58220290	348.519	DDQVCWBOBQSRPO-UHFFFAOYSA-N	00100000000010000000110000000000000000000000000000000000	22-01-141951
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CCCCCCCCCCC/C=C/C/C=C/CC[C@H]1OC(=O)[C@H]2[C@@H]1O2	PC-id_102572167	348.519	OJUKFVVYUIXFPT-NNDZCOHISA-N	00100010000000000000010000000000000000000000000000000000	22-01-141957
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CCCCCCCCCCCCCCCC(=O)C1CCC2(C(C1)C2)C	PC-id_143264137	348.606	BAEPCHAPKFGFSP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142001
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BrC(Br)(Br)C12C(C1)COC2=O	SCHEMBL10802078,PC-id_70447204	348.815	QNDSSJKBCYDHLH-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142020
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CC1=C(SC(=N1)C)C2=NN=C(N2C)SCCCC34CC3CNC4	PC-id_154484970	349.139	CHJWWXFRPLZZMF-UHFFFAOYSA-N	00100010100000000001110000000000000000000000000000000000	22-01-142074
C[C@](CCC1CC[C@@H]2C[C@@]2(C1)Br)(CCC3=CC=CC=C3)N	PC-id_155053681	349.141	TYWUIEITMLPHSM-VDFACSDUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142075
Brc1ccc(c(c1)C(F)(F)F)C(=O)NC1C2C1CNC2	PC-id_107333097	349.146	RGTNTVLJDDNTBJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142076
Brc1ccc(c(c1)C(F)(F)F)C(=O)N[C@@H]1[C@@H]2[C@H]1CNC2	MCULE-3223800754,EMOLS-id_316896926	349.146	RGTNTVLJDDNTBJ-JZYVYDRUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142077
Brc1c(cc(C(=O)NC2C3C2CNC3)cc1)C(F)(F)F	PC-id_81684880	349.146	LHQLKOVZYBAUGW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142078
Brc1c(C(=O)NC2C3C2CNC3)cc(cc1)C(F)(F)F	PC-id_81618111	349.146	LHGPXFVIPDFJGY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142079
O=C(N[C@H]1[C@@H]2CNC[C@H]12)c1ccc(Br)c(C(F)(F)F)c1	ZINC22_250890145,EMOLS-id_316926377,MCULE-8234982350	349.146	LHQLKOVZYBAUGW-VROVMSAKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142080
C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C[C@@H]4[C@H](C3)C4CO	PC-id_154759171	349.156	KDDDUKWVKFRZHQ-SJPCQFCGSA-N	00100010000010110001110000000000000000000000000000000000	22-01-142081
CNC(=O)C1=CC(=CC(=N1)CC2=CC=CC=C2)C(=O)CC3[C@H]4[C@@H]3CNC4	PC-id_153238659	349.179	WQZRJZGSRSLPIK-AYHJJNSGSA-N	00100010000000111000010000000000000000000000000000000000	22-01-142082
CCOC(=O)C[C@@H](C1CCC2=C(C2[C@@H]1F)F)N[C@@H](C)c1ccccc1	PC-id_163845628	349.185	OPWVJXDNLYZPBC-FTIJYVBGSA-N	00110000000010110000010000000000000000000000000000000000	22-01-142083
Brc1cc(NC(=O)C2NC3C(C3)C2)cc(c1)c1n[nH]nn1	PC-id_77462587	349.186	QQGMWPAYPOFANN-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-142084
Brc1cc(NC(=O)[C@H]2N[C@H]3[C@@H](C2)C3)cc(c1)c1[nH]nnn1	PC-id_68283833,SCHEMBL12480288	349.186	QQGMWPAYPOFANN-PFZYVWIYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-142085
BrCC1(CC2C(C2)C1)Cc1ccc(OC(F)(F)F)cc1	PC-id_80473502	349.186	LLUQQUTXDKGBGS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142086
CC(C)(C)OC(=O)NC(C(=O)N1[C@@H](CC2C1C2)C#N)C1(CCC1)CO	PC-id_163813401	349.2	NPFZERARSGQOBH-UDXKHGJESA-N	00101010000000000000010000000000000000000000000000000000	22-01-142087
Brc1ccc(o1)S(=O)(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319486020	349.201	YLSFPKPGEMLWBD-HQJQHLMTSA-N	00100000101010000000010000000000000000000000000000000000	22-01-142088
CCCCC(=O)CCOCCNC(=O)OCC1C2C1CCC#CCC2	PC-id_160137215	349.225	KIBWSVBPMXCGER-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-142089
CC(C)C(C)OC(=O)NCC(=O)/C=C
/CC([C@@H]2C(C1)C2(C)C)C(=O)C	PC-id_147919135	349.225	IHRFQVINMRFQLU-VLXHHLAZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142090
CC(C)N(CC[C@@H]1CCC(=O)O1)C[C@@]12C[C@H]1C=C(C(=C2)OC)COC	PC-id_164144604	349.225	YZGKDNONSPQWGS-UWVAXJGDSA-N	00100010000011000000010000000000000000000000000000000000	22-01-142091
CCOC(CN1C=CC2CC2C1CCC(O)OCC1CC=CC=C1)O	PC-id_163979629	349.225	SXGFGLPVZXVSBQ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142092
Clc1ccc(c(c1)Cl)S(=O)(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319332818	349.233	IRFIAENKLJBUCE-OQPBUACISA-N	00100000000010110000010000000000000000000000000000000000	22-01-142093
Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_319549549	349.233	YEETZIFVDYLMRD-OQPBUACISA-N	00100000000010110000010000000000000000000000000000000000	22-01-142094
Clc1c(NC(=O)C2C3C2CCC3)c(Cl)cc(S(=O)(=O)N)c1	PC-id_81636453	349.233	PJEOQAUOUWOMJT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142095
Clc1c(NC(=O)C2CC3C(C3)C2)c(Cl)cc(S(=O)(=O)N)c1	PC-id_80468202	349.233	VSTUZULTLYVYND-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142096
CS(=O)(=O)c1cc(C(=O)N[C@H]2[C@@H]3CNC[C@H]23)c(Cl)cc1Cl	ZINC22_370738853,MCULE-2994524788,EMOLS-id_316892579	349.233	KTDAGMPDKGEMCD-JDICNCQASA-N	00100010000000110000010000000000000000000000000000000000	22-01-142097
NC(=O)[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc(c(c1)Cl)Cl	EMOLS-id_319555258	349.233	QSVIRBKWIXFAOC-OQPBUACISA-N	00100000000010110000010000000000000000000000000000000000	22-01-142098
NC(=O)[C@]12C[C@H]1CCCN2S(=O)(=O)c1cccc(c1Cl)Cl	EMOLS-id_320273431,MCULE-2225315568	349.233	GFEMCCFNFGXMHF-OQPBUACISA-N	00100000000010110000010000000000000000000000000000000000	22-01-142099
OC[C@]12C[C@H]1OC(C2OP(=O)(O)O)[C@H](n1ccc(nc1=O)N)O	SCHEMBL13576808,PC-id_70943528	349.234	DTKABULSPXEEOG-RRMCOAMISA-N	00100010000000100001010000000000000000000000000000000000	22-01-142100
P(=O)(OC1C2(C(OC1C(O)n1ccc(nc1=O)N)C2)CO)(O)O	PC-id_77959735	349.234	DTKABULSPXEEOG-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-142101
c1ccc(c(c1)C(=O)NC1=CC(=O)C2C(C1OC(=O)O)O2)OC(=O)O	PC-id_90877830	349.249	NAYZCQWYNYIGQR-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-142102
CC1CC2C(O2)CC1(OC(=O)C1(CC2C(O2)CC1(C)C)Cl)Cl	SCHEMBL11801583,PC-id_88835985	349.249	UNYHNTLBORBZAY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142103
CC1CC2OC2CC1(Cl)COC(=O)C1(Cl)CC2OC2CC1C	SCHEMBL11266895,PC-id_20533657	349.249	VXJXCNMHOZVZFO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142104
ICCCCCCNC(=O)C1C2C1CCCC2	PC-id_107848678	349.251	XMTCGRRYRZSOJU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142105
CC(C)(C)OC(=O)N1C2CC2CC1C(=O)NCC1CC1(Cl)Cl	PC-id_90019230	349.253	QXSVMKUPKPIBEK-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142106
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)OC(C)(C)C)C2)NCC1CC1(Cl)Cl	PC-id_118207122,SCHEMBL16874277	349.253	QXSVMKUPKPIBEK-UBJLHIIHSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142107
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)OC(C)(C)C)C2)NC[C@H]1CC1(Cl)Cl	SCHEMBL15540536	349.253	QXSVMKUPKPIBEK-DBIOUOCHSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142108
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)OC(C)(C)C)C2)NC[C@@H]1CC1(Cl)Cl	SCHEMBL15541680	349.253	QXSVMKUPKPIBEK-YTWAJWBKSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142109
O=C([C@@H]1C[C@H]2C(N1C(=O)OC(C)(C)C)C2)NC[C@H]1CC1(Cl)Cl	SCHEMBL15540535	349.253	QXSVMKUPKPIBEK-IXMYILBSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142110
CC1CCCC2(C(O2)(CCNC(=O)CCC(C(=O)CC1)(C)C)C=C)C	PC-id_154451430	349.262	NHLPHGRGTFDWGD-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-142111
Brc1cccc(c1)CN(C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)CC1CC1	EMOLS-id_319351229	349.265	IIBFPCVNKHLCNW-ZSHCYNCHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142112
Brc1ccc(cc1)/C(=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2)/C	CoCoCo_6560583	349.265	OXJOAEKUJZHJBA-OYXWMQGTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142113
Brc1ccc(cc1)/C(=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2)/C	CoCoCo_6560584	349.265	OXJOAEKUJZHJBA-ZJNPRJNYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142114
Brc1ccc(cc1)/C(=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2)/C	CoCoCo_6560586	349.265	OXJOAEKUJZHJBA-SJZRYWCPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142115
Brc1ccc(cc1)/C(=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6560587	349.265	OXJOAEKUJZHJBA-YWDKIPSFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142116
Brc1sc(Br)cc1C(=O)C1C2C1CCC2	PC-id_81624387	350.069	RPKCFMFFFBQBAU-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142428
Brc1ccc(cc1)/C(=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6560588	349.265	OXJOAEKUJZHJBA-DKTIAJDNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142117
Brc1ccc(cc1)/C(=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6560589	349.265	OXJOAEKUJZHJBA-ABACMRIRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142118
Brc1ccc(cc1)/C(=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2)/C	CoCoCo_6560590	349.265	OXJOAEKUJZHJBA-HPHSPLPKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142119
Brc1ccc(cc1)/C(=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2)/C	PC-id_6979189,CoCoCo_6560585	349.265	OXJOAEKUJZHJBA-MSSMSBRASA-N	00100000000010110000010000000000000000000000000000000000	22-01-142120
Brc1ccc(cc1)/C(=NNC(=O)[C@@H]1[C@@H]2[C@]1(C)CCCC2)/C	PC-id_98084879	349.265	OXJOAEKUJZHJBA-JTNXROEVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142121
Brc1ccc(cc1)/C(=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2)/C	PC-id_98084880	349.265	OXJOAEKUJZHJBA-MRXYOOKOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142122
Brc1ccc(cc1)/C(=NNC(=O)[C@@H]1[C@H]2[C@@]1(C)CCCC2)/C	PC-id_98825807	349.265	OXJOAEKUJZHJBA-VNGFLPGFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142123
Brc1ccc(/C=N/NC(=O)C2C3C2CCCCCC3)cc1	PC-id_56697625	349.265	UUBKMNCIPIMKSP-YBFXNURJSA-N	00100000000000110100010000000000000000000000000000000000	22-01-142124
Brc1ccc(C=NNC(=O)C2C3C2CCCCCC3)cc1	PC-id_76397327	349.265	UUBKMNCIPIMKSP-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-142125
Brc1ccc(C(=NNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)C)cc1	PC-id_5501106	349.265	OXJOAEKUJZHJBA-UXLLHSPISA-N	00100000000010110000010000000000000000000000000000000000	22-01-142126
Brc1ccc(C(=NNC(=O)[C@H]2[C@@]3([C@H]2CCCC3)C)C)cc1	PC-id_7275721	349.265	OXJOAEKUJZHJBA-ZOBUZTSGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142127
Brc1cc(/C=N/NC(=O)C2C3C2CCCCCC3)ccc1	PC-id_11962437	349.265	DFEYSTQEZIHPFU-YBFXNURJSA-N	00100000000000110100010000000000000000000000000000000000	22-01-142128
Brc1cc(C=NNC(=O)C2C3C2CCCCCC3)ccc1	PC-id_73154609	349.265	DFEYSTQEZIHPFU-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-142129
Brc1cc(C=NNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)ccc1C	PC-id_26477469	349.265	ADTZKLYJZUMWRA-LXZKKBNFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142130
Brc1cc(C=NNC(=O)[C@H]2[C@@]3([C@H]2CCCC3)C)ccc1C	PC-id_5501132	349.265	ADTZKLYJZUMWRA-QRTARXTBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142131
C12(CCCCC1C2C(=O)NN=Cc1ccc(c(Br)c1)C)C	MCULE-5842022285,PC-id_3850988	349.265	ADTZKLYJZUMWRA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142132
C12(CCCCC1C2C(=O)NN=C(C)c1ccc(cc1)Br)C	PC-id_3698941,MCULE-5838338746	349.265	OXJOAEKUJZHJBA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142133
Cc1ccc(/C=N/NC(=O)C2C3CCCCC23C)cc1Br	EMOLS-id_49383608,PC-id_9638920	349.265	ADTZKLYJZUMWRA-VXLYETTFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142134
C/C(=NNC(=O)C1C2CCCCC12C)/c1ccc(Br)cc1	TIMTEC369057,PC-id_5898201,EMOLS-id_46400079	349.265	OXJOAEKUJZHJBA-YBFXNURJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142135
O=C([C@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=C/c1ccc(c(c1)Br)C	CoCoCo_6561981	349.265	ADTZKLYJZUMWRA-LWDMTGPJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142136
O=C([C@H]1[C@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(c(c1)Br)C	CoCoCo_6561982	349.265	ADTZKLYJZUMWRA-OAFUZSPDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142137
Brc1sc(Br)cc1C(=O)C1CC2C(C2)C1	PC-id_80467009	350.069	FEXDCBXJSYCKHG-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142429
O=C([C@H]1[C@H]2[C@]1(C)CCCC2)N/N=C/c1ccc(c(c1)Br)C	CoCoCo_6561983	349.265	ADTZKLYJZUMWRA-WRIKSJFWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142138
O=C([C@@H]1[C@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(c(c1)Br)C	CoCoCo_6561984	349.265	ADTZKLYJZUMWRA-KYYXPPLOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142139
O=C([C@@H]1[C@H]2[C@]1(C)CCCC2)N/N=C/c1ccc(c(c1)Br)C	CoCoCo_6561985	349.265	ADTZKLYJZUMWRA-KBGIYDCGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142140
O=C([C@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=Cc1ccc(c(c1)Br)C	CoCoCo_6561986	349.265	ADTZKLYJZUMWRA-NCVBTYQMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142141
O=C([C@@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=Cc1ccc(c(c1)Br)C	CoCoCo_6561987	349.265	ADTZKLYJZUMWRA-RUTVLHQFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142142
O=C([C@@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=C/c1ccc(c(c1)Br)C	CoCoCo_6561988	349.265	ADTZKLYJZUMWRA-AYVCNSEFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142143
O=C([C@@H]1[C@@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(c(c1)Br)C	PC-id_98086223	349.265	ADTZKLYJZUMWRA-YCLHNIFWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142144
O=C([C@H]1[C@@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(c(c1)Br)C	PC-id_98086224	349.265	ADTZKLYJZUMWRA-KFLRHVQVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142145
O=C([C@@H]1[C@H]2[C@@]1(C)CCCC2)N/N=Cc1ccc(c(c1)Br)C	PC-id_98892316	349.265	ADTZKLYJZUMWRA-YYRMSSJVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142146
C1CCC2CC2C/C=CCC(C1)C(Cc1ccccccccc1)CN	PC-id_163811037	349.277	NNGPKVAHPNKBNG-UQWHXBESSA-N	00100000000000000110010000000000000000000000000000000000	22-01-142147
O[C@H]1[C@H]2O[C@H]2C(=O)C(=C1CO[Si](C(C)(C)C)(C)C)Br	PC-id_101368828	349.293	KARWMILKBFDOKT-JLLWLGSASA-N	00100000000011000000010000000000000000000000000000000000	22-01-142148
N#Cc1ccc(c(c1)C(=O)NC12C=NC=C(C1C2)Oc1cncnc1)F	PC-id_144158222	349.319	OVJLLDADLCBXJG-UHFFFAOYSA-N	00100000000011110001010000000000000000000000000000000000	22-01-142149
COC(=O)c1cc(c(c(c1F)F)F)S(=O)(=O)N1CCCC2C1C2	MCULE-5873552041,PC-id_136561862,EMOLS-id_316981643	349.325	YWAPLZVKHRNCHT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142150
COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3C[C@H]23)c(F)c(F)c1F	ZINC22_1616039192	349.325	YWAPLZVKHRNCHT-APPZFPTMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142151
COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3C[C@H]23)c(F)c(F)c1F	ZINC22_1616039193	349.325	YWAPLZVKHRNCHT-CBAPKCEASA-N	00100000000010110000010000000000000000000000000000000000	22-01-142152
COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3C[C@@H]23)c(F)c(F)c1F	ZINC22_1616039194	349.325	YWAPLZVKHRNCHT-IONNQARKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142153
COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3C[C@@H]23)c(F)c(F)c1F	ZINC22_1616039195	349.325	YWAPLZVKHRNCHT-VXNVDRBHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142154
OC(=O)c1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCC2C(C1)C2	PC-id_146107436,MCULE-4639795509,EMOLS-id_324027003	349.325	ZIFZTQAKFYPMBM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142155
O=C(O)c1ccc(S(=O)(=O)N2CC[C@@H]3C[C@H]3C2)cc1C(F)(F)F	ZINC22_663429114	349.325	ZIFZTQAKFYPMBM-BDAKNGLRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142156
O=C(O)c1ccc(S(=O)(=O)N2CC[C@H]3C[C@@H]3C2)cc1C(F)(F)F	ZINC22_663429115	349.325	ZIFZTQAKFYPMBM-DTWKUNHWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142157
O=C(O)c1ccc(S(=O)(=O)N2CC[C@H]3C[C@H]3C2)cc1C(F)(F)F	ZINC22_663429116	349.325	ZIFZTQAKFYPMBM-IUCAKERBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142158
O=C(O)c1ccc(S(=O)(=O)N2CC[C@@H]3C[C@@H]3C2)cc1C(F)(F)F	ZINC22_663429117	349.325	ZIFZTQAKFYPMBM-RKDXNWHRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142159
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Cc1cccc(CN2C[C@H]3C[C@@]3(NS(=O)(=O)c3cccs3)C2)n1	ZINC22_247871057	349.471	LHTUSJUULCRNKZ-CZUORRHYSA-N	00100010100100101000010000000000000000000000000000000000	22-01-142335
Cc1cccc(CN2C[C@@H]3C[C@@]3(NS(=O)(=O)c3cccs3)C2)n1	ZINC22_247871059	349.471	LHTUSJUULCRNKZ-XJKSGUPXSA-N	00100010100100101000010000000000000000000000000000000000	22-01-142336
CC1=C(NCC1)N/C=NCN(C)CC1[C@H]2[C@@H]1CN(C2)C(=O)OC(C)C	PC-id_135191221	349.471	NMUBJOVHOKTMIU-MQVJKMGUSA-N	00100011000000000000010000000000000000000000000000000000	22-01-142337
Cc1ncc(s1)S(=O)(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-9016040638,EMOLS-id_319908156	349.471	YAKQQNYLFMFCLK-FOLVSLTJSA-N	00100010100000110001010000000000000000000000000000000000	22-01-142338
CN(C[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)C)CN/C=NC1=C(C)CCN1	SCHEMBL20343723	349.471	NMUBJOVHOKTMIU-PHZGNYQRSA-N	00100011000000000000010000000000000000000000000000000000	22-01-142339
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Cc1ccc([C@H](NC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)[C@@H](C)S(=O)(=O)C)cc1	ZINC22_281140155	349.488	YKASWPFHUJLRFE-FWEDZOCSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142343
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CCCCC[C@]12C[C@@]1(C)CN(CC2=O)S(=O)(=O)c1ccc(cc1)C	PC-id_122233236	349.488	SNMPWMXFJBNDAL-RBUKOAKNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142345
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CC(S(=O)(=O)C)C(c1ccc(cc1)C)NC(=O)C1C2C1CCCC2	EMOLS-id_73051786,PC-id_121588201,MCULE-2536518909	349.488	YKASWPFHUJLRFE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142348
OCc1ccccc1C1CCN(CC1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_317032228,MCULE-2292266792	349.488	URJJTJXZKMNAIH-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-142349
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O=S(=O)(C1C2C1CCCC2)N1CCC(C1)COCc1ccccc1	MCULE-5303432088,EMOLS-id_320121953	349.488	YIVWSPYUZUXPQT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142351
O=S(=O)(C1[C@@H]2CCCC[C@@H]12)N1CCC(c2ccccc2CO)CC1	ZINC22_1775994115	349.488	URJJTJXZKMNAIH-QZTJIDSGSA-N	00100000000010110000110000000000000000000000000000000000	22-01-142352
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O=S(=O)([C@@H]1[C@H]2CCCC[C@@H]12)N1CCC(c2ccccc2CO)CC1	ZINC22_1775994114	349.488	URJJTJXZKMNAIH-BWTSREIZSA-N	00100000000010110000110000000000000000000000000000000000	22-01-142354
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S(=O)(=O)(N1[C@@]2([C@H]1[C@](O)(CC2)CCCC)CC=C)c1ccc(cc1)C	PC-id_25170347	349.488	HPLMSZLFEOSEIC-GURQWTFNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142356
CC1CC=C2C(C1Nc1ccc(cc1N)S(=O)(=O)NC(C)(C)C)C2	SCHEMBL19538813	349.491	DZEUBFAWLDTSDH-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-142357
Cc1ccc(c(n1)N1CCCC1)CNS(=O)(=O)C1C2C1CCCC2	EMOLS-id_318921179	349.491	YKCQXDZVQFZSAJ-UHFFFAOYSA-N	00100010000010101000110000000000000000000000000000000000	22-01-142358
CC1CCCCN1S(=O)(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319291911	349.491	DQCSFPHXAFNUKM-ZNTGEFMVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142359
CC1CCN(CC1)S(=O)(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-3825816252,EMOLS-id_319886863	349.491	QMERXBSMHBBKDK-PIIMJCKOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142360
CN1CCN(CC1)Cc1ccc(s1)C(=O)NC12CC1COC2(C)C	EMOLS-id_319717290	349.491	YJHBXDBYFLGASO-UHFFFAOYSA-N	00100010100110000001010000000000000000000000000000000000	22-01-142361
CN(S(=O)(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)C1CCCC1	EMOLS-id_319082678	349.491	IQAURLZMFJQWNZ-PIIMJCKOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142362
COC(c1scc(n1)CN1CCN(CC1)C(=O)C1C2C1CCC2)C	EMOLS-id_48252815,PC-id_75425055,MCULE-9636948807	349.491	YLVHNNAXXXGWNN-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-142363
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CO[C@@H](c1scc(n1)CN1CCN(CC1)C(=O)C1[C@@H]2[C@H]1CCC2)C	PC-id_97222452	349.491	YLVHNNAXXXGWNN-SLHHOWHOSA-N	00100010100010000001010000000000000000000000000000000000	22-01-142365
CO[C@H](C)c1nc(CN2CCN(C(=O)C3[C@H]4CCC[C@H]34)CC2)cs1	ZINC22_101513938,PC-id_98219203	349.491	YLVHNNAXXXGWNN-SNPRPXQTSA-N	00100010100010000001010000000000000000000000000000000000	22-01-142366
CO[C@H](C)c1nc(CN2CCN(C(=O)C3[C@@H]4CCC[C@@H]34)CC2)cs1	ZINC22_230163698,PC-id_100900978	349.491	YLVHNNAXXXGWNN-BPLDGKMQSA-N	00100010100010000001010000000000000000000000000000000000	22-01-142367
CO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H]3[C@H]4CCC[C@@H]34)CC2)cs1	ZINC22_252513334	349.491	YLVHNNAXXXGWNN-ARLBYUKCSA-N	00100010100010000001010000000000000000000000000000000000	22-01-142368
CO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H]3[C@H]4CCC[C@@H]34)CC2)cs1	ZINC22_252513335	349.491	YLVHNNAXXXGWNN-OJLVUWQFSA-N	00100010100010000001010000000000000000000000000000000000	22-01-142369
OC[C@]12C[C@H]1CCCN2C(=O)Cc1csc(n1)NC1(C)CCCC1	EMOLS-id_318804222	349.491	LRNVVGNRYREXHV-FZKQIMNGSA-N	00100010100010000001010000000000000000000000000000000000	22-01-142370
O=C(NC12CC1COC2(C)C)Cc1csc(n1)NC1(C)CCCC1	EMOLS-id_319030170	349.491	KJNCJHZRNIYETJ-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-142371
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CC1C(CC2C1(C2OC)C)Nc1nc(nc(c1C(=S)N)C)N(C)C	PC-id_91604037	349.494	OVHMQBDXLYMMRL-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-142376
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[Si](OC1OC(C2NC12)C(=O)OCc1ccccc1)(C(C)(C)C)(C)C	PC-id_85341881	349.497	CWAKGBXCBGWPHF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142378
[Si](O[C@@H]1O[C@@H]([C@@H]2N[C@H]12)C(=O)OCc1ccccc1)(C(C)(C)C)(C)C	PC-id_10948077	349.497	CWAKGBXCBGWPHF-AESZEHBQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142379
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CC(C)(CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCCCCC1)N1CCOCC1	EMOLS-id_43153981,ZINC22_102705908,MCULE-7833974712	349.511	AFYNQTHEHRGWCV-PIIMJCKOSA-N	00100010000010000101010000000000000000000000000000000000	22-01-142386
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SCc1ccc2c(c1)N2C(/C=CC(=C(c1ccccc1C)/CC)C)C	SCHEMBL18889196	349.532	OMSCQSXCCKBFQQ-ZVDZJOMHSA-N	00100000000000110000010000000000000000000000000000000000	22-01-142392
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O=C(C12CC1COC2(C)C)N1CCC(CC1)Nc1ccncc1Cl	EMOLS-id_318836191	349.855	HTNAKZULVMZZJW-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-142411
OC[C@@H]1[C@@H]2[C@H]1CN(C2)CC(=O)N1CCN(CC1)c1cccc(c1)Cl	MCULE-8430377736,EMOLS-id_317308633	349.855	KDDDUKWVKFRZHQ-FVQHAEBGSA-N	00100010000010110001110000000000000000000000000000000000	22-01-142412
O=C(N[C@@]12COC[C@@H]1C2)CCN1CCN(CC1)c1cccc(c1)Cl	MCULE-6633942633,EMOLS-id_320109347	349.855	QOIBOWWUVFISTC-KSSFIOAISA-N	00100010000010110001110000000000000000000000000000000000	22-01-142413
C1C2C1(COC2)C(=O)C3=CC(=C(S3)Br)Br	PC-id_164660077,MCULE-9564661295	349.861	JRPOUYORGWIDLG-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-142414
C1C2C1(COC2)C(=O)C3=C(C(=CS3)Br)Br	PC-id_164660080,MCULE-9434276889	349.861	RPZOUFAIWSDYMP-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-142415
C1C2C1(COC2)C(=O)C3=C(SC(=C3)Br)Br	MCULE-7907295299,PC-id_164660078	349.861	GOWYMICYJAUQAS-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-142416
Cc1cc(Cl)ccc1OCCN1CCN(C[C@H]2[C@@H]3CNC[C@H]23)CC1	EMOLS-id_49893921,MCULE-8830275073	349.898	LMOIZFUTQHOECK-PIIMJCKOSA-N	00100010000010110001010000000000000000000000000000000000	22-01-142417
Clc1cc(c(OCCN2CCN(CC3[C@@H]4[C@H]3CNC4)CC2)cc1)C	PC-id_77094390	349.898	LMOIZFUTQHOECK-JWTNVVGKSA-N	00100010000010110001010000000000000000000000000000000000	22-01-142418
C[C@H]1CC(C[I]2C1C2)I	PC-id_163691410	349.903	JTGKSRYAHFTNJD-VTSJMVTISA-N	00100000000010000000010000000000000000000000000000000000	22-01-142419
INC1C2[C@H]1CN(C2)I	SCHEMBL18938447	349.939	PGTSZKGEIMKNDS-JYMNUSQCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142420
INC1C2[C@@H]1CN(C2)I	SCHEMBL18938450	349.939	PGTSZKGEIMKNDS-KLFYCJEISA-N	00100010000000000000010000000000000000000000000000000000	22-01-142421
O=C(N1CC2C(C1)C2)Cn1nc(c(n1)Br)Br	EMOLS-id_258142558,MCULE-6673549434	350.01	RLUNXQXJMWKEQH-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-142422
CC12CCCCC1C2C(=O)N/N=CC3=CC(=C(C=C3)O)Br	PC-id_154776652	350.063	HOUHLJHIHGUUCB-NVMNQCDNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142423
Brc1cc(sc1Br)C(=O)C1C2C1CCC2	PC-id_81624399,EMOLS-id_107378147	350.069	LUOJXAZWODPEQB-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142424
Brc1cc(sc1Br)C(=O)C1CC2C(C2)C1	PC-id_80532576	350.069	WHKHAXNWKBACFT-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142425
Brc1c(scc1Br)C(=O)C1C2C1CCC2	PC-id_81625178,EMOLS-id_107796245	350.069	BDCIWIDLATXPHE-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142426
Brc1c(scc1Br)C(=O)C1CC2C(C2)C1	PC-id_80467012	350.069	CVNBVKWVTKQZJK-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142427
O=C(c1cc(sc1Br)Br)[C@@H]1C[C@H]2[C@@H](C1)C2	MCULE-5725073081	350.069	FEXDCBXJSYCKHG-ZMONIFLSSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142433
O=C(c1sc(c(c1)Br)Br)[C@@H]1C[C@H]2[C@@H](C1)C2	MCULE-4802781023	350.069	WHKHAXNWKBACFT-ZMONIFLSSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142434
O=C(c1scc(c1Br)Br)[C@@H]1C[C@H]2[C@@H](C1)C2	MCULE-9749406268	350.069	CVNBVKWVTKQZJK-ZMONIFLSSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142435
Brc1c(OC)c(C(Cl)C2C3C2CCC3)cc(Cl)c1	PC-id_81644125	350.078	AGTSRQDZPCMFMH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142436
Brc1c(OC)c(C(Cl)C2CC3C(C3)C2)cc(Cl)c1	PC-id_80470775	350.078	WLHAJFBCROZSDT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142437
BrC(C1C2C1CCC2)c1c(Cl)cc(OC)c(Cl)c1	PC-id_81836126	350.078	DCNSQZVXILYVSR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142438
BrC(C1CC2C(C2)C1)c1c(Cl)cc(OC)c(Cl)c1	PC-id_81835960	350.078	QDDFHSITIJAUFO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142439
Brc1ccc(s1)C(C12CCCCC1C2)Br	MCULE-6034304511	350.113	XXKRAMZTTGDDMJ-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-142440
Brc1ccc(s1)C(C1CCC2C(C1)C2)Br	MCULE-7852623632	350.113	MFXVMAVFXOVWQQ-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-142441
Brc1ccc(s1)C(C1CCCC2C1C2)Br	MCULE-3902058885	350.113	FMXJNPQMRKMXFK-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-142442
Brc1ccsc1C(C12CCCCC1C2)Br	MCULE-1531940499	350.113	QWEDTQJWADUZBR-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-142443
Brc1sc(c(c1)C(C12CCCC1C2)Br)C	MCULE-1619224496	350.113	WESREEGSPQUCSW-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142444
BrC(C12CCCC1C2)c1cc(c(s1)Br)C	MCULE-8280093258	350.113	MMPGZIUHTZJUJA-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142445
BrC(C12CCCC1C2)c1cc(c(s1)C)Br	MCULE-3560650091	350.113	PLTVQIIWHIVRNX-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142446
BrC(C1C2C1CCC2)c1cc(c(s1)C)Br	PC-id_102835880,EMOLS-id_107727327	350.113	VCWPWJSZLOFMLG-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142447
BrC(C1C2C1CCC2)c1c(sc(Br)c1)C	PC-id_81637493	350.113	ZSUVXJSWXFQTQB-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142448
BrC(C1C2C1CCC2)c1sc(Br)c(c1)C	PC-id_81638583	350.113	GEJKLLYJPWSGGX-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142449
BrC(C1C2C1CCC2)c1sc(cc1Br)C	PC-id_81638327	350.113	CDZDSWNZRODGLQ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142450
BrC(C1C2C1CCCC2)c1sc(Br)cc1	PC-id_81637811	350.113	OASHGTLCKUPGIJ-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-142451
BrC(C1C2C1CCCC2)c1sccc1Br	PC-id_81636988	350.113	MORHLXHLLLTNAK-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-142452
BrC(C1CC2C(C2)C1)c1c(sc(Br)c1)C	PC-id_80469328	350.113	JGYRBIQZMVZFDZ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142453
BrC(C1CC2C(C2)C1)c1sc(Br)c(c1)C	PC-id_80469570	350.113	XRTOWWLFNRETLD-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142454
BrC(C1CC2C(C2)C1)c1sc(cc1Br)C	PC-id_80469673	350.113	NHKSPOOCESUINR-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142455
BrCC1(CC2C(C2)C1)Cc1sc(Br)cc1	PC-id_80473395	350.113	GIKGNWITVHKONA-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142456
C1CC2C(O2)C(C1)OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C=O	PC-id_163953252	350.115	MYNAGMCOTRDGCH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142463
C([C@@H]1C2C1(O[C@@](C2O)(CO)O[C@]12C(O1)C([C@@H](C(O2)CN)O)O)O)N	PC-id_163959520	350.133	SGGUMRJWEHMTMK-TWQIMBKWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142464
C1CC(CC(C1)OCC(F)(F)F)NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)O	PC-id_154437820	350.145	VGPNJDYFCFWACR-RBVSLIDWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142465
CC(C)(C)OC(=O)N1CC2C([C@H]1CONOC(=O)c1ccccc1)O2	PC-id_164030683	350.148	VHQPPNHNLRANSL-IYXRBSQSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142466
CC12CC(NC1C2)C(=O)NC3=C(C=CC(=N3)Cl)CN4CCOCC4	PC-id_153456631	350.151	DISJJYRBTZSJDM-UHFFFAOYSA-N	00100010000010101001010000000000000000000000000000000000	22-01-142467
C1[C@H]2[C@@H]1C(=NOCC3=CC=CC=C3)CN[C@@H]2C(=O)OCC4=CC=CC=C4	PC-id_154159335	350.163	YADNLCBYNMAUTM-HBFSDRIKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142468
CC(C)(C)OC(=O)N1CC2[C@@H]([C@]2(C1)F)NC(=O)OCc1ccccc1	PC-id_164057877	350.164	WEGHMXWADSQSAG-VVPPIPSKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142469
CC(C=O)C1[C@H]2[C@@H]1CC(C2)O[Si](C)(C3=CC=CC=C3)C4=CC=CC=C4	PC-id_153315571	350.17	IIQJRWBNUJDAPM-QLIUUBPJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142470
C1CC2C(O2)CC1COC(=O)CC=CC(=O)OCC3CCC4C(C3)O4	PC-id_154093117	350.173	ZYYPPVSGOCTZJU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142471
C=C(CC(=O)OCC1CCC2C(C1)O2)C(=O)OCC3CCC4C(C3)O4	PC-id_154089289	350.173	UEQOHBGJTLXOKT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142472
FC([C@@]1(O)N(Cc2ccccc2)C[C@@]2([C@@]1(Br)C2)C)(F)F	PC-id_101087021	350.174	MFBWBZQWCWBGNZ-FRRDWIJNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142473
CCC(C)(C(=O)OC1CCCCC1C(C)(C(F)(F)F)O)C23C(N2)N3	PC-id_148168933	350.182	KCDYJGOEJRXTDF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142474
CC1=CC2C(N2)C=C1N=C(CCCF)CC1C=CN=C1c1ccccn1	PC-id_163946152	350.191	RVGGLIFZIYTJON-UHFFFAOYSA-N	00100011000011101000110000000000000000000000000000000000	22-01-142475
CC(C)N=C(C=C(c1cc(c(nc1)N)OC(F)F)N)[C@]12CCC[C@@H]1C2	PC-id_164167360	350.192	RAQTXGGPZLFGNL-XIKOKIGWSA-N	00100010000010101000010000000000000000000000000000000000	22-01-142476
CC(C)N=C(C=C(C1=CC(=C(N=C1)N)OC(F)F)N)C2C3C2CCC3	PC-id_148367311	350.192	LUURXGRMJJOVRI-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-142477
CC(C)N=C(C=C(C1=CC(=C(N=C1)N)OC(F)F)N)C2[C@H]3[C@@H]2CCC3	PC-id_148367312	350.192	LUURXGRMJJOVRI-HBBFGDNQSA-N	00100010000010101000010000000000000000000000000000000000	22-01-142478
CC(C)N=C(/C=C(/C1=CC(=C(N=C1)N)OC(F)F)N)C2[C@H]3[C@@H]2CCC3	PC-id_154971371	350.192	LUURXGRMJJOVRI-YFDAECIMSA-N	00100010000010101000010000000000000000000000000000000000	22-01-142479
I/C=C/[C@@]12O[C@@]1(C[C@@H](OC(=O)C)CC2(C)C)C	PC-id_44245694	350.193	SWSUBUFEOIKIHX-IRIVYCKASA-N	00100000000010000000010000000000000000000000000000000000	22-01-142480
IC=CC12OC1(CC(OC(=O)C)CC2(C)C)C	PC-id_74964322	350.193	SWSUBUFEOIKIHX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142481
CCC1(CCCC1)OC(=O)C(C12NC2N1)(I)C	SCHEMBL18602872	350.196	NENFELVEPJOKCP-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142482
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=C(C=CC=N3)C)C4=CC=CC=C4C(=O)N	PC-id_153289022	350.199	DNKZNGZSUVGABM-HHJVWUAYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-142483
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=CC=CC(=N3)C)C4=CC=CC=C4C(=O)N	PC-id_153289126	350.199	IXCUZXXHDGWBNY-CWTWKIDOSA-N	00100010000010111000010000000000000000000000000000000000	22-01-142484
CC1=CC(=C(C(=C1)C(C)(C)C)OP2OCC3CC3CO2)C(C)(C)C	PC-id_152908398	350.201	UGSBYHZWNNTCMC-UHFFFAOYSA-N	00100000000000110101010000000000000000000000000000000000	22-01-142485
CC(C)(C)OC(=O)N1CCCOCC2C(C1)N2Cc1ccc(cc1)F	PC-id_163702055	350.201	KBWCSJITXQFRHT-UHFFFAOYSA-N	00100000000000110101010000000000000000000000000000000000	22-01-142486
CC1[C@H]2[C@@H]1CC(C2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C	PC-id_160638621	350.207	RSSOYBYZCYMMLQ-YFCHSCLWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142487
C1CCC(CC1)OC(=O)C2CC3C(O3)CC2C(=O)OC4CCCCC4	PC-id_154401511	350.209	LFOHADKBFBCACH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142488
CCC(CC)CC1(CC2C(=CC1(CC(CC)CC)C(=O)[O-])O2)C(=O)[O-]	PC-id_153708307	350.21	IARTXCYZNXXMGN-UHFFFAOYSA-L	00100000000011000000010000000000000000000000000000000000	22-01-142489
OC(=O)C1C2C1CCN(C2)S(=O)(=O)c1cc(Cl)cc(c1)Cl	EMOLS-id_319704272	350.218	GPMNNGSASQEIBO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142490
CC(C)[C@@H]
CC(C(=O)[C@H]2[C@H](O2)CC(=C)/C=C1)O[Si](C)(C)C(C)(C)C	PC-id_154720810	350.228	SGISTVPJDKYUDP-XLSGHONESA-N	00100000000000000110010000000000000000000000000000000000	22-01-142491
C/C=C(/CC1=C2[C@H]1C(=CC=C2)I)C(=C/CC=C)C	PC-id_134386170,SCHEMBL20015867	350.237	GDIRGKLUIGCUFZ-ASKMXUDXSA-N	00110000000011000000010000000000000000000000000000000000	22-01-142492
CC(C)CC(CC(C(C)C)O)OC(=O)OCC1[C@H]2[C@@H]1CCC#CCC2	PC-id_164841749	350.246	YTNCWDZONVLZOJ-HGVRWNOSSA-N	00100000000000000110010000000000000000000000000000000000	22-01-142493
Brc1ccc(N2CCN(C(=O)C3CC4C(C4)C3)CC2)nc1	PC-id_80470604	350.253	XGMQTTANQCLLRE-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-142494
C[C@@H](C1CCCCC1)NC(=O)[C@@H]2C[C@]3(C[C@H]3N2C(=O)OC(C)(C)C)C	PC-id_150827714	350.257	KLGXUYLSGRVLBB-NTNQKNOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142495
C[C@H](C1CCCCC1)NC(=O)[C@@H]2C[C@]3(C[C@H]3N2C(=O)OC(C)(C)C)C	PC-id_150827715	350.257	KLGXUYLSGRVLBB-WRXMGDCGSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142496
CC1(C)OB(C2CCN(C(=O)NCC3[C@@H]4COC[C@@H]34)CC2)OC1(C)C	ZINC22_1776007405	350.261	AHOHTOCUSZWFRI-GJZGRUSLSA-N	00100010000010000001110000000000000000000000000000000000	22-01-142497
CC1(C)OB(C2CCN(C(=O)NCC3[C@H]4COC[C@H]34)CC2)OC1(C)C	ZINC22_1776007406	350.261	AHOHTOCUSZWFRI-HUUCEWRRSA-N	00100010000010000001110000000000000000000000000000000000	22-01-142498
CC1(C)OB(C2CCN(C(=O)NC[C@H]3[C@@H]4COC[C@H]34)CC2)OC1(C)C	ZINC22_1776007407	350.261	AHOHTOCUSZWFRI-QKDCVEJESA-N	00100010000010000001110000000000000000000000000000000000	22-01-142499
O=C(N1CCC(CC1)B1OC(C(O1)(C)C)(C)C)NCC1C2C1COC2	MCULE-5084301931,PC-id_139021410	350.261	AHOHTOCUSZWFRI-UHFFFAOYSA-N	00100010000010000001110000000000000000000000000000000000	22-01-142500
CC(C)CC1=CC2(C(S2)(C(=C1CC(C)C)CC(C)C)CC(C)C)O	PC-id_161589795	350.264	BGRCXWQJKPVKSU-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142501
CC(C)CCCCCC12C(=C(C=CC1(S2)O)CC(C)C)CC(C)C	PC-id_154323852	350.264	AFFPXNFSGZCBEX-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142502
CCCCCCCCC1=CC2(C(S2)(C=C1)O)CCCCCCCC	PC-id_154258039	350.264	FPMBHYBZGRKSIM-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142503
CC(C)(C)CC(C)(C)C1=CC=CC2(C1(S2)C(C)(C)CC(C)(C)C)O	PC-id_154310089	350.264	FNMGZUMLFPFJIF-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142504
CC(C)CCCCCC1=CC=CC2(C1(S2)CCCCCC(C)C)O	PC-id_163809300	350.264	ZOIKURMAJJGHPK-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142505
CC(C)CCCCCCCCCCCCCC1=CC2C(S2)(C=C1)O	PC-id_161943793	350.264	UERFYVYGQMKLRP-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142506
[P+](=C)(C(CC12C(C1(C)C)C(C(C2C)(C)C)[B])(C)C)C[P+](=C)CC	PC-id_59796148	350.266	PDDZCBAFMIMNID-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142507
[P+](=C)(C(C[C@]12[C@H](C1(C)C)[C@H](C([C@@H]2C)(C)C)[B])(C)C)C[P+](=C)CC	PC-id_59835599	350.266	PDDZCBAFMIMNID-MFCZKXCZSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142508
Brc1c(CC2(CC3C(C3)C2)CNC2CC2)cc(OC)cc1	PC-id_80470378	350.293	VOKKERMQOQASPS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142509
Brc1cc(CC2(CC3C(C3)C2)CNC2CC2)ccc1OC	PC-id_80470773	350.293	CVGLYEKZVJIGPT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142510
Brc1cc(CC2(CC3C(C3)C2)CNC2CC2)c(OC)cc1	PC-id_80470593	350.293	OIDPDEWZUKAQQH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142511
Brc1ccc(OCCC2(CC3C(C3)C2)CNC2CC2)cc1	PC-id_80470770	350.293	YRNCFPFVUALEHC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142512
Brc1c(C(N(C(=O)C2CC3C(C3)C2)CCC)C)cccc1	PC-id_80469961	350.293	PGFZQFTWVLIXNU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142513
Brc1cc(OCCC2(CC3C(C3)C2)CNC2CC2)ccc1	PC-id_80470450	350.293	KVUSJYKZBGBZOD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142514
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COc1cccc(c1)c1ccc(cc1C(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)N)C2)C	PC-id_68445651,SCHEMBL2931529	350.411	MISIYZGZUGMTCI-BJZITVGISA-N	00100010000000110000110000000000000000000000000000000000	22-01-142618
COc1cccc(c1)c1cc(C)ccc1C(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)N)C2	PC-id_68445475,SCHEMBL2931138	350.411	MQCMYXLCNSYQQL-ZMYBRWDISA-N	00100010000000110000110000000000000000000000000000000000	22-01-142619
COc1cccc(c1)c1c(C)cccc1C(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)N)C2	SCHEMBL2933638,PC-id_68446653	350.411	BDTCQSSUSRVDQH-BJZITVGISA-N	00100010000000110000110000000000000000000000000000000000	22-01-142620
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CCc1noc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)n1	ZINC22_1875314182	350.413	LKPXZWCGGYIMKN-NWDGAFQWSA-N	00100000100010000001010000000000000000000000000000000000	22-01-142637
CCc1noc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]23)n1	ZINC22_1875314183	350.413	LKPXZWCGGYIMKN-RYUDHWBXSA-N	00100000100010000001010000000000000000000000000000000000	22-01-142638
CCc1noc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)n1	ZINC22_1875314184	350.413	LKPXZWCGGYIMKN-VXGBXAGGSA-N	00100000100010000001010000000000000000000000000000000000	22-01-142639
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CCc1ccc(cn1)C(=O)N1C[C@H]2[C@@H](CC(=O)Nc3cccnc3)[C@H]2C1	ZINC22_2055746451,EMOLS-id_313759990	350.414	HMGDRNBHFNRYRV-BCDXTJNWSA-N	00100010000000101000010000000000000000000000000000000000	22-01-142641
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CCCS(=O)(=O)N1CCCC1C(=O)N1CCC2(C(C1)C2(F)F)C	MCULE-1429303480,EMOLS-id_98721378	350.424	LZPMLGWSMLRDNW-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142645
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F	ZINC22_329174627	350.424	LZPMLGWSMLRDNW-BZPMIXESSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142646
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CC(N(P(OCCC#N)OCC1[C@@H]2[C@H]1CCC#CCC2)C(C)C)C	PC-id_102339872	350.435	FRCJVMMKDSNCRG-SZKUSEGLSA-N	00100000000000000110010000000000000000000000000000000000	22-01-142689
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F	ZINC22_329174631	350.424	LZPMLGWSMLRDNW-MBNYWOFBSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142648
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(C)[C@@H](C1)C2(F)F	ZINC22_329174632	350.424	LZPMLGWSMLRDNW-YRGRVCCFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142649
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CN(C)C(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)cc1	ZINC22_408504528	350.433	VFNVPVCYHOTZMJ-BFHYXJOUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142677
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C1CCCC(CC1)C(=O)NCC1C2C1CN(C2)CC1(CCOCC1)O	PC-id_134274253,SCHEMBL19888396	350.496	DKFLLJGMHQRPTP-UHFFFAOYSA-N	00100010000010000100010000000000000000000000000000000000	22-01-142795
COCC(CN1CC2[C@H](C1)C2CNC(=O)C1(CCCC1)C(=O)C)(C)C	PC-id_145137542	350.496	LVHTVNFZONGBPB-AQFXKWCLSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142796
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CCC[C@H](N[C@@H]1[C@H]2CCCCN[C@H]12)c1ccc(Oc2ccccc2)cc1	ZINC22_2325822278	350.497	NYUHMUHABUFOKY-CWBXHPNXSA-N	00100000000000110100010000000000000000000000000000000000	22-01-142800
CCC[C@H](N[C@@H]1[C@@H]2CCCCN[C@@H]12)c1ccc(Oc2ccccc2)cc1	ZINC22_2325822279	350.497	NYUHMUHABUFOKY-KAOXLYBCSA-N	00100000000000110100010000000000000000000000000000000000	22-01-142801
CCC[C@H](N[C@@H]1[C@H]2CCCCN[C@@H]12)c1ccc(Oc2ccccc2)cc1	ZINC22_2325822280	350.497	NYUHMUHABUFOKY-MYDTUXCISA-N	00100000000000110100010000000000000000000000000000000000	22-01-142802
CCC[C@H](N[C@H]1[C@H]2NCCCC[C@@H]12)c1ccc(Oc2ccccc2)cc1	ZINC22_2325822281	350.497	NYUHMUHABUFOKY-WZYRSQIMSA-N	00100000000000110100010000000000000000000000000000000000	22-01-142803
C#CCN1CCC(CC1)CC/C(=N/O)/c1ccc(c2c1C2)CCC1CC1	PC-id_143570716	350.497	ZDVSQSVYFGSAEH-VHXPQNKSSA-N	00100000000010100000010000000000000000000000000000000000	22-01-142804
CC/C=CC
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CCCCCCc1ccc(c(c1)CS(=O)(=O)NC1C2C1CNC2)C	PC-id_70205795,SCHEMBL7846466	350.519	LOHBAYMTOUYUGA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142806
CCCCCCN1CC2C(C1)C2(C)C(S(=O)(=O)N)c1ccccc1	PC-id_70205793,SCHEMBL7846462	350.519	KKLXBKQNVNEXCV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142807
C1CC2C(O2)CC1CCCCCOCCCCCC1CCC2C(C1)O2	SCHEMBL5817818,PC-id_87897210	350.535	MOMYJISSSVYBRB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142808
C#CCC1CC(C)CCCC2(C)OC2(O)CCOCCCC(C1)(C)C	PC-id_141104258	350.535	VLCDFNBOOSKGAK-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-142809
CC(CCCC1CCC2C(C1)O2)OC(C)CCCC1CCC2C(C1)O2	PC-id_87898304,SCHEMBL5822759	350.535	PLCIMLPESBUNSF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142810
CC(C)(CCC1CCC2C(C1)O2)OC(C)(C)CCC1CCC2C(C1)O2	PC-id_87898312,SCHEMBL5822786	350.535	VQDQCFLYOSGMHR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142811
CCC(C)(CC1CCC2C(C1)O2)OC(C)(CC)CC1CCC2C(C1)O2	SCHEMBL5822756,PC-id_87898303	350.535	VYMCHPFPELUIJI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142812
CCCCCCCCCCCCCC=C1CCC(C2C1O2)CC(=O)O	PC-id_88599644	350.535	IIXKDUOXAWMIBP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142813
CCCCCCCCCCCCC/C=C/1CC[C@@H]([C@@H]2[C@H]1O2)CC(=O)O	SCHEMBL10359294	350.535	IIXKDUOXAWMIBP-QKSKWADASA-N	00100000000010000000010000000000000000000000000000000000	22-01-142814
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CC1CC2CC2N(CC(C1C(C)CCC1C(N(C2C(O1)O2)C)C)C)C	PC-id_91314911	350.539	QAEVFFQBEMCRHZ-UHFFFAOYSA-N	00100000000010000101010000000000000000000000000000000000	22-01-142819
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CCOc1c(c(cc(c1)/C=NNC(=O)[C@@H]1[C@@H]2[C@]1(CCCC2)C)Cl)O	PC-id_137170349	350.84	UCXINMPUEWYJKW-CFGKLSJISA-N	00100000000010110000010000000000000000000000000000000000	22-01-142852
CCOc1c(c(cc(c1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(CCCC2)C)Cl)O	PC-id_137170350	350.84	UCXINMPUEWYJKW-GLFNBLRSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142853
CCOc1c(c(cc(c1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(CCCC2)C)Cl)O	PC-id_137170351	350.84	UCXINMPUEWYJKW-YEKHUIDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142854
Clc1cccc(c1)C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C	SCHEMBL1340319,PC-id_66998756	350.84	ACRRFNKZCZJRCC-AEGPPILISA-N	00100010000000110000010000000000000000000000000000000000	22-01-142855
Clc1cc(C(=O)NCC2N(CC3C2C3)C(=O)OC(C)(C)C)ccc1	PC-id_77247830	350.84	ACRRFNKZCZJRCC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142856
NC(=O)N(c1ccc(c(c1)Cl)OCC1CO1)CCC1C2C1CCC2	PC-id_145797791	350.84	BCAPYVFVQLNCDZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142857
O=C([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NCc1ccc(cc1)Cl	SCHEMBL20676685	350.84	MPOOEPWHVKDOMM-FICVDOATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142858
Clc1c(S(=O)(=O)NC2C3C2CNC3)cc(S(=O)(=O)C)cc1	PC-id_43597406	350.841	ZBKVGDOZLBZBIF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142859
C[C@@]12C[C@H](N[C@@H]1C2)C(=O)Nc1c(ccc(n1)Cl)CN1CCOCC1	PC-id_135317880	350.843	DISJJYRBTZSJDM-AHIWAGSCSA-N	00100010000010101001010000000000000000000000000000000000	22-01-142860
O=C(C1(C)CC=C2C(C1)C2)OCCC(COS(=O)(=O)Cl)(C)C	SCHEMBL20869854,PC-id_138517808	350.858	VVBGKHTVLFRAPQ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142861
CC(C=N)(C12NI1N2)I	PC-id_153007092	350.873	CPYAQHQOFOONTE-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-142862
CC1C(CC2C1C2C(=O)OC(C)(C)C)OCc1cc(c(cc1)C)Cl	SCHEMBL20309294,PC-id_135160501	350.88	RUSHIEOMDNYVSE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142863
ClCC(=O)O[C@@]12CCC[C@@]1(C2)CCCCCOCc1ccccc1	PC-id_102124051	350.88	RQEBBUDWIQGSHB-WOJBJXKFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142864
ClCC(=O)O[C@@]12CCCC[C@@]1(C2)CCCCOCc1ccccc1	PC-id_102124058	350.88	YGBZVBKVXLIRBJ-VQTJNVASSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142865
CCC(c1ccc(cc1)Cl)NC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_113934616	350.883	YKHHFZCPVSKNFE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142866
CC(Cc1ccc(cc1)Cl)NC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_114081257	350.883	VHQPYTJLIMQKAV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142867
Clc1cccc(c1)CNCC1C2C1CN(C2)CC1(O)CCOCC1	PC-id_66775041,SCHEMBL708524	350.883	SVMMYLMSRHKJDF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142868
Oc1cc(Cl)cc(c1)C(=O)NCC1C2C1CN(C2)CCC(C)(C)C	PC-id_142385562	350.883	SFUOIYBLAUZEJB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142869
CCN(CC)C(=O)N1C[C@H]2[C@H](CN(C)Cc3cccnc3Cl)[C@H]2C1	MCULE-8336772440,ZINC22_102615699,EMOLS-id_43138814	350.886	RXHWRPPBEDXWGW-PHZGNYQRSA-N	00100010000000101000010000000000000000000000000000000000	22-01-142870
Clc1ncccc1CN(CC1C2C1CN(C2)C(=O)N(CC)CC)C	PC-id_76436863	350.886	RXHWRPPBEDXWGW-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-142871
Clc1ncccc1CN(CC1[C@@H]2[C@H]1CN(C2)C(=O)N(CC)CC)C	PC-id_56903006	350.886	RXHWRPPBEDXWGW-MQVJKMGUSA-N	00100010000000101000010000000000000000000000000000000000	22-01-142872
C1CC2CC2(C1)[I]=[I]N	PC-id_163747463	350.898	LNBZATYSYLBDPB-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142873
C=CCC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2C[C@]3(C[C@H]3N2)CO	PC-id_153306787	351.058	GHFZYBSVBVTHKF-RWSFTLGLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-142874
CC(=O)NCC12C[C@H](NC1C2)C(=O)NC3=CC(=CC=C3)Br	PC-id_153456641	351.058	WAOBDUGJXNNOOD-OPFPJEHXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142875
O=C(c1sc(c(c1)Br)Br)N1CC2C(C1)C2	EMOLS-id_107424380	351.058	CEXJFHIPOLWLBN-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-142876
CN([C@H]1CCC[C@H]2[C@@H]1O2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F	PC-id_161253267	351.075	WTIMXYLRGYJAFH-RWMBFGLXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142878
Brc1cc(sc1Br)C(N)C1C2C1CCC2	PC-id_81631321	351.101	OMRKHGFCGLWXFK-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142879
Brc1cc(sc1Br)C(N)C1CC2C(C2)C1	PC-id_80532988	351.101	OYUPEHDDESDPTB-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142880
Brc1sc(Br)cc1C(N)C1C2C1CCC2	PC-id_81624996	351.101	OUVSVNSGYYYCPH-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142881
Brc1sc(Br)cc1C(N)C1CC2C(C2)C1	PC-id_80467072	351.101	ZYNNETOWFZWQOQ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-142882
C1[C@H]2[C@@H]([C@H]2[C@]([C@H]1F)(CC(=O)O)N)C(=O)OCOC(=O)C3=CC=CC=C3	PC-id_152178468	351.112	VQSWTEPTMAOQAO-PAQTWDICSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142883
CCOC(=O)CC(C1C2C1CC(C2)O)NC(=O)C3=CC=C(C=C3)Cl	PC-id_153288971	351.124	IGOLMDQUWHNWJZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142884
CCOC(=O)CC(C1[C@H]2[C@@H]1CC(C2)O)NC(=O)C3=CC=C(C=C3)Cl	PC-id_147913352	351.124	IGOLMDQUWHNWJZ-PCQUJAHOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142885
C1C2C(C2C[N-]CC3=CC(=CC=C3)C(C(F)(F)F)C(F)(F)F)CN1	PC-id_161473465	351.13	WDJYKYQQNBBEHA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142886
CC(C)CC(C(=O)OC12CC1CNC2C(=O)N)NC(=O)C(F)(F)F	PC-id_164885038	351.141	AWDKSFPBQCLISN-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142887
COC(=O)[C@@H]1CC2C(O2)CN1C(=O)C(c1ccccc1)c1ccccc1	PC-id_164067724	351.147	WMJLJAIFHJJVJK-AOCRQIFASA-N	00100000000010110000010000000000000000000000000000000000	22-01-142888
CC[C@H](C1[C@H]2[C@@H]1CC(C2)C(CO)CO)NC(=O)C3=CC=C(C=C3)Cl	PC-id_146707658	351.16	QZVJNUDCOCEXNK-WQSAVRBUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142889
CC[C@H](C1[C@H]2[C@H]1CC(C2)C(CO)CO)NC(=O)C3=CC=C(C=C3)Cl	PC-id_153517054	351.16	QZVJNUDCOCEXNK-GXHJSMMNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142890
Ic1ccc(S(=O)(=O)N2C3C2COC3)cc1	PC-id_21815243	351.161	CLCVZSNJUUFFGV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142891
C1CC2C(O2)CC1CC3(CCC4C(C3)O4)OC(=O)CCCCC(=O)[O-]	PC-id_154000539	351.181	ZIYLOSZATLDGDI-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-142892
COC(=O)C(CNC(=O)C1C2C1CCCC2)I	PC-id_103493455	351.181	KUIIGSIBVPIBBC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-142893
Ic1cc2-c(c2Oc2c(CN(C)C)cccc2)c1	PC-id_69566854	351.182	HZZUQFQCJVIAES-UHFFFAOYSA-N	00110010100000110000010000000000000000000000000000000000	22-01-142894
CC(=O)OC1C2CC2(C(C1C(O)OC)OC(=O)C)CBr	PC-id_89372071,SCHEMBL14568705	351.19	DUPKKZDMUGGMDC-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142895
BrC1=CC(OC)(OC)C(O)(C2OC12)C#Cc1ccccc1	PC-id_72772006	351.192	INMWEKAAVQBEKA-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-142896
BrC1=CC(OC)(OC)[C@@](O)([C@H]2O[C@@H]12)C#Cc1ccccc1	PC-id_11256629	351.192	INMWEKAAVQBEKA-KKUMJFAQSA-N	00100000000011110000010000000000000000000000000000000000	22-01-142897
CCOC(=O)C1CC2(CC2N1C(=O)[O-])CNC(=O)CC(C)(C)CC=C	PC-id_152597019	351.193	YWRYXDHGNKDOOF-UHFFFAOYSA-M	00100010000000000000010000000000000000000000000000000000	22-01-142898
CN(Cc1ccccc1Br)C(=O)CN1C(=O)[C@H]2C[C@@H]2C1=O	ZINC22_134796227	351.195	OWCHZYHKTRPVKK-QWRGUYRKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142899
CN(Cc1ccccc1Br)C(=O)CN1C(=O)[C@@H]2C[C@H]2C1=O	ZINC22_134796249	351.195	OWCHZYHKTRPVKK-GHMZBOCLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142900
CN(Cc1ccccc1Br)C(=O)CN1C(=O)[C@H]2C[C@H]2C1=O	ZINC22_89744104	351.195	OWCHZYHKTRPVKK-PHIMTYICSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142901
O=C(CNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]12)Nc1ccc(Br)cc1	ZINC22_906325184	351.195	KRFOPMYGBGRSRP-DDTOSNHZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142902
O=C(CNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]12)Nc1ccc(Br)cc1	ZINC22_906325191	351.195	KRFOPMYGBGRSRP-LEWSCRJBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142903
O=C(CNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]12)Nc1ccc(Br)cc1	ZINC22_906325192	351.195	KRFOPMYGBGRSRP-ZLKJLUDKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142904
O=C(CNC(=O)[C@H]1[C@H]2C(=O)CC[C@@H]12)Nc1ccc(Br)cc1	ZINC22_906325188	351.195	KRFOPMYGBGRSRP-LERXQTSPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142905
O=C(N(Cc1ccccc1Br)C)CN1C(=O)C2C(C1=O)C2	MCULE-2681456725,EMOLS-id_98161926	351.195	OWCHZYHKTRPVKK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142906
CC(C)[NH2+]C(=CC(=N)C1=CC(=C(N=C1)N)OC(F)F)C2C3C2CCC3	PC-id_148367310	351.199	LLPUWPXLWWULNK-UHFFFAOYSA-O	00100010000010101000010000000000000000000000000000000000	22-01-142907
CC(CC1C2C1CCC(CC2)NC(=O)OCC3=CC=CC=C3)C(F)F	PC-id_147449045	351.201	DXRXSNZRVVKXEE-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-142908
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3C[C@@H]4[C@H](C3)C4N	PC-id_153288839	351.202	VAWNNPRJWLHFCF-SHYIKFMPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142909
[N-]=[N+]=NC[C@@]12C[C@H](N[C@@H]1C2)C(=O)Nc1nc(Br)ccc1C	PC-id_142420638	351.202	KWZPAWNWIRSPCV-RWEMILLDSA-N	00100010000000101000010000000000000000000000000000000000	22-01-142910
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)OCC(=O)C3CCCCC3	PC-id_154795876	351.205	HCLWYLKRZCFIRU-KFWWJZLASA-N	00100010000010000000010000000000000000000000000000000000	22-01-142911
Cc1ccc(cc1)C(c1cc(c(cc1)N)N(O)[O-])C12CCCCCC1C2	PC-id_163838065	351.208	QUMRVYNFTKJILK-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-142912
CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)OC2C[C@@H]3CC3C2	PC-id_148931099	351.216	PLYRLOHBVZYKKF-FDZXDKCCSA-N	00100010000010000000010000000000000000000000000000000000	22-01-142913
c1cc(c2c(c1)O2)CCC(OC(CCc1c2c(ccc1)O2)Cl)Cl	SCHEMBL1685768,PC-id_87276787	351.224	NJVQEJKDQDXCQQ-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-142914
O=C(c1c(C)onc1c1c(Cl)cccc1Cl)NC1CC2C(C1)C2	EMOLS-id_102232020	351.227	AQFWOFODQMGMRW-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-142915
O=C(c1cnnn1c1c(Cl)cccc1Cl)N1CC2C(C1)C2(C)C	EMOLS-id_100347015	351.23	NNOJMRFYPRNCCE-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-142916
O=C(c1nn(c(n1)C)c1c(Cl)cccc1Cl)NC1CC2C(C1)C2	EMOLS-id_102235895	351.23	SYIICABBGBTQDC-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-142917
O=C([C@@H]1[C@@H]2[C@H]1CNC2)Nc1ccnn1Cc1cccc(c1Cl)Cl	EMOLS-id_319559968	351.23	FOFBTZINXLAICF-YABSGUDNSA-N	00100010100000110001010000000000000000000000000000000000	22-01-142918
Brc1ccc(cc1)OCCOC(=O)C(=C)C12CCCC2C1	PC-id_59824540,SCHEMBL14019688	351.235	CUCKQMNQJLKOJN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142919
CCOC(=O)[C@@H]1CC2CC2C[C@H]1C(=O)c1ccc(Br)cc1	EMOLS-id_320386737	351.235	LXVNDFARDQAQFX-BBNOBNGHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142920
COC(=O)C1CC2CC2CC1C(=O)Cc1ccc(cc1)Br	SCHEMBL16618143,PC-id_117993788	351.235	YSIDSQIXUDJJOJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142921
COC(=O)C1CCC2C(C1)(C2)C(=O)Cc1ccc(cc1)Br	PC-id_141441108	351.235	QPBZJDSZHKMYPI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142922
COC(=O)[C@@H]1CC2CC2C[C@H]1C(=O)Cc1ccc(cc1)Br	SCHEMBL16618142,PC-id_117993787	351.235	YSIDSQIXUDJJOJ-BBNOBNGHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142923
Brc1ccc(CN(C(=O)C2CC3C(C3)C2)CC(=O)N)cc1	PC-id_80469671	351.238	SCSALHSILJYXJK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142924
BrC1=CC(=CNNC(=O)C2C3(C2CCCC3)C)C=CC1=O	PC-id_16486878	351.238	FSRRRZNGYGDCLQ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142925
BrC1=C/C(=C/NNC(=O)C2C3(C2CCCC3)C)/C=CC1=O	PC-id_5944267	351.238	FSRRRZNGYGDCLQ-MDZDMXLPSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142926
BrC1=C/C(=C/NNC(=O)C2C3(C2CCCC3)C)/C(=O)C=C1	PC-id_49875743	351.238	XVEHAWUGUYJXAA-KTKRTIGZSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142927
BrC1=CC(=CNNC(=O)C2C3(C2CCCC3)C)C(=O)C=C1	PC-id_6073867	351.238	XVEHAWUGUYJXAA-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142928
Brc1cc(C=NNC(=O)C2[C@@H]3[C@H]2CCCC3)c(OC)cc1	PC-id_5435125	351.238	QMWBRQVTGBUOAJ-NNQSOWQGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142929
BrC1=CC(=CNNC(=O)[C@@H]2[C@]3([C@@H]2CCCC3)C)C=CC1=O	PC-id_40592156	351.238	FSRRRZNGYGDCLQ-DJSGYFEHSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142930
BrC1=CC(=CNNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)C=CC1=O	PC-id_40592258	351.238	FSRRRZNGYGDCLQ-PEYYIBSZSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142931
BrC1=CC(=CNNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)C(=O)C=C1	PC-id_26477074	351.238	XVEHAWUGUYJXAA-BJJXKVORSA-N	00100000000011000000010000000000000000000000000000000000	22-01-142932
Brc1c(C=NNC(=O)C2C3C2CCCC3)cc(OC)cc1	PC-id_4100497	351.238	URROKRCAGFLLAY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142933
Brc1c(/C=N/NC(=O)C2C3C2CCCC3)cc(OC)cc1	PC-id_56698147	351.238	URROKRCAGFLLAY-GIJQJNRQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142934
C12CCCCC1C2C(=O)NN=Cc1cc(Br)ccc1OC	MCULE-9494859533,PC-id_3397347	351.238	QMWBRQVTGBUOAJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142935
C12(CCCCC1C2C(=O)NN=Cc1ccc(c(Br)c1)O)C	MCULE-3932278854	351.238	HOUHLJHIHGUUCB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142936
CC12CCCCC1C2C(=O)N/N=C/c1c(ccc(c1)Br)O	PC-id_135684525	351.238	MBCOXVJKGCZOHJ-GIJQJNRQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142937
CC12CCCCC1C2C(=O)N/N=C/c1ccc(O)c(Br)c1	PC-id_135590169,TIMTEC197891,EMOLS-id_26683001	351.238	HOUHLJHIHGUUCB-GIJQJNRQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142938
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1c(ccc(c1)Br)O	PC-id_135905567	351.238	MBCOXVJKGCZOHJ-BYITYFGFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142939
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1c(ccc(c1)Br)O	PC-id_136856611	351.238	MBCOXVJKGCZOHJ-NDUKABBZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142940
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=Cc1c(ccc(c1)Br)O	PC-id_137030314	351.238	MBCOXVJKGCZOHJ-MMYJEXDXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142941
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=Cc1c(ccc(c1)Br)O	PC-id_137030315	351.238	MBCOXVJKGCZOHJ-WKQKGQKGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142942
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1cc(c(cc1)O)Br	CoCoCo_6561704,PC-id_136911549	351.238	HOUHLJHIHGUUCB-KPDSBWHNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142943
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1cc(c(cc1)O)Br	PC-id_136829075	351.238	HOUHLJHIHGUUCB-SMQJJIKISA-N	00100000000010110000010000000000000000000000000000000000	22-01-142944
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1cc(c(cc1)O)Br	PC-id_136829076	351.238	HOUHLJHIHGUUCB-PRFVLKADSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142945
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1cc(c(cc1)O)Br	PC-id_136911547,CoCoCo_6561708	351.238	HOUHLJHIHGUUCB-CNFMVOBASA-N	00100000000010110000010000000000000000000000000000000000	22-01-142946
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=Cc1cc(c(cc1)O)Br	PC-id_137030296,CoCoCo_6561706	351.238	HOUHLJHIHGUUCB-WTCCBRQFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142947
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=Cc1cc(c(cc1)O)Br	PC-id_137030297	351.238	HOUHLJHIHGUUCB-PRQQIBIQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142948
COc1ccc(Br)cc1/C=N/NC(=O)C1C2CCCCC12	EMOLS-id_26764708,SPECS-id_AG-205/07761042,PC-id_9667245	351.238	QMWBRQVTGBUOAJ-GIJQJNRQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142949
COc1ccc(cc1/C=NNC(=O)C1[C@H]2[C@H]1CCCC2)Br	PC-id_98155719	351.238	QMWBRQVTGBUOAJ-QILGALRJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142950
COc1ccc(cc1/C=NNC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)Br	CoCoCo_1894947	351.238	QMWBRQVTGBUOAJ-SRYPFWKDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142951
COc1ccc(cc1/C=N/NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)Br	CoCoCo_1894948	351.238	QMWBRQVTGBUOAJ-VVQWFSMMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142952
COc1ccc(cc1/C=NNC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2)Br	CoCoCo_1894949	351.238	QMWBRQVTGBUOAJ-ZKVUORSJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142953
COc1ccc(cc1/C=N/NC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2)Br	CoCoCo_1894950	351.238	QMWBRQVTGBUOAJ-LVHOEKHHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142954
O=C([C@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=C/c1ccc(c(c1)Br)O	CoCoCo_6561703	351.238	HOUHLJHIHGUUCB-GRNPJDHKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142955
O=C([C@H]1[C@H]2[C@]1(C)CCCC2)N/N=C/c1ccc(c(c1)Br)O	CoCoCo_6561705	351.238	HOUHLJHIHGUUCB-WHLRTTNFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142956
O=C([C@@H]1[C@H]2[C@]1(C)CCCC2)N/N=C/c1ccc(c(c1)Br)O	CoCoCo_6561707	351.238	HOUHLJHIHGUUCB-OQMPAEFTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142957
O=C([C@@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=Cc1ccc(c(c1)Br)O	CoCoCo_6561709	351.238	HOUHLJHIHGUUCB-CWYSHGAFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142958
O=C([C@@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=C/c1ccc(c(c1)Br)O	CoCoCo_6561710	351.238	HOUHLJHIHGUUCB-LPXHQVPWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142959
Brc1ccc(cc1)S(=O)(=O)N[C@@]12OCCN[C@@H]1S2	PC-id_97309205	351.24	SGBZTOFXJVPHAB-NXEZZACHSA-N	00100000000010110001010000000000000000000000000000000000	22-01-142960
Brc1ccc(cc1)S(=O)(=O)N[C@]12OCCN[C@H]1S2	PC-id_97309206	351.24	SGBZTOFXJVPHAB-UWVGGRQHSA-N	00100000000010110001010000000000000000000000000000000000	22-01-142961
Brc1ccc(cc1)S(=O)(=O)N[C@]12OCCN[C@@H]1S2	PC-id_98049027	351.24	SGBZTOFXJVPHAB-ZJUUUORDSA-N	00100000000010110001010000000000000000000000000000000000	22-01-142962
Brc1ccc(cc1)S(=O)(=O)N[C@@]12OCCN[C@H]1S2	PC-id_98049028	351.24	SGBZTOFXJVPHAB-VHSXEESVSA-N	00100000000010110001010000000000000000000000000000000000	22-01-142963
Brc1ccc(S(=O)(=O)NC23SC2NCCO3)cc1	PC-id_75492653	351.24	SGBZTOFXJVPHAB-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-142964
CC(C)CCOCCOCCNC(=O)OCC1[C@H]2[C@@H]1CCC#CCC2	PC-id_164930751	351.241	PYYIBGSWXRKSEA-DFNIBXOVSA-N	00100000000000000110010000000000000000000000000000000000	22-01-142965
Brc1cnc(N2CCN(C(=O)C3CC4C(C4)C3)CC2)nc1	PC-id_80469916	351.242	GXCQQAXVCWTRHN-UHFFFAOYSA-N	00100010000010100001110000000000000000000000000000000000	22-01-142966
C1C2C1NC(C=C2)CN(CCNCC1C=CC=CN1)Cc1ccccn1	PC-id_163721021	351.242	KRPCFIZERGAVCG-UHFFFAOYSA-N	00100000000011101000010000000000000000000000000000000000	22-01-142967
NC(=O)C(C(NC(=O)[C@H]1N(CC2[C@@H]1C2(C)C)B(O)C)CC1CCC1)O	SCHEMBL13254673,PC-id_59191880	351.249	ALGCOTGOYVOZCE-SCUKAZRWSA-N	00101010000000000000010000000000000000000000000000000000	22-01-142968
O=C(NC(CC1CCC1)C(O)C(=O)N)C1N(CC2C1C2(C)C)B(O)C	PC-id_72539515	351.249	ALGCOTGOYVOZCE-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-142969
CC[C@@]12C[C@H]1C(=C(CCC2CCNC)O)S[C@@H]1CCCC(CC1)C	PC-id_164127471	351.26	YKTPGEWUTRKDQP-AAIUUVCNSA-N	00100000000000000110010000000000000000000000000000000000	22-01-142970
CCC[C@@H](C[C@@H](C)C[S+]([C@@H]1CC[C@@H]2C=C2C1)[C@H](C)CC)CC(=O)C	PC-id_164035984	351.272	VMBUCQNJTFIUMD-IAWWMJCWSA-N	00110000000010000000010000000000000000000000000000000000	22-01-142971
Cc1nc(sc1Br)S(=O)(=O)N1CC2C(C1)C2(C)C	EMOLS-id_110709716	351.283	UFRYDWWKJORTLC-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-142972
C1CC[C@@H]2[C@@H](N2C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1	PC-id_135078910	351.287	FJIHLSJERGNKQX-OQGTXSJUSA-N	00100000000000110100010000000000000000000000000000000000	22-01-142973
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1C2C1CCCCC2	PC-id_101434551	351.287	FJIHLSJERGNKQX-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-142974
FC(F)(F)CC(=O)NNC(=O)C1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_77392409	351.322	SEZOURHFRUCFGQ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142975
FC(F)(F)CC(=O)NNC(=O)C1C2[C@@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_68396311,SCHEMBL12835644	351.322	SEZOURHFRUCFGQ-JEUQWKINSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142976
FC(F)(F)CC(=O)NNC(=O)C1[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C	SCHEMBL9965920,PC-id_67987578	351.322	SEZOURHFRUCFGQ-JWHQNHQBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142977
O=C(CC(F)(F)F)NNC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	SCHEMBL16182226	351.322	SEZOURHFRUCFGQ-MBTKJCJQSA-N	00100010000000000000010000000000000000000000000000000000	22-01-142978
Cc1ccc(cc1)n1[nH]c(cc1=O)C(=O)N1CC2C(C1)(C2)C(F)(F)F	MCULE-3843063421,EMOLS-id_316823554	351.323	QQMXDGKZTSEHBA-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-142979
Cc1ccc(n2[nH]c(C(=O)N3C[C@H]4C[C@@]4(C(F)(F)F)C3)cc2=O)cc1	ZINC22_888092721	351.323	QQMXDGKZTSEHBA-BDJLRTHQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-142980
Cc1ccc(n2[nH]c(C(=O)N3C[C@H]4C[C@]4(C(F)(F)F)C3)cc2=O)cc1	ZINC22_888092723	351.323	QQMXDGKZTSEHBA-BZNIZROVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-142981
Cc1ccc(n2[nH]c(C(=O)N3C[C@@H]4C[C@@]4(C(F)(F)F)C3)cc2=O)cc1	ZINC22_888092727	351.323	QQMXDGKZTSEHBA-MEDUHNTESA-N	00100010100000110001110000000000000000000000000000000000	22-01-142982
Brc1cc(Cl)c(S(=O)(=O)NC2C3C2CNC3)cc1	PC-id_43597312	351.647	JIRCCPNBIYQHBE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143166
Cc1ccc(n2[nH]c(C(=O)N3C[C@@H]4C[C@]4(C(F)(F)F)C3)cc2=O)cc1	ZINC22_888092728	351.323	QQMXDGKZTSEHBA-ZBEGNZNMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-142983
C[C@@H]1C[C@@H]2[C@H]([C@@]1(C(=O)OCOC(=O)c1ccccc1)N)[C@]2(C(=O)O)F	PC-id_137489500,SCHEMBL20732005	351.326	SPSSTNNFSDRRSC-XZSFWYFXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142984
O=C1CC2CC2C(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C	PC-id_102082245	351.331	NDQWBYOLPHKHGX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142985
S(=O)(=O)(c1cc([N+](=O)[O-])c(C(=O)C2C(=O)[C@H]3[C@H](C3)CC2=O)cc1)C	PC-id_76315993	351.331	NDQWBYOLPHKHGX-NIHIGFJPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-142986
Cn1cc(c(n1)C(F)(F)F)S(=O)(=O)NC(=O)C1CCC2CC2C1	EMOLS-id_112095824,PC-id_136548530,MCULE-2798103075	351.345	DNEOEEMQHGPTTC-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-142987
Cn1cc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)c(C(F)(F)F)n1	ZINC22_408494545	351.345	DNEOEEMQHGPTTC-DJLDLDEBSA-N	00100000100010000001010000000000000000000000000000000000	22-01-142988
Cn1cc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)c(C(F)(F)F)n1	ZINC22_408494547	351.345	DNEOEEMQHGPTTC-HLTSFMKQSA-N	00100000100010000001010000000000000000000000000000000000	22-01-142989
Cn1cc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C(F)(F)F)n1	ZINC22_408494550	351.345	DNEOEEMQHGPTTC-IWSPIJDZSA-N	00100000100010000001010000000000000000000000000000000000	22-01-142990
Cn1cc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c(C(F)(F)F)n1	ZINC22_408494551	351.345	DNEOEEMQHGPTTC-YIZRAAEISA-N	00100000100010000001010000000000000000000000000000000000	22-01-142991
O=C(NS(=O)(=O)c1cn(nc1C(F)(F)F)C)CC1CCC2C1C2	EMOLS-id_112080944	351.345	BIONGZPMNLSBNB-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-142992
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1ccc(c(OC)c1OC)OC)C(=O)O	MCULE-2204290913,PC-id_135097212,ZINC22_1704307896,EMOLS-id_317327732	351.351	LWECVKFGKYKRLI-CALCHBBNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142993
Cc1noc(c1)Cn1nnc(c1C)C(=O)N1CCC2(C(C1)C2(F)F)C	EMOLS-id_98721351,MCULE-9420075700	351.351	MWHUQGSITPJLBP-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-142994
BrC1(C2C1C=CCC2)C(O[Si](C)(C)C)c1ccccc1	PC-id_85805402	351.353	UJFBKKJTJQYVFA-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-142995
CC1(C2(C1(OC(C2([N-][N+]#N)O)C(C(Cc1ccccc1)O)O)O)O)C	PC-id_91103283	351.354	MKDLAUNPVAEYDT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142996
CCCC[C@H](CC)N1[C@@H](CC2(N1[C@H]2N)C)CCC(CCC)CC(C)C	PC-id_163810723	351.361	NMZMFHGNBGHHAI-UTEYUWFFSA-N	00100010000000000001010000000000000000000000000000000000	22-01-142997
C=CCOCC#CNC1[C@H](OCc2ccc(c(c2)F)F)C[C@@H]2C1C2F	SCHEMBL19508376	351.363	JAZCVRDMIXTSRS-WWTVGHIYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-142998
Fc1ccc(c(c1)[N+](=O)[O-])NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C	PC-id_141660468	351.373	FSMMKUGLURTKHU-ITDIGPHOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-142999
Cc1ccc(cc1)S(=O)(=O)OC1CC(=CC2C1N2C(=O)C)C(=O)O	PC-id_87758709	351.374	JJFAOGUDMYEVQR-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-143000
Cc1ccc(cc1)S(=O)(=O)O[C@@H]1CC(=C[C@H]2[C@H]1N2C(=O)C)C(=O)O	SCHEMBL4976078	351.374	JJFAOGUDMYEVQR-HGJUEJOTSA-N	00100000000011110000010000000000000000000000000000000000	22-01-143001
[Se](C1CC2C(C2(C)C)CC1C)CC(OC)c1ccccc1	PC-id_73122935	351.385	OPJPBKJLSADJPZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143002
[Se]([C@H]1C[C@@H]2[C@@H](C2(C)C)C[C@H]1C)CC(OC)c1ccccc1	PC-id_11843263	351.385	OPJPBKJLSADJPZ-CIAOVOMPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143003
[Se]([C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@H]1C)CC(OC)c1ccccc1	PC-id_11843527	351.385	OPJPBKJLSADJPZ-COBGRGKHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143004
CSCCCC(=O)N[C@]1(CS(=O)(=O)[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)O	PC-id_67561732,SCHEMBL8354072	351.396	LSCDKQFYCIARTD-XBWDGYHZSA-N	00100010000010000000010000000000000000000000000000000000	22-01-143005
O=C1C2C(C2)CC(=O)C1C(=O)c1c(c(c(cc1)C)c1onc(c1C)C)C	PC-id_54283958	351.396	RSUACMDEJRQGEL-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-143006
O=C([C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O)OCc1ccccc1c1ccccc1	PC-id_69586834,SCHEMBL5841690	351.396	OWGDTSFEBIOVIU-NTLWEQJWSA-N	00100010000010110000110000000000000000000000000000000000	22-01-143007
O=C(N1C=C[C@@H]2[C@H]([C@H]1COCc1ccccc1)O2)OCc1ccccc1	PC-id_101440365	351.396	IZAJSBKETUCIIR-AQNXPRMDSA-N	00100000000011110000010000000000000000000000000000000000	22-01-143008
O=C(N1C=C[C@H]2[C@@H]([C@H]1COCc1ccccc1)O2)OCc1ccccc1	PC-id_101440369	351.396	IZAJSBKETUCIIR-HSALFYBXSA-N	00100000000011110000010000000000000000000000000000000000	22-01-143009
OC(=O)C1C2C1C(C(C2)C(c1ccccc1)c1ccccc1)(N)C(=O)O	PC-id_67685319,SCHEMBL8764486	351.396	BWVMBEWOLFJIRL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143010
OC(=O)C1C2C1C(C(C2)Cc1ccc(cc1)c1ccccc1)(N)C(=O)O	SCHEMBL8764458,PC-id_67685313	351.396	KMIXMGXDNMBCTI-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-143011
OC(=O)C1C2C1CCC2(N)C(=O)OCc1c(c2ccccc2)cccc1	PC-id_23569556	351.396	ZOORRSGKZBVGEL-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-143012
O(C(=O)C1C2C1CCC2(N)C(=O)O)Cc1c(cccc1)c1ccccc1	PC-id_77689112	351.396	OWGDTSFEBIOVIU-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-143013
OC(=O)c1ccc(CN(Cc2ccccc2)C(=O)C2[C@H]3COC[C@@H]23)cc1	EMOLS-id_313802299	351.396	SMLKDEDZNLQFBC-DFNIBXOVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143014
O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2[C@H]3COC[C@@H]23)cc1	ZINC22_585091810	351.396	SMLKDEDZNLQFBC-BWTSREIZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143015
O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)[C@H]2[C@H]3COC[C@@H]23)cc1	ZINC22_585091811	351.396	SMLKDEDZNLQFBC-REPLKXPHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143016
O=C(Oc1ccoccccc2=c(c1)o2)Nc1ccc(cc1)C(C)(C)C	PC-id_140474162	351.396	WSWNYWOOQQFWQO-UHFFFAOYSA-N	00010000000000110110010000000000000000000000000000000000	22-01-143017
O(C(=O)C1(N)C2C(C2C(=O)O)CC1)C(c1ccccc1)c1ccccc1	PC-id_22173629	351.396	RPCPOGSRBHADAK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143018
O(C(=O)[C@@]1(N)[C@H]2[C@H]([C@@H]2C(=O)O)CC1)C(c1ccccc1)c1ccccc1	SCHEMBL5842444,PC-id_10126034	351.396	RPCPOGSRBHADAK-IAGYGMIVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143019
OC(=O)[C@H]1[C@H]2C1[C@](CC2)(N)C(=O)OC(c1ccccc1)c1ccccc1	PC-id_142261581	351.396	RPCPOGSRBHADAK-XEZJYXBGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143020
OC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]2(N)C(=O)OCc1c(c2ccccc2)cccc1	PC-id_10172799	351.396	ZOORRSGKZBVGEL-NTLWEQJWSA-N	00100010000010110000110000000000000000000000000000000000	22-01-143021
S1(=O)(=O)C2C(C2C(=O)O)C(NC(=O)CCCSC)(C1)C(=O)O	PC-id_77314097	351.396	LSCDKQFYCIARTD-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-143022
CCOC(=O)C12CC1C=CCCCC=NC(=O)NC(C(=O)N2)CCO	PC-id_89206746	351.397	SQPMDLUVYXEHEG-UHFFFAOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-143023
O(C(=O)[C@]12NC(=O)[C@@H](NC(=O)N=CCCCC=C[C@@H]1C2)CCO)CC	PC-id_71032093	351.397	SQPMDLUVYXEHEG-IIYDPXPESA-N	00100000000000000111010000000000000000000000000000000000	22-01-143024
OCC[C@@H]1NC(=O)/N=C/CCC/C=C[C@H]2[C@](NC1=O)(C2)C(=O)OCC	SCHEMBL13951696	351.398	SQPMDLUVYXEHEG-GYFFKFSLSA-N	00100000000000000111010000000000000000000000000000000000	22-01-143025
C1C2C(C2COc2ncc(cc2)C(=O)C=NO)CN1Cc1ccccc1	PC-id_89969929	351.399	MVXNQEQHKDVUGZ-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-143026
CNC(=O)c1nc(Cc2ccccc2)cc(c1)C(=O)NC1C2C1COC2	SCHEMBL19448638	351.399	HJJSDEMGKRTLIU-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-143027
CNC(=O)c1nc(Cc2ccccc2)cc(c1)C(=O)NC1[C@@H]2[C@H]1COC2	PC-id_138557111	351.399	HJJSDEMGKRTLIU-BYICEURKSA-N	00100010000000111000010000000000000000000000000000000000	22-01-143028
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O=C([C@@H]1[C@@H]2[C@H]1CN(C2)Cc1cccc(c1)OCc1ccccn1)N(C)C	EMOLS-id_43066667,MCULE-5317272664	351.442	HAYICWIOTXDSIN-PMOLBWCYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-143112
O=C(N(C)C)C1C2C1CN(C2)Cc1cc(OCc2ncccc2)ccc1	PC-id_76423395	351.442	HAYICWIOTXDSIN-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-143113
O=C(NCCc1ccncc1)C1C2C1CN(C2)Cc1cc(OC)ccc1	PC-id_76423155	351.442	SLMVGTBGMAYXLK-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-143114
O=C(NCCc1ccncc1)C1[C@@H]2[C@H]1CN(C2)Cc1cc(OC)ccc1	PC-id_56883588	351.442	SLMVGTBGMAYXLK-YOFSQIOKSA-N	00100010000000111000010000000000000000000000000000000000	22-01-143115
O=C(N(C)C)C1[C@@H]2[C@H]1CN(C2)Cc1cc(OCc2ncccc2)ccc1	PC-id_56884419	351.442	HAYICWIOTXDSIN-YOFSQIOKSA-N	00100010000000111000010000000000000000000000000000000000	22-01-143116
CCC1C2C(O2)NC(=NCN(C=C1CNC1C(C(C2C1O2)O)C)C)N	PC-id_90771910	351.444	ITJWXGOUWWJAHP-UHFFFAOYSA-N	00100010000000000111010000000000000000000000000000000000	22-01-143117
[C@H]1(C(=O)N2CCC(CC2)c2nccn2Cc2ccncc2)[C@H]2[C@@H]1CNC2	EMOLS-id_48446130,ZINC22_102579273,MCULE-9064106986	351.445	VVSZQQSPSPTITA-PIIMJCKOSA-N	00100010100010101001110000000000000000000000000000000000	22-01-143118
NC(=O)CNC1C2C1CN(C2)CCc1ccc(cc1)c1cccc(n1)N	PC-id_18414488,SCHEMBL6621121	351.445	RSNZZBNAJHZPBR-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-143119
O=C([C@@H]1CC[C@H]2C[C@@H]2C1)N1CCC[C@@H]1Cn1cc(c2cccnc2)nn1	ZINC22_1875338659	351.445	GMVBVSZJFPEONV-BURFUSLBSA-N	00100010100010101001110000000000000000000000000000000000	22-01-143120
O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1CCC[C@@H]1Cn1cc(c2cccnc2)nn1	ZINC22_1875338660	351.445	GMVBVSZJFPEONV-CIRFHOKZSA-N	00100010100010101001110000000000000000000000000000000000	22-01-143121
O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCC[C@@H]1Cn1cc(c2cccnc2)nn1	ZINC22_1875338661	351.445	GMVBVSZJFPEONV-JOCBIADPSA-N	00100010100010101001110000000000000000000000000000000000	22-01-143122
O=C([C@@H]1CC[C@@H]2C[C@H]2C1)N1CCC[C@@H]1Cn1cc(c2cccnc2)nn1	ZINC22_1875338662	351.445	GMVBVSZJFPEONV-XYVMCAHJSA-N	00100010100010101001110000000000000000000000000000000000	22-01-143123
O=C([C@@H]1[C@@H]2[C@H]1CNC2)N1CCC(CC1)c1nccn1Cc1cccnc1	EMOLS-id_46082409,MCULE-3979004109	351.445	SOAGILXDUWDCTI-PIIMJCKOSA-N	00100010100010101001110000000000000000000000000000000000	22-01-143124
O=C(N1CCC(CC1)c1n(Cc2cccnc2)ccn1)C1[C@H]2[C@@H]1CNC2	PC-id_72916756	351.445	SOAGILXDUWDCTI-JWTNVVGKSA-N	00100010100010101001110000000000000000000000000000000000	22-01-143125
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Cc1ccc(cc1)S(=O)OC[C@@H]1C[C@@H]2[C@H](N1C(=O)OC(C)(C)C)C2	SCHEMBL19233881	351.46	XAWAIHHRYWQACZ-QMAOBDKUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143127
O1[N@@+]2(C1C(OC(=O)OCCCCCC)CC2)CC#CCN1CCCC1	PC-id_54296691	351.46	WWVXCWPCGGMCEE-NGICGMGXSA-N	00100010000000000001010000000000000000000000000000000000	22-01-143128
O1[N+]2(C1C(OC(=O)OCCCCCC)CC2)CC#CCN1CCCC1	PC-id_76118186	351.46	WWVXCWPCGGMCEE-UHFFFAOYSA-N	00100010000000000001010000000000000000000000000000000000	22-01-143129
Cc1ccc(cc1)S(=O)(=O)N1C[C@@H]2[C@](C1)([C@H]2C)C#Cc1ccccc1	PC-id_102160959	351.462	HMPQBPHVVAOXMN-DZFGPLHGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143130
CCCC(S(=O)(=O)N)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319430250	351.464	AFFLJCBYJUWEKC-OFTBEEIDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143131
O=C(N1CC2C(C1)C2(C)C)Nc1ccc(c(c1)S(=O)(=O)N(C)C)C	EMOLS-id_111850142	351.464	MFLJBUBMOKVLLI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143132
Nc1cccc(c1)NC12SC(=CC1C2)C(=O)Nc1c(C)cccc1C	PC-id_142946081	351.465	ITZYAOABXXBEGC-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-143133
Cc1nnsc1CN(C)C[C@H]1[C@@H]2CN(C(=O)N3CCOCC3)C[C@H]12	ZINC22_101742427,MCULE-3424846338,EMOLS-id_43055206	351.467	DTHLZDYUAMUGAZ-ZSOGYDGISA-N	00100010100010000001010000000000000000000000000000000000	22-01-143134
s1nnc(c1CN(CC1C2C1CN(C2)C(=O)N1CCOCC1)C)C	PC-id_76422671	351.467	DTHLZDYUAMUGAZ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-143135
s1nnc(c1CN(CC1[C@H]2[C@@H]1CN(C2)C(=O)N1CCOCC1)C)C	PC-id_56881583	351.467	DTHLZDYUAMUGAZ-AGUYFDCRSA-N	00100010100010000001010000000000000000000000000000000000	22-01-143136
CCCCCCCCCCC/C=C(C)/C(=O)[C@]12O[C@H]1C(C)(O)NC2=O	CHEMBL185205,PC-id_10315955	351.48	GOQDTDAWLLFRIT-XFPGOHNLSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143137
C1(CO)(CO)C2C1CN(C(C)CC(c1ccccc1)c1ccccc1)C2	MCULE-3572666356,EMOLS-id_317862572	351.482	JFYNCVOMWNYBMZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143138
C[C@@H](CC(c1ccccc1)c1ccccc1)N1C[C@H]2[C@@H](C1)C2(CO)CO	ZINC22_1772804201	351.482	JFYNCVOMWNYBMZ-BULFRSBZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143139
C[C@H](CC(c1ccccc1)c1ccccc1)N1C[C@H]2[C@H](C1)C2(CO)CO	ZINC22_1772804202	351.482	JFYNCVOMWNYBMZ-WTNAPCKOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143140
C[C@H](CC(c1ccccc1)c1ccccc1)N1C[C@H]2[C@@H](C1)C2(CO)CO	ZINC22_1772804203	351.482	JFYNCVOMWNYBMZ-YHYVQYDKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143141
C[C@H](CC(c1ccccc1)c1ccccc1)N1C[C@@H]2[C@@H](C1)C2(CO)CO	ZINC22_1772804204	351.482	JFYNCVOMWNYBMZ-ZPMCFJSWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143142
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C=O)C	PC-id_89146664	351.484	ROLGUTGOQACVSN-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143143
CCCC(=O)N1CCN(C[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1	ZINC22_1875265566	351.484	ISFAZMMCEWTJCC-BEFAXECRSA-N	00100010000010000001010000000000000000000000000000000000	22-01-143144
Clc1cccc(c1S(=O)(=O)NC1C2C1CNC2)Br	PC-id_114269340	351.647	YMWKEWHAHMYQDY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143168
CCCC(=O)N1CCN(C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1	ZINC22_1875265567	351.484	ISFAZMMCEWTJCC-DNVCBOLYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-143145
CCCC(=O)N1CCN(C[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1	ZINC22_1875265568	351.484	ISFAZMMCEWTJCC-HNAYVOBHSA-N	00100010000010000001010000000000000000000000000000000000	22-01-143146
CCCC(=O)N1CCN(C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1	ZINC22_1875265569	351.484	ISFAZMMCEWTJCC-KXBFYZLASA-N	00100010000010000001010000000000000000000000000000000000	22-01-143147
O=C[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C	SCHEMBL13679531	351.484	ROLGUTGOQACVSN-RFQIPJPRSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143148
O=C(C1CSCN1C(=O)CC1CCC2C1C2)Nc1ncc(s1)C	EMOLS-id_101193817	351.487	YOYOMRBXRXCDEI-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-143149
COC(=O)[C@H]1OS(=O)(=O)N2[C@]([C@@H]1O[Si](C(C)(C)C)(C)C)(C)C2	PC-id_102488769	351.491	OLHNRXQDRACGNV-LNJNBUJESA-N	00100000000010000001010000000000000000000000000000000000	22-01-143150
CCCC[C@]12CCC[C@@]([C@H]1N2S(=O)(=O)c1ccc(cc1)C)(C)OC	PC-id_101495731	351.503	IHGLIJJIVYJTSQ-WRURNZQNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143151
S(=O)(=O)(N1C2C1COC2)c1c(C(C)C)cc(cc1C(C)C)C(C)C	PC-id_11566509	351.503	SABIMNOYQKRUAR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143152
Cc1cc(c(cc1)O)C(CCN(C(C)C)C(C)C)C1=CC=CC2CC2=C1	PC-id_91544163	351.525	HNYXRLHWMLEFCA-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-143153
CCCN1CCCC(C1)C(NC1C2C1CN(C2)C(=O)OC(C)(C)C)C	PC-id_113934575	351.527	JNBZSBKFXNVFDK-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-143154
C/C=C
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C[C@H]1[C@H]2[C@](O2)(CN1S(=O)(=O)c1ccc(cc1)C)/C=C[Si](C)(C)C	PC-id_134956205	351.536	PTJSLLZFWUFERR-IYVJYINHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143156
ClC(Cl)(Cl)C1OC(=O)C2(P(=O)(OC)OC)C(C12)(C)C	PC-id_85296657	351.548	QDYXTODATHPKIA-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143157
ClC(Cl)(Cl)[C@H]1OC(=O)[C@]2(P(=O)(OC)OC)C([C@H]12)(C)C	PC-id_10871858	351.548	QDYXTODATHPKIA-WATHFIQWSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143158
c1ccc([Si](O[C@H]2C[C@@H](N)[C@@H]3C[C@H]23)(c2ccccc2)C(C)(C)C)cc1	EMOLS-id_330719567,MCULE-4426637454,PC-id_154604279	351.557	NMRMFTSBQLWYMG-MHTWAQMVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143159
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC1CC(C2C1C2)N	PC-id_89642374	351.557	NMRMFTSBQLWYMG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143160
CC(C)(C)[Si](O[C@@H]1C[C@H](N)[C@@H]2C[C@H]12)(c1ccccc1)c1ccccc1	EMOLS-id_330719817,SCHEMBL15046925	351.557	NMRMFTSBQLWYMG-IVAOSVALSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143161
CC([Si](c1ccccc1)(c1ccccc1)OCC1CC2C(N1)C2)(C)C	PC-id_141301358	351.557	FBVSRGCFSROIAC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143162
CC([Si](c1ccccc1)(c1ccccc1)OC[C@@H]1CC2C(N1)C2)(C)C	PC-id_141299524	351.557	FBVSRGCFSROIAC-WBTXTPOCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143163
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CC1(CC=C(C=C1)CSC12CN1CCCC=C(S2)SC)C=C	PC-id_91288951	351.593	RZGHLOPOUPTVEO-UHFFFAOYSA-N	00100000000011000111010000000000000000000000000000000000	22-01-143165
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cc(Cl)ccc1OCC=C)C(=O)O	ZINC22_1704309403,MCULE-2445579889,EMOLS-id_317350779,PC-id_135097287	351.782	RVXWJYLYNQXSMG-CALCHBBNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143169
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CCCc1ccc(cc1)Cl	ZINC22_1704311892,PC-id_135096541,EMOLS-id_317336181,MCULE-5113079132	351.782	WBVIENKITPHIRO-CALCHBBNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143170
O=C(NC1CC2C(C1)C2)NC1CC(=O)N(C1)c1ccc(c(c1)F)Cl	EMOLS-id_102184650	351.803	FHTMGLNQTOZILM-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-143171
O=C(NC1CCN(C1=O)c1ccc(c(c1)Cl)F)NC1CC2C(C1)C2	EMOLS-id_102220015	351.803	QOGWWDOYWSLGJD-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-143172
O=C(NC1CCN(C1=O)c1ccc(c(c1)F)Cl)NC1CC2C(C1)C2	EMOLS-id_102217636	351.803	XDBLZCMELPMARV-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-143173
CCCNCC(=O)NC12CC1(C2)NC(=O)COc1ccc(cc1)Cl	SCHEMBL20631998,PC-id_137400293	351.828	PLMRPKNCEQGAHI-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-143174
CC(C(=O)NC12CC1(C2)NC(=O)COc1ccc(cc1)Cl)N(C)C	PC-id_137399927,SCHEMBL20631604	351.828	BECQLOQGTYINSO-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-143175
CNCC(=O)N[C@H]1C[C@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137399048,SCHEMBL20630626	351.828	MQZOMQGSJOADEJ-PFSRBDOWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143176
N#Cc1ccc(c(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)Cl	EMOLS-id_320130564,MCULE-7207892074	351.829	SIQDLZSCBPNEHB-DZFIZOCASA-N	00100010000000110000010000000000000000000000000000000000	22-01-143177
CC1(CCC2C1(C2O)C)Nc1c(c(nc(n1)N)Cl)c1nccs1	PC-id_90977380	351.854	YLYITEXMSSLISJ-UHFFFAOYSA-N	00100010100010100001110000000000000000000000000000000000	22-01-143178
ClC1C2C(C2)CC(Sc2c([N+](=O)[O-])cccc2)CCC=CCC1	PC-id_85559311	351.891	UNAZQOMDFCUHEG-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-143179
C1C2(I1[I-]2)CCCCN	PC-id_153361980	351.906	OBMDZMWHHXWQKM-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-143180
C1[C@H]2[C@@H]1CN(C2)S(=O)(=O)NC3=C(C(=NC=N3)Cl)Br	PC-id_155172000	351.94	JFGZRMMXRVNEMK-OLQVQODUSA-N	00100010000000100001010000000000000000000000000000000000	22-01-143181
BrC12C(C1)(C2)C(O)(C(O)(C12C(Br)(C1)C2)C)C	PC-id_85728253	352.062	WGCAIKSZSCMBOO-UHFFFAOYSA-N	00101000000000000000010000000000000000000000000000000000	22-01-143182
ClC(c1cc(Cl)c(cc1F)Br)C1C2C1CCCC2	PC-id_105399814	352.069	NHBZUWTYBPWLMX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143183
c1cc(c(c(c1)OC1C(C2(C(O2)C(O1)CO)O)O)C(=O)CC[Al])O	PC-id_163765414	352.074	QCQGAEXVTHFUMP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143184
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BrC(C12COCC1C2)c1cc(c(s1)Br)C	MCULE-5065375090	352.085	RIXNBKLSRQDMNX-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-143191
BrC(C12COCC1C2)c1cc(c(s1)C)Br	MCULE-8506410408	352.085	FCKPTUMKSPMVQA-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-143192
BrC(c1cc(sc1C)Br)C1C2C1COC2	EMOLS-id_107731886	352.085	CLVRXCBBVNHGTO-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-143193
Cc1cc(c(s1)C(C12COCC1C2)Br)Br	MCULE-1411113834	352.085	ZTVXAVSTZJBPKH-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-143194
CC12CC(NC1C2)C(=O)NC3=C(C=CC(=N3)Br)CN(C)C	PC-id_153456778	352.09	ARCRMOQZXZTKST-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-143195
CC1=C(N=C(C=C1)Br)NC(=O)C2CC3(CC3N2)CN(C)C	PC-id_153456792	352.09	WEKPRKTXFJYAKY-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-143196
C1C(C(C(C(C(O1)CO)O)O)O)OC12C(OC(=O)C1(C2O)O)CO	PC-id_163646431	352.101	IIPKZSGAKFCIHR-UHFFFAOYSA-N	00100010000000000100010000000000000000000000000000000000	22-01-143197
CC(C)(C)OC(=O)N[C@@]1([C@H]2[C@H]([C@@H]2C(=O)[O-])C(=O)C1=CN(C)C)C(=O)[O-]	PC-id_152750849	352.128	DFVAORBGQDAAKE-MLQVYSHPSA-L	00100010000000000000010000000000000000000000000000000000	22-01-143198
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Cc1c(c(cc(c1)Br)C(=O)Nc1cc(c2c(c1O)O2)O)O	PC-id_91559716	352.137	UNFQCEUNASLFOG-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-143200
C[C@H]1C(C2C(C2(C(O1)CO)O[C@H]3C(C([C@H](C(O3)CO)O)O)O)O)O	PC-id_147130625	352.137	BQDLDINGUAMJPJ-PEDKSQSESA-N	00100000000010000000010000000000000000000000000000000000	22-01-143201
CNC(=O)C1C2C1CN(C2)SC3=CN=C(C=C3)OC/C(=C/F)/CN	PC-id_153573797	352.137	PTSXRGYYKZSMBG-ONNFQVAWSA-N	00100010000000101000010000000000000000000000000000000000	22-01-143202
BrC1(Br)C2C1CCCCCCCCCCC2	PC-id_85915096	352.148	MPMWOXZGHKCLMB-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-143203
CC(C)[C@@H](C(N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C)O)NC(=O)C(F)(F)F	PC-id_164785138	352.161	YTOZPMQJQWESGE-LJHPZOEFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143204
C1[C@H]2[C@@H]1C(CN[C@@H]2C(=O)OCC3=CC=CC=C3)NOCC4=CC=CC=C4	PC-id_154190454	352.179	YBSQILFZQOTCQD-FBUBALKHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143205
CC(C1=CC=CC=C1)C2=C(C=C(O2)C(=O)NC)C(=O)NC3C4C3CCC4	PC-id_153537916	352.179	HYHFGYORGIWABS-UHFFFAOYSA-N	00100010101010110000010000000000000000000000000000000000	22-01-143206
O=C1N(Cc2ccc(cc2Br)C(=O)O)C(=O)C2C1C2(C)C	PC-id_102766249	352.18	ASAHRGVGTXVCLN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143207
CCCC[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CC[C@@H]4[C@]3(O4)C	PC-id_154080050	352.186	KYAPYVCHOTWQOR-BHIFYINESA-N	00100010000000110000010000000000000000000000000000000000	22-01-143208
CCCC[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CC[C@H]4[C@@]3(O4)C	PC-id_154277252	352.186	KYAPYVCHOTWQOR-FKBYEOEOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143209
C1CC2C(O2)CC1CC3(CCC4C(C3)O4)OC(=O)CCCCC(=O)O	PC-id_154000540	352.189	ZIYLOSZATLDGDI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143210
C1CC2C(O2)CC1C=C(C(CO)(CO)C(=CC3CCC4C(C3)O4)O)O	PC-id_154096680	352.189	IQIVKZZPOIXWBA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143211
C1CC(C2C(C1)O2)C(=O)OCCCCCOC(=O)C3CCCC4C3O4	PC-id_154276153	352.189	VYESOALUQJOTFN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143212
CC(C)(C)C(OC(=O)CC1CCC2C1O2)OC(=O)CC3CCC4C3O4	PC-id_154206019	352.189	OVYUWDJTDNWOOI-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143213
CC(C)(COC(C1CC=C2C(C1)O2)O)COC(=O)C3CCC4C(C3)O4	PC-id_147438415	352.189	DVSSIIIETKQRTN-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-143214
CC(C)(COC(=O)CC1CCC2C1O2)COC(=O)CC3CCC4C3O4	PC-id_154281193	352.189	NJKFGZZZMRLAEC-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143215
CCC(=O)C1=NN(C(=C1)C(=O)NC2[C@H]3[C@@H]2CNC3)[C@@H](C)C4=CC=CC=C4	PC-id_161253244	352.19	VBOARQBQRGWPFF-DURMYVLRSA-N	00100010100000110001010000000000000000000000000000000000	22-01-143216
Clc1c(ccc(c1[N+](=O)[O-])Cl)S(=O)(=O)NC1C2C1CNC2	PC-id_116061901	352.194	QGIAXMBXCRYLLZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143217
CCOC(=O)C1CC2(CC2N1C(=O)O)CNC(=O)CC(C)(C)CC=C	PC-id_152597020	352.2	YWRYXDHGNKDOOF-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143218
CC1=C(C=CN(C1=N)C(=N)C(C)F)C(C2=NC3=C(C3)C=C2)C(C)(C)C=C	PC-id_153536733	352.206	YIDXWNKQGXPCON-UHFFFAOYSA-N	00100000000000101000010000000000000000000000000000000000	22-01-143219
CC(C)NC(CC(=N)c1cc(c(nc1)N)OC(F)F)C1[C@H]2[C@@H]1CCC2	PC-id_163911929	352.207	QSVVXLZDPRGIPO-FFMGESDNSA-N	00100010000010101000010000000000000000000000000000000000	22-01-143220
INC[C@@H]1CC[C@H]2C(N1C(=O)OC(C)(C)C)C2	PC-id_117937779,SCHEMBL16549924	352.212	JHQRVIWUZSVVIL-ZDGBYWQASA-N	00100000000010000000010000000000000000000000000000000000	22-01-143221
Cc1ccc(cc1)C(c1cc(c(cc1)N)[NH+](O)[O-])C12CCCCCC1C2	PC-id_163838064	352.215	OJNHZMTZAKYDLL-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-143222
Brc1ccc(cc1)C(C(=O)O)NC(=O)C1C2C1CCCC2	PC-id_119197919	352.223	COZPXEXOJGRFEH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143223
Brc1ccc(c(c1)C)NC(=O)C1(C(=O)O)C2C1CCCC2	PC-id_89687628,SCHEMBL15107726	352.223	VYPWMDKFTPEVIQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143224
Brc1c(NC(=O)C2C3C2CCC3)ccc(c1)C(=O)OCC	PC-id_81637434	352.223	NTEWTMCOAUCIOI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143225
Brc1c(NC(=O)C2CC3C(C3)C2)ccc(c1)C(=O)OCC	PC-id_80468302	352.223	RYBRVJWSNWRNQD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143226
NC(c1ccc(cc1)Br)C(=O)C1CC2CC2CC1C(=O)O	PC-id_117993714	352.223	RYIVIEYLQHLCMN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143227
O=C(C1C2C1CCC2)NC(c1ccc(cc1)Br)CC(=O)O	PC-id_120192898	352.223	HVUJHMKLLCXPOS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143228
OC(=O)CC(c1cccc(c1)Br)NC(=O)C1C2C1CCC2	EMOLS-id_53648665,MCULE-2142057415,PC-id_120193438	352.223	MDUNVQYKFYIJIR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143229
OC(=O)CN(C(=O)C1C2C1CCC2)Cc1cccc(c1)Br	EMOLS-id_72647287,MCULE-2497410710,PC-id_121969192	352.223	XGVUGSWKINOQLA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143230
Brc1cc(c(NC(=O)C2C3C2CCCC3)cc1)C(=NO)N	PC-id_82698133	352.226	HXMUSDQPZIFHTI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143231
O/N=C(c1ccc(c(c1)Br)NC(=O)C1C2C1CCCC2)/N	PC-id_107790562	352.226	WZAPFVVXYVNMCT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143232
O/N=C(c1ccc(cc1NC(=O)C1C2C1CCCC2)Br)/N	PC-id_107800702	352.226	WQLTXYFIMDSQLL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143233
[P+](=C)(C(OC12C(C1(C)C)C(C(C2C)(C)C)[B])(C)C)C[P+](=C)CC	PC-id_59835360	352.239	GAVXJIFNGFJAJB-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-143234
CCCCC(=O)O[C@H]1N(CC2[C@@H]1C2(Cl)Cl)C(=O)OC(C)(C)C	SCHEMBL8283659,PC-id_70333079	352.253	IGJYGAMIMQIBJI-CLGJWYQZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143235
ClC1(Cl)C2C1CN(C2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	PC-id_76748987	352.253	BCRDCQAHKIZEDF-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143236
ClC1(Cl)C2C1CN(C2OC(=O)CCCC)C(=O)OC(C)(C)C	PC-id_77826709	352.253	IGJYGAMIMQIBJI-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143237
ClC1(Cl)[C@H]2[C@@H]1CN(C2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	PC-id_71210367,SCHEMBL14583034	352.253	BCRDCQAHKIZEDF-XMCUXHSSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143238
ClC1(Cl)[C@H]2[C@@H]1CN([C@@H]2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	SCHEMBL10137647,PC-id_58262637	352.253	BCRDCQAHKIZEDF-GUBZILKMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143239
CC1CC2C(O2)CC1COCCCCCOCC3CC4C(O4)CC3C	PC-id_153777680	352.261	HUJUACHBOFVENS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143240
CCCCC1C(O1)CCCCCCCC(=O)OCC2CCC3C(C2)O3	PC-id_154093440	352.261	ZBZMCNAPCXUFOE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143241
CCOc1ccc(cc1CBr)NC(=O)C1C2C1CCCC2	PC-id_114313588	352.266	YLPFYSKGYWRJKC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143242
FC(c1cc(CC[C@H]2CC3OC3C(=N2)N)cc(c1)C(F)(F)F)(F)F	PC-id_143728822	352.275	QBFQKXOGBXQZJR-UNXYVOJBSA-N	00100000000011110000010000000000000000000000000000000000	22-01-143243
S(=O)(=O)(N1C(C2OC2(C1)C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	PC-id_78094890	352.286	HHWLWBXMABLUJY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143244
S(=O)(=O)(N1[C@H]([C@H]2O[C@]2(C1)C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	PC-id_71517291	352.286	HHWLWBXMABLUJY-MXWKQRLJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143245
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)Sc1n[nH]c(n1)C(F)(F)F	PC-id_90098428	352.29	HHUBIRLCPJRLDB-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-143246
OC(=O)[C@H]1C2C1[C@](C[C@@H]2Sc1n[nH]c(n1)C(F)(F)F)(N)C(=O)O	PC-id_122216819	352.29	HHUBIRLCPJRLDB-KSOIIOKASA-N	00100010100010000001010000000000000000000000000000000000	22-01-143247
OC(=O)[C@H]1[C@H]2[C@@H]1[C@](C[C@H]2Sc1nnc([nH]1)C(F)(F)F)(N)C(=O)O	SCHEMBL14317891,PC-id_71137010,BindingDB_PC-id_71137010	352.29	HHUBIRLCPJRLDB-UESLGPDASA-N	00100010100010000001010000000000000000000000000000000000	22-01-143248
OC(=O)[C@H]1[C@H]2[C@@H]1[C@](C[C@@H]2Sc1n[nH]c(n1)C(F)(F)F)(N)C(=O)O	BindingDB_PC-id_90098428,SCHEMBL15683043	352.29	HHUBIRLCPJRLDB-CWOZVJDESA-N	00100010100010000001010000000000000000000000000000000000	22-01-143249
Brc1c(CC2(CC3C(C3)C2)CNC(C)C)cc(OC)cc1	PC-id_80470731	352.309	DYVAPIMPEOAGAU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143250
Brc1c(CC2(CC3C(C3)C2)CNCCC)cc(OC)cc1	PC-id_80470861	352.309	DERNABNQAJKWSD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143251
Brc1cc(CC2(CC3C(C3)C2)CNC(C)C)ccc1OC	PC-id_80470308	352.309	VVMKQXXKVDJGTJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143252
Brc1cc(CC2(CC3C(C3)C2)CNCCC)ccc1OC	PC-id_80470578	352.309	SAYOBOUWHLVUDE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143253
Brc1cc(CC2(CC3C(C3)C2)CNCCC)c(OC)cc1	PC-id_80470582	352.309	UBWHRCBEWBBHFZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143254
Brc1cc(CC2(CC3C(C3)C2)CNC(C)C)c(OC)cc1	PC-id_80470628	352.309	DQFVJONJOZGQRO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143255
Brc1cc(C(NCC)C2C3C2CCCC3)c(OC)cc1C	PC-id_81630140	352.309	WZABWJNPWWBJMS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143256
Brc1cc(C(NCC)C2C3C2CCCC3)c(OCC)cc1	PC-id_81624517	352.309	DDEKVMWOBBKTOT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143257
Brc1cc(C(NCCC)C2C3C2CCC3)c(OC)cc1C	PC-id_81629569	352.309	YOMYMNUKNOUBGE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143258
Brc1cc(C(NCCC)C2C3C2CCC3)c(OCC)cc1	PC-id_81629578	352.309	VDIKLNVTWBBDDE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143259
Brc1cc(C(NCCC)C2C3C2CCCC3)ccc1OC	PC-id_81624524	352.309	SJAXSROAHZZOEG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143260
Brc1cc(C(NCCC)C2C3C2CCCC3)c(OC)cc1	PC-id_81625123	352.309	HXRPHFNQLNWUPK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143261
Brc1cc(C(NCCC)C2CC3C(C3)C2)c(OC)cc1C	PC-id_80468734	352.309	BOXFGTMGNLXAGM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143262
Brc1cc(C(NCCC)C2CC3C(C3)C2)c(OCC)cc1	PC-id_80466925	352.309	DAIPZBSOKOEMOI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143263
Brc1ccc(OCCC2(CC3C(C3)C2)CNC(C)C)cc1	PC-id_80470307	352.309	WKNMVBNUGINQHV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143264
Brc1ccc(OCCC2(CC3C(C3)C2)CNCCC)cc1	PC-id_80470549	352.309	YHCYARXLPSGQPO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143265
Brc1c(C(NCC)C2C3C2CCCC3)ccc(OCC)c1	PC-id_81628839	352.309	WKFOMOOTXPGJNA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143266
Brc1c(C(NCCC)C2C3C2CCC3)ccc(OCC)c1	PC-id_81628840	352.309	PTUOCEPLNAGWDR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143267
Brc1c(C(NCCC)C2C3C2CCCC3)ccc(OC)c1	PC-id_81629902	352.309	NWZCQWBBNYMLOW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143268
Brc1c(C(NCCC)C2CC3C(C3)C2)ccc(OCC)c1	PC-id_80468764	352.309	VVZGVJCLAGPHPO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143269
Brc1cc(OCCC2(CC3C(C3)C2)CNCCC)ccc1	PC-id_80470354	352.309	PMQQPVURPWXPSQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143270
Brc1cc(OCCC2(CC3C(C3)C2)CNC(C)C)ccc1	PC-id_80470435	352.309	QTXPAJKOIONKOU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143271
CCCNC(C1C2C1CCC2)c1ccc(c(c1)Br)OCC	PC-id_104657716	352.309	COFVVVLBUMTKTQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143272
CCCNC(C1C2C1CCC2)Cc1cc(Br)ccc1OC	PC-id_115816982	352.309	BVTPUOLUGCXPQY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143273
CCCNC(C1C2C1CCC2)Cc1ccc(c(c1)Br)OC	PC-id_115817860	352.309	AVCPFMXUNXVJKV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143274
CCCNC(C1C2C1CCC2)Cc1cc(OC)ccc1Br	PC-id_115862193	352.309	XDGBNFCGOQEWKO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143275
CCCNC(C1CC2C(C1)C2)Cc1cc(Br)ccc1OC	PC-id_115816852	352.309	RCXIIGNJKKYSSL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143276
CCCNC(C1CC2C(C1)C2)Cc1ccc(c(c1)Br)OC	PC-id_115817768	352.309	ZIQAWBNLFVOSPH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143277
CCCNC(C1CC2C(C1)C2)Cc1cc(OC)ccc1Br	PC-id_115862147	352.309	OVIQAUKGQXAQPG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143278
CCCNC(c1ccc(c(c1)Br)OCC)C1CC2C(C1)C2	PC-id_104657705	352.309	OTJMYMKLVCSERP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143279
CCCOc1ccc(cc1Br)C(C1C2C1CCC2)NCC	PC-id_104658046	352.309	PQWNPLPPYGKCCN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143280
CCCOc1ccc(cc1Br)C(C1C2C1CCCC2)NC	PC-id_104658024	352.309	HPSWDVRJOARPAU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143281
CCCOc1ccc(cc1Br)C(C1CC2C(C1)C2)NCC	PC-id_104658035	352.309	QRKPVRGQVSTBKK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143282
CCNC(C1C2C1CCCC2)c1ccc(c(c1)Br)OCC	PC-id_104657694	352.309	ZUXLFOGCIQMQAS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143283
CCNC(C1C2C1CCCC2)Cc1cc(Br)ccc1OC	PC-id_115816822	352.309	BXWQCVHHYRQDID-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143284
CCNC(C1C2C1CCCC2)Cc1ccc(c(c1)Br)OC	PC-id_115817748	352.309	UHQJSABBISRRFV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143285
CCNC(C1C2C1CCCC2)Cc1cc(OC)ccc1Br	PC-id_115862138	352.309	FSIPBVFRCWJAGH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143286
CCNC(c1c(OC)c(C)cc(c1C)Br)C1C2C1CCC2	PC-id_104051951	352.309	RWYLUFLGYACTQC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143287
CCNC(c1c(OC)c(C)cc(c1C)Br)C1CC2C(C1)C2	PC-id_104051924	352.309	PPBHHUZMIQQEGZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143288
CNC(c1c(OC)c(C)cc(c1C)Br)C1C2C1CCCC2	PC-id_104051866	352.309	OOVXXFFRWOUXAL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143289
Brc1c(n(nc1C)CC)CC1(CC2C(C2)C1)CNC1CC1	PC-id_80470489	352.312	RVSUJGRWYUOQNY-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-143290
Brc1c(n(nc1CC)C)CC1(CC2C(C2)C1)CNC1CC1	PC-id_80470832	352.312	ZSCFPANFMJACLW-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-143291
C1C2C(C2CNCc2cc(ccc2)C(C(F)(F)F)C(F)(F)F)CN1	PC-id_87571057,SCHEMBL3765708	352.318	UTRVGJBAXAHLET-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143292
CC(C)(C)OC(=O)N1C2CC2CC1C(=O)NCC(=CC(F)(F)F)F	PC-id_90019639	352.325	HXSHHCOHBUFAKQ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143293
F/C(=C/C(F)(F)F)/CNC(=O)C1CC2C(N1C(=O)OC(C)(C)C)C2	SCHEMBL15541101	352.325	HXSHHCOHBUFAKQ-RMKNXTFCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143294
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[Si](C1=C[C@H]2[C@H](C2)C1=O)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_11164002	352.501	YVEGKPYJPIUMAT-AVRDEDQJSA-N	00100011000000110000010000000000000000000000000000000000	22-01-143544
C1CC(CCC1CCCCCCCCOC(=O)C1CCC2C(C1)O2)O	SCHEMBL14626258,PC-id_89385490	352.508	VUDCYSCXPLMRLD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143545
C1CC(CC(C1)O)CCCCCCCCOC(=O)C1CCC2C(C1)O2	PC-id_89046586,SCHEMBL13264355	352.508	QIFJNWJDTCEPPO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143546
CC12CCC(CC1C2)COCCOCCOCC1CCC2(C(C1)O2)C	PC-id_143209930	352.508	ZGKNPKHSYKPNGK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143547
CC12CCC(CC1O2)CC(CCCCO)(CC1CCC2(C(C1)O2)C)O	PC-id_88708412,SCHEMBL11021714	352.508	OEYVEVRQYMDMFN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143548
CC12CC(CCC1O2)COCCCCCCOC1CCC2C(C1)(O2)C	SCHEMBL13294280,PC-id_89360622	352.508	DBYKNYQDWNOLGL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143549
CC12CCC(CC2O1)COCCCCCOCC1CCC2(C(C1)O2)C	SCHEMBL14409311,PC-id_60147423	352.508	YBTVZIMJQCDOHL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143550
CC12CC(OCCCCCCOCC3CCC4C(C3)(C)O4)CC[C@H]2O1	SCHEMBL14534834	352.508	DBYKNYQDWNOLGL-MTIYKSONSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143551
CCC12CCOC(=O)CCC(C)(C)C(=O)CCC(CCCC1(O2)C)C	PC-id_141105214	352.508	UQVBPFPVXIGBAM-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-143552
CCC1CC(CCCC2(C(O2)CCOC(=O)CCC(C1=O)(C)C)C)C	PC-id_91348911	352.508	UQDLTFSCUHJARK-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-143553
CCCC1CCC(=O)OCCC2C(O2)(CCCC(CC(C1=O)C)C)C	PC-id_91113245	352.508	IYAFQMHAVAQSDW-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-143554
CCCCC1OC1CCC1(CCCCCCCCCC2C1O2)C(=O)O	PC-id_21852545,SCHEMBL1376109	352.508	BKJGHBRYWMVVBF-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-143555
CCCCC1OC1CCOC(=O)C1CCCCCCCCCC2C1O2	PC-id_53846836,SCHEMBL10350289	352.508	GMYJYGATJFKCGU-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-143556
CCCCC(C1CCC2C(C1)O2)(C1CCC(C(C1)O)OC(=O)C)CC	PC-id_87540517,SCHEMBL3551483	352.508	KWQYPCGNENAFLK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143557
CCCCCCOC(=O)C1CC2CC2CC1C(=O)OCCCCCC	PC-id_142713568	352.508	FSVHQYRDDNFDOQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143558
CCCC(C)(OCC1CC2C(O2)CC1C)OCC1CC2C(O2)CC1C	SCHEMBL11129333,PC-id_88728547	352.508	PSNRHDNGXGJLMB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143559
CC(CC(OCC1CCC2C(C1)O2)(C)C)(OCC1CCC2C(C1)O2)C	PC-id_145238125	352.508	AHUDEGPMSIIMQB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143560
CCCOC12CCC(CC1O2)C(C1CCC2(C(C1)O2)OCCC)(C)C	PC-id_141138073	352.508	WYYHFCSICDXABY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143561
CCCOC1CCC(C2C1O2)C(C1CCC(C2C1O2)OCCC)(C)C	PC-id_141629244	352.508	VEVAFCAGZIBKJN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143562
CC(COCC1CCC2(C(C1)O2)C)(COCC1CCC2(C(C1)O2)C)C	PC-id_58785462,SCHEMBL12387022	352.508	NDFHEZQXLNPFTF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143563
CCO/C/1=CCC(C)(C)C(=O)CCC(CCCC2(C(CCO1)O2)C)C	SCHEMBL6012996	352.508	NMCKGLYTRKZQER-YBFXNURJSA-N	00100000000000000110010000000000000000000000000000000000	22-01-143564
CCOC1=CCC(C(=O)CCC(CCCC2(C(O2)CCO1)C)C)(C)C	PC-id_87925851	352.508	NMCKGLYTRKZQER-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-143565
CC(OCCC1CCC2(C(C1)O2)C)COCCC1CCC2(C(C1)O2)C	PC-id_143428407	352.508	WPIUBOXPYRIIDM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143566
O1C2(C1CCC(CCCC(CCC(CC2=O)C(C)C(=O)OC)C)C)C	PC-id_15602597	352.508	OOUZAPOHCYEFJW-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-143567
CCOC(=O)c1ccc(cc1)/C=C(/C=CC12CC2(C)CCCC1(C)C)C	SCHEMBL10914170	352.51	FUVXBSOHMHZVTE-CMRBEPEDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143568
CCOC(=O)c1ccc(cc1)C=C(C=CC12CC2(C)CCCC1(C)C)C	SCHEMBL10914172,PC-id_88690612	352.51	FUVXBSOHMHZVTE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143569
CCOC(=O)c1ccc(/C=C(C)/C=C/C23CC2(C)CCCC3(C)C)cc1	CHEMBL20761,PC-id_13309062	352.51	FUVXBSOHMHZVTE-MZMJAPIQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143570
COc1ccc(cc1)C(=O)C[C@H]1C/C(=C/CC/C(=C/[C@H]2[C@H]1C2(C)C)/C)/C	SCHEMBL19196102	352.51	MVUYOOGUBRTJOT-DYTIIRNLSA-N	00100000000000110110010000000000000000000000000000000000	22-01-143571
CC(COC1CC(C1(C)C)NC1C2C1CN(C2)C(=O)OC(C)(C)C)C	PC-id_113934602	352.511	RGCHIZPBPTVIJV-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-143572
O=C(OC(C)(C)C)NC1CCC(CC1)OCCCNC1CCC2C1C2	PC-id_112740189	352.511	JUGOVGAFCFTQCW-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-143573
CCC(=O)N(c1ccccc1)C1CCN(CC1)CCC1=CCCC2C1C2	PC-id_143969943	352.513	UXSCBABKKYSNGF-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-143574
S(C(=CC1C2C1C(=O)CCC2)Sc1ccccc1)c1ccccc1	PC-id_13998833	352.513	BHRVDXPJBZEXMZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143575
CC(C[C@H]1N2[C@@H]1[C@@H](N[C@@H](C2)CCCN=C(N)N)C(=O)NC(C)(C)C)C	PC-id_101498065	352.518	QLXZPTKERVDFIY-OALMLDFYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-143576
CC(CC(C)(C)CN1C[C@H]2C(C1)C2CNC(=O)C1CCCCCC1)F	SCHEMBL19888384,PC-id_134274242	352.53	GXOHTDJSABARID-USTDVPIWSA-N	00100010000000000100010000000000000000000000000000000000	22-01-143577
COC(=O)CC1=CC[C@@]2([C@H](CC1=O)C2(C)C)O[Si](C(C)(C)C)(C)C	PC-id_102326090	352.54	BLPMQSIJIDAROS-BEFAXECRSA-N	00100000000000000110010000000000000000000000000000000000	22-01-143578
COC(=O)[C@H]1O[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)[C@H]([C@H]2[C@@H]1O2)C	PC-id_102372055	352.54	SFOZVUVKSAVEHX-FPSMNIFISA-N	00100000000010000000010000000000000000000000000000000000	22-01-143579
[Si]([C@]12C(C1C[C@H](OC(=O)C)[C@@H]([C@H]2OC(=O)C)C)(C)C)(CC=C)(C)C	PC-id_10473232	352.54	WDSFFWUXAJZUAJ-LMHKXLNASA-N	00100000000010000000010000000000000000000000000000000000	22-01-143580
[Si](C12C(C1CC(OC(=O)C)C(C2OC(=O)C)C)(C)C)(CC=C)(C)C	PC-id_85152833	352.54	WDSFFWUXAJZUAJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143581
[Si](C(C)C)(C(C)C)(C(C)C)C#CC1OC(C2OC2C1C)C(=O)OC	PC-id_72806751	352.54	SFOZVUVKSAVEHX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143582
[Si](C(C)C)(C(C)C)(C(C)C)C#C[C@@H]1O[C@@H]([C@H]2O[C@H]2[C@H]1C)C(=O)OC	PC-id_11337124	352.54	SFOZVUVKSAVEHX-ATIWLJMLSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143583
[Si](OC12C(C1CC(=O)C(=C(C2)C)C(=O)OC)(C)C)(C(C)(C)C)(C)C	PC-id_75990205	352.54	JZICATSUUGYEAS-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-143584
[Si](O[C@]12C([C@H]1CC(=O)C(=C(C2)C)C(=O)OC)(C)C)(C(C)(C)C)(C)C	PC-id_53248558	352.54	JZICATSUUGYEAS-KUHUBIRLSA-N	00100000000000000110010000000000000000000000000000000000	22-01-143585
CC12C(O1)CCC2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	PC-id_89510183	352.542	HRYZDCXUBCWVHU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143586
CC(C)(CC1CCCC2C1O2)[Si](c1ccccc1)(c1ccccc1)O	PC-id_89737115	352.542	JCVRIDYICVORSQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143587
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC1CCCC2C1O2	SCHEMBL10359560,PC-id_88599691	352.542	BPCDUWUWNOSJAW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143588
CC([Si](c1ccccc1)(c1ccccc1)O)(CC1CCC[C@H]2C1O2)C	SCHEMBL15170844	352.542	JCVRIDYICVORSQ-SGDIKTSBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143589
CC([Si](c1ccccc1)(c1ccccc1)O[C@H]1CCC[C@H]2[C@@H]1O2)(C)C	SCHEMBL10359557	352.542	BPCDUWUWNOSJAW-ACRUOGEOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143590
CC([Si](c1ccccc1)(c1ccccc1)O[C@H]1CCC[C@@H]2[C@H]1O2)(C)C	SCHEMBL10359558	352.542	BPCDUWUWNOSJAW-QHAWAJNXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143591
CC([Si](c1ccccc1)(c1ccccc1)O[C@H]1CC[C@@H]2[C@@]1(C)O2)(C)C	SCHEMBL14874031	352.542	HRYZDCXUBCWVHU-RZUBCFFCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143592
CC([Si](c1ccccc1)(c1ccccc1)O[C@H]1CC[C@H]2[C@]1(C)O2)(C)C	SCHEMBL15191568	352.542	HRYZDCXUBCWVHU-ONTIZHBOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143593
[Si](CCOCC1CC2OC2CC1)(c1ccccc1)(c1ccccc1)C	PC-id_85874482	352.542	SJDAUJVJDGYOFR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143594
[Si](OC12OC1CCCC2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_74832839	352.542	NQLGHPXEBMFSGV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143595
[Si](O[C@@]12O[C@@H]1CCCC2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_42636488	352.542	NQLGHPXEBMFSGV-IFMALSPDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143596
[Si](O[C@H]1[C@H]2O[C@H]2CCC1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11360149	352.542	BPCDUWUWNOSJAW-HBMCJLEFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143597
[Si](O[C@H]1[C@@H]2O[C@@H]2CCC1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11462313	352.542	BPCDUWUWNOSJAW-NJDAHSKKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143598
CCCCCCCCCCCCCCOC(=O)C1CCC2(C(C1)O2)C	SCHEMBL13935415,PC-id_59735574	352.551	XOJQVSSYFABCIP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143599
O1C2C1CCC(C2)C(=O)OCCCCCCCCCCCCCCC	PC-id_71388124	352.551	XLZMDTKHAHQRNK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143600
C=CC12C(C1C/C=CCC/C=CC2(C)C(N)C)CCC/C=C/C1=NCC1	PC-id_117907885,SCHEMBL16512601	352.556	FQBREDBXLPAIEM-ZJUIATFISA-N	00101100000000000110010000000000000000000000000000000000	22-01-143601
CC(C1C=CC(CO[Si](C(C)(C)C)(C)C)CC2C(C(=O)CC1)O2)C	PC-id_20164354,SCHEMBL10753132	352.584	ZQLOQQUALLKYLT-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-143602
CC(C1/C=CC(CO[Si](C(C)(C)C)(C)C)CC2C(C(=O)CC1)O2)C	SCHEMBL10753121	352.584	ZQLOQQUALLKYLT-HJWRWDBZSA-N	00100000000000000110010000000000000000000000000000000000	22-01-143603
O1C2C1CCC(C2)CCC(CC(CCC)(C)C)(CC(OC)(CC)C)C	PC-id_59944626	352.594	OUGXMMCNCYURIT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143604
O(C12C(C1CCC(C2)C)(C)C)C(O)CCCCCCCCCCCC	PC-id_19093283	352.594	IAQHILVYYFYKOP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143605
CC(C(=O)Nc1c(cc(cc1)Oc1c2-c(c2)cc1)Br)Cl	PC-id_88109956	352.61	WURUZXRIXPIYFS-UHFFFAOYSA-N	00110010100000110000010000000000000000000000000000000000	22-01-143606
[Si](O[Si]CCC1CC2OC2CC1)(CCC1CC2OC2CC1)(C)C	PC-id_59253892	352.616	ZMONKLNLJYMUFB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143607
O=C(Nc1nn(cc1Cl)CC(F)(F)F)NC12CC1COC2(C)C	MCULE-6343513339,EMOLS-id_316469118	352.74	JDXGXXZINLRWLR-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-143608
CC12C(C1C(=O)O)C(CC2(C(=O)OCl)N)C(=O)Nc1ccccc1	PC-id_91102142	352.77	CINLBAINVUYKRZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143609
CC12C(C1C(=O)O)C(CC2(C(=O)O)N)C(=O)Nc1cc(ccc1)Cl	SCHEMBL6788637,PC-id_90722468	352.77	UVPYTTPLICTWHZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143610
CC12C(C1C(=O)O)C(CC2(C(=O)O)N)C(=O)Nc1ccccc1Cl	SCHEMBL6795454,PC-id_91154069	352.77	SOBCBHFPOKVYFI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143611
ClC1C2C(C2C(=O)O)(C(N)(C1)C(=O)O)CC(=O)Nc1ccccc1	PC-id_69899493,SCHEMBL6799832	352.77	BPSFKPTXBIVTSW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143612
Clc1ccc(cc1)N(C(=O)CC12C(CCC2C1C(=O)O)C(=O)O)N	PC-id_69895724,SCHEMBL6788641	352.77	KSWVUMADCXSQSB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143613
Clc1cc(NC(=O)CC2C3C(C3C(=O)O)C(N)(C2)C(=O)O)ccc1	PC-id_72646640	352.77	HSMOPFKCBPODDZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143614
Clc1cc(NC(=O)CC2C3C([C@H]3C(=O)O)C(N)(C2)C(=O)O)ccc1	PC-id_60096227	352.77	HSMOPFKCBPODDZ-WOGKUTIGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143615
Clc1c(NC(=O)CC2C3C(C3C(=O)O)C(N)(C2)C(=O)O)cccc1	PC-id_72646629	352.77	OKVCUCKVXPPAHL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143616
Clc1c(NC(=O)CC2C3C([C@H]3C(=O)O)C(N)(C2)C(=O)O)cccc1	PC-id_60096177	352.77	OKVCUCKVXPPAHL-WOGKUTIGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143617
O=C(CC12C(CCC1C2C(=O)O)C(=O)O)Nc1cccc(c1N)Cl	PC-id_140473834	352.77	HHKMFEHMRPGBEW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143618
O=C(Nc1cccc(c1N)Cl)COC(=O)C1CCC2C1C2C(=O)O	PC-id_140473831	352.77	GFNDUICNFWQKDN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143619
O=C(Nc1ccc(cc1N)Cl)COC(=O)C1CCC2C1C2C(=O)O	PC-id_140473838	352.77	NXWWYUMNJQCREV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143620
Clc1cc(N[C@@H]2[C@@H]3[C@H]2CCC3)cc(c1)c1cccc(n1)C(F)(F)F	SCHEMBL19482488	352.781	GUCHQIKCSBHUNZ-HALDLXJZSA-N	00100010000010111000110000000000000000000000000000000000	22-01-143621
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)O)C2)NC/C(=C(c1cccc(c1)Cl)/C)/F	SCHEMBL18549694	352.788	JGRKEUXWTXDLNG-JLIOCUQWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143622
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)O)C2)NCC(=C(c1cccc(c1)Cl)C)F	SCHEMBL18549695	352.788	JGRKEUXWTXDLNG-DFBGVHRSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143623
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O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)O)C2)NCC(=C(c1ccccc1Cl)C)F	SCHEMBL18578102	352.788	ODEOFGKQIMBPAP-KMUNFCNLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143625
COCC(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137399684,SCHEMBL20631345	352.813	MRZNUJSNWCWXGO-CVSAEHQPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143626
CN(C(=O)c1ccc(nn1)Cl)C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_145913043	352.816	OPLCEMBIVHJJGX-HWYHXSKPSA-N	00100010000000100001010000000000000000000000000000000000	22-01-143627
CN(C(=O)c1ccc(nn1)Cl)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	MCULE-6322929794,EMOLS-id_320462623	352.816	OPLCEMBIVHJJGX-IWIIMEHWSA-N	00100010000000100001010000000000000000000000000000000000	22-01-143628
CN(C(=O)c1cnc(nc1)Cl)C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_145915678	352.816	YEVAVNWUNJKMCW-FOSCPWQOSA-N	00100010000000100001010000000000000000000000000000000000	22-01-143629
CN(C(=O)c1cnc(nc1)Cl)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	MCULE-9622740829,EMOLS-id_323901590	352.816	YEVAVNWUNJKMCW-GDNZZTSVSA-N	00100010000000100001010000000000000000000000000000000000	22-01-143630
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CC1C(O1)(C)CCC(C)C(=O)NCC(=O)OCC1CCC2(C(C1)O2)C	SCHEMBL14219866,PC-id_89277274	353.453	LNSCXCBBDDSRHB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-143805
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C1CCC(C1)C(CC#CCN1CC2CC2C1)C(=O)Oc1ccccc1O	PC-id_91123823	353.455	XQMDZIQRXBENBQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143811
C1(C(=O)Nc2cccc(c2)OC(=O)C2C3C2CCCC3)C2C1CCCC2	PC-id_2828226,MCULE-5578165610,EMOLS-id_1184328,BAS-00286083	353.455	SDNLVBMBXWAERR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143812
CCC1(CCCC2(C1(O2)C=CC#Cc1ncc(cc1)C(=O)O)CC)CC	PC-id_88405628	353.455	YZGZTQBVYXMPEO-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-143813
CCC1(CC)CCCC2(C1(/C=C/C#Cc1ccc(cn1)C(=O)O)O2)CC	SCHEMBL9053109	353.455	YZGZTQBVYXMPEO-OVCLIPMQSA-N	00100000000010101000010000000000000000000000000000000000	22-01-143814
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COc1ccc(cc1OC)CCN1C(=O)C2C(/C/1=C/C1=CCCCC1)C2	PC-id_102447646	353.455	FMNPOUKHAHJQIU-UNOMPAQXSA-N	00100010000011110000010000000000000000000000000000000000	22-01-143816
COC1(C)CC=C(C=C1)C(N1CC2C(C1=O)C2(C)C)c1ccc(cc1)O	PC-id_144483706	353.455	KQZXOPNMABVSLS-UHFFFAOYSA-N	00100010000011110000010000000000000000000000000000000000	22-01-143817
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O[C@](C1CCCC1)(c1ccccc1)C(=O)OCC#CCN1CC2C(C2)C1	PC-id_57440421,SCHEMBL509221	353.455	PRTRYQFFLDMTMW-IRZJEQJZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143819
O[C@](C1CCCC1)(c1ccccc1)C(=O)OCC#CCN1C[C@@H]2[C@@H](C2)C1	PC-id_11681885	353.455	PRTRYQFFLDMTMW-SVMVAKDDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143820
O=C(C1[C@@H]2[C@H]1CCCC2)Nc1cccc(c1)OC(=O)C1[C@H]2[C@H]1CCCC2	PC-id_100824473	353.455	SDNLVBMBXWAERR-DZGDQSPQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143821
O=C(C1[C@H]2[C@H]1CCCC2)Nc1cccc(c1)OC(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_100874832	353.455	SDNLVBMBXWAERR-DZJUANEXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143822
O=C(C(c1ccccc1O)C1CCCC1)OCC#CCN1C[C@@H]2[C@H](C1)C2	PC-id_69121037,SCHEMBL4632879	353.455	KRKIUYLPQVACCX-HTZLVSCSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143823
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)Nc1cccc(c1)OC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_29821	353.455	SDNLVBMBXWAERR-XETNVZRVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143824
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Nc1cccc(c1)OC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2	CoCoCo_29822	353.455	SDNLVBMBXWAERR-YUNYCSSDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143825
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Nc1cccc(c1)OC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_29823	353.455	SDNLVBMBXWAERR-YFWYZSEYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143826
O=C(Nc1cccc(OC(=O)C2[C@H]3CCCC[C@H]23)c1)C1[C@H]2CCCC[C@H]12	ZINC22_100290424	353.455	SDNLVBMBXWAERR-XSLAGTTESA-N	00100000000010110000010000000000000000000000000000000000	22-01-143827
O=C(Nc1cccc(OC(=O)C2[C@H]3CCCC[C@@H]23)c1)C1[C@H]2CCCC[C@H]12	ZINC22_100290428,PC-id_98091243	353.455	SDNLVBMBXWAERR-YLQJXANPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143828
O=C(Nc1cccc(OC(=O)C2[C@@H]3CCCC[C@@H]23)c1)C1[C@H]2CCCC[C@H]12	ZINC22_100290429,PC-id_98091244	353.455	SDNLVBMBXWAERR-WNRNVDISSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143829
O=C(Nc1cccc(OC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c1)C1[C@@H]2CCCC[C@@H]12	ZINC22_245380144	353.455	SDNLVBMBXWAERR-KLBVCGFUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143830
O=C(Nc1cccc(OC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c1)C1[C@H]2CCCC[C@H]12	ZINC22_245380145	353.455	SDNLVBMBXWAERR-KVIJGQROSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143831
O=C(Nc1cccc(OC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c1)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_245380143,CoCoCo_29820	353.455	SDNLVBMBXWAERR-BVFILSHUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143832
O=C(Oc1cccc(NC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c1)C1[C@@H]2CCCC[C@@H]12	ZINC22_245380146	353.455	SDNLVBMBXWAERR-ZRSRNVLSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143833
O(C(=O)C1[C@H]2[C@@H]1CCCC2)c1cc(NC(=O)C2[C@H]3[C@@H]2CCCC3)ccc1	PC-id_1145274	353.455	SDNLVBMBXWAERR-ZNXRSXASSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143834
OC(=O)[C@@](c1ccccc1O)(C1CCCC1)CC#CCN1C[C@@H]2[C@H](C1)C2	SCHEMBL4632843	353.455	NHIPSVYMBKFGJJ-HYFFOGBASA-N	00100010000000110000010000000000000000000000000000000000	22-01-143835
OC(=O)[C@](c1ccccc1O)(C1CCCC1)CC#CCN1C[C@@H]2[C@H](C1)C2	SCHEMBL4633670	353.455	NHIPSVYMBKFGJJ-JKSBSHDWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143836
O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCC1	BindingDB_PC-id_9998202,SCHEMBL509220,PC-id_9998202,CHEMBL192485	353.455	PRTRYQFFLDMTMW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-143837
COC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C	SCHEMBL13302204,PC-id_59364986	353.456	GDPFLKLIWOYXTJ-ZDEQEGDKSA-N	00100010000000000000010000000000000000000000000000000000	22-01-143838
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CC1C(CC2C1(C2O)C)Nc1nc(nc(c1C(=S)N)C)NCCF	PC-id_91518708	353.458	ZBGVVDYKKMQAQK-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-143840
Cc1cc(C(=O)N2C[C@H]3C(CN(C)CCc4ccccn4)[C@H]3C2)c(C)o1	CHEMBL4553103,PC-id_56906058	353.458	ZGPVOWVCJTTXJF-IHWFROFDSA-N	00100010101000101000010000000000000000000000000000000000	22-01-143841
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Cc1cc(C)nc(n2cc(C(=O)N3C[C@H]4[C@H](C3)C4(C)C)c(C(C)C)n2)n1	ZINC22_408246074	353.461	YWTLYUBKBMIZMU-HOTGVXAUSA-N	00100010100000100001110000000000000000000000000000000000	22-01-143846
Cc1cc(C)nc(n2cc(C(=O)N3C[C@@H]4[C@@H](C3)C4(C)C)c(C(C)C)n2)n1	ZINC22_408246075	353.461	YWTLYUBKBMIZMU-HZPDHXFCSA-N	00100010100000100001110000000000000000000000000000000000	22-01-143847
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CCP(=C)CP(=C)C(CC12C(C)C(C(C1C2(C)C)B)(C)C)(C)C	SCHEMBL12300225	354.298	YLGZPHFPCCYWFR-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-143971
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C1C(C2C(O2)C(O1)O)(OCc1ccccc1)S(=O)(=O)C(F)(F)F	PC-id_88599664	354.299	BTRUMNSQRBRNKG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143973
FC(S(=O)(=O)O[C@@H]1[C@@H](OCc2ccccc2)OC[C@H]2[C@@H]1O2)(F)F	PC-id_101223204	354.299	JXDDZIZGNYWSQV-BJDJZHNGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143974
O[C@H]1OC[C@@]([C@H]2[C@@H]1O2)(OCc1ccccc1)S(=O)(=O)C(F)(F)F	SCHEMBL10359373	354.299	BTRUMNSQRBRNKG-WHOHXGKFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143975
O[C@H]1OC[C@@]([C@@H]2[C@H]1O2)(OCc1ccccc1)S(=O)(=O)C(F)(F)F	SCHEMBL10822124	354.299	BTRUMNSQRBRNKG-NOOOWODRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143976
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O=S(=O)(C(F)(F)F)O[C@H]1COC([C@H]2[C@@H]1O2)OCc1ccccc1	PC-id_102438746	354.299	LOGQNDXALRRQTN-YZTHKRDXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143978
CCCNC(C1C2C1CCCC2)Cc1cc(Br)ccc1F	PC-id_115839212	354.3	VSLVBVHZDZIQLY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144001
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S(=O)(=O)(OC1C2OC2C(OC1)OCc1ccccc1)C(F)(F)F	PC-id_12775415	354.299	LOGQNDXALRRQTN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143980
S(=O)(=O)(O[C@H]1[C@@H]2O[C@H]2[C@H](OC1)OCc1ccccc1)C(F)(F)F	PC-id_12775416	354.299	LOGQNDXALRRQTN-KXNHARMFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143981
S(=O)(=O)(O[C@H]1[C@H]2O[C@@H]2[C@H](OC1)OCc1ccccc1)C(F)(F)F	PC-id_12775417	354.299	LOGQNDXALRRQTN-WYUUTHIRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143982
S(=O)(=O)(O[C@@H]1[C@H]2O[C@@H]2[C@H](OC1)OCc1ccccc1)C(F)(F)F	PC-id_12775418	354.299	LOGQNDXALRRQTN-USZNOCQGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143983
S(=O)(=O)(O[C@H]1[C@H]2O[C@H]2[C@H](OC1)OCc1ccccc1)C(F)(F)F	PC-id_156162	354.299	LOGQNDXALRRQTN-KKOKHZNYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143984
S(=O)(=O)(O[C@@H]1[C@@H]2O[C@@H]2[C@H](OC1)OCc1ccccc1)C(F)(F)F	PC-id_156163	354.299	LOGQNDXALRRQTN-BJDJZHNGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143985
S(=O)(=O)(O[C@H]1[C@@H]2O[C@@H]2[C@H](OC1)OCc1ccccc1)C(F)(F)F	PC-id_156164	354.299	LOGQNDXALRRQTN-RHYQMDGZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-143986
Brc1c(CC2(CC3C(C3)C2)CNC(C)(C)C)cccc1F	PC-id_81501269	354.3	ZSVPBDZZKVXBOI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143987
Brc1c(CC2(CC3C(C3)C2)CNCC(C)C)cccc1F	PC-id_81501504	354.3	OBENKBZKDLXWRO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143988
Brc1c(CC2(CC3C(C3)C2)CNC(C)(C)C)ccc(F)c1	PC-id_80472022	354.3	IDHAHYJRPDNTGX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143989
Brc1c(CC2(CC3C(C3)C2)CNCC(C)C)ccc(F)c1	PC-id_80472154	354.3	OMAWLXVNPBRPLF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143990
Brc1c(CC2(CC3C(C3)C2)CNC(C)(C)C)cc(F)cc1	PC-id_80472021	354.3	YHBGHRMHRYQPMV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143991
Brc1c(CC2(CC3C(C3)C2)CNCC(C)C)cc(F)cc1	PC-id_80472153	354.3	RGERXCQJFBFYRP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143992
Brc1cc(CC2(CC3C(C3)C2)CNC(C)(C)C)ccc1F	PC-id_80470454	354.3	YEUXQYMPTOGTNV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143993
Brc1cc(CC2(CC3C(C3)C2)CNCC(C)C)ccc1F	PC-id_80471956	354.3	POJBDAFFOOWTPS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143994
Brc1cc(CC2(CC3C(C3)C2)CNC(C)(C)C)cc(F)c1	PC-id_80470563	354.3	IWVHRLKGUSJVKJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143995
Brc1cc(CC2(CC3C(C3)C2)CNCC(C)C)cc(F)c1	PC-id_80471960	354.3	ZZIKUAOJTCIGJL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143996
Brc1cc(CC2(CC3C(C3)C2)CNCC(C)C)c(F)cc1	PC-id_80471852	354.3	SCCUBBVWAYBUPG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143997
Brc1cc(CC2(CC3C(C3)C2)CNC(C)(C)C)c(F)cc1	PC-id_80472199	354.3	UZYUIQMVVHNJRJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143998
Brc1cc(F)c(CC2(CC3C(C3)C2)CNC(C)(C)C)cc1	PC-id_80470568	354.3	OYHYKBVGHNNLBL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-143999
Brc1cc(F)c(CC2(CC3C(C3)C2)CNCC(C)C)cc1	PC-id_80472107	354.3	JKYUSCFQTIHWGU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144000
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CCCNC(C1C2C1CCCC2)Cc1ccc(c(c1)Br)F	PC-id_115818472	354.3	DOACEIRROCWQDU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144003
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CCCNC(C1C2C1CCCC2)Cc1ccc(cc1F)Br	PC-id_115844487	354.3	OHYMYAPGRZLNDX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144005
CCCNC(C1C2C1CCCC2)Cc1cc(F)cc(c1)Br	PC-id_105015488	354.3	UDESZCJGJMNLRD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144006
CCCNC(C1C2C1CCCC2)Cc1cc(F)ccc1Br	PC-id_115843583	354.3	ZNDBFSSICGZJNW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144007
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COc1ccc(C(=O)C2=NON3O[C@]23C(=O)c2ccc(OC)cc2)cc1	PC-id_92148672,NSC14040,CoCoCo_5305287,ZINC22_1592116	354.314	FVQGMXXUZFHDKN-LROBGIAVSA-N	00100011000000110001010000000000000000000000000000000000	22-01-144020
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[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cnc(nc1)c1ccccn1	ZINC22_1704353033,PC-id_135087377,MCULE-4254439466,EMOLS-id_317368823	354.317	JAELHBOAZLAXMS-CALCHBBNSA-N	00100010000000101001110000000000000000000000000000000000	22-01-144023
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Brc1c(n(nc1C)C)CC1(CC2C(C2)C1)CNCC(C)C	PC-id_80472151	354.328	PUEANQJRSKVVEJ-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-144030
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CCCNC(C1C2C1CCCC2)Cc1n(C)nc(c1Br)C	PC-id_105000258	354.328	VKWRLCOYPYDPJM-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-144038
CCCNC(c1c(Br)cnn1CCC)C1C2C1CCCC2	PC-id_105041238	354.328	POYAIIOZJOKSGW-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-144039
CCCNC(c1c(Br)cnn1C(C)C)C1C2C1CCCC2	PC-id_105042079	354.328	SVBUKYDCCLXHRO-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-144040
CCCNC(C1CC2C(C1)C2)Cc1n(CC)nc(c1Br)C	PC-id_104998050	354.328	KANLZHBJVGDNOD-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-144041
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CCn1nc(c(c1CC(C1C2C1CCCC2)NC)Br)CC	PC-id_105002348	354.328	ZIXSXASYCGBIRD-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-144043
CCNC(C1C2C1CCC2)Cc1n(CC)nc(c1Br)CC	PC-id_105002435	354.328	QRJLHHYEXHWNFV-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-144044
CCNC(C1C2C1CCCC2)Cc1n(CC)nc(c1Br)C	PC-id_104998041	354.328	LKTWQZADXUXWNI-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-144045
CCNC(C1C2C1CCCC2)Cc1n(C)nc(c1Br)CC	PC-id_104994417	354.328	CYYPNVMSEFIGQJ-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-144046
CCNC(C1CC2C(C1)C2)Cc1n(CC)nc(c1Br)CC	PC-id_105002351	354.328	HEQVGWVFAFKARX-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-144047
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OC1CCCC(C1)C(=O)OCCCOC(=O)C1CCCC2C(CC1)O2	PC-id_118219406,SCHEMBL16888869	354.438	HEXARBOIKIKTFX-UHFFFAOYSA-N	00100000000010000100010000000000000000000000000000000000	22-01-144143
O=C1CCC(C)(C)C(=O)CC(O)CCCCC2C(CC(O1)C(=O)C)O2	SCHEMBL18758247	354.438	REMGFXAGVQFERT-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-144144
OC(C1CCC2C(C1)O2)OCC(COC(=O)C1CCC2C(C1)O2)(C)C	PC-id_143507693	354.438	YNSDQYDFAMUJGV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144145
O=C(C1CCC(C(C1)O)(C)C)OCCOC(=O)C1CCC2(C(C1)O2)C	PC-id_143570175	354.438	WZOBQDJLTVPXSH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144146
O[C@@H]1CCCC(C1)C(=O)OCC(COC(=O)C1CCC2C(C1)O2)(C)C	SCHEMBL13954447	354.438	ARWBADZEOFABFR-GMOYYMRRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144147
O[C@@H]1CCC(C(C1)C(=O)OC(OC(=O)C1CC2OC2(CC1C)C)C)C	SCHEMBL13954434	354.438	VSUGTRZTJJADEZ-BNVPTFTLSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144148
C1(C(=O)Oc2ccccc2OC(=O)C2C3C2CCCC3)C2C1CCCC2	CK1378375,MCULE-6406812313,BAS-00286092,PC-id_3097438,EMOLS-id_1184336	354.439	MKXWCSWNXSFVPC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144149
C1(C(=O)Oc2ccc(cc2)OC(=O)C2C3C2CCCC3)C2C1CCCC2	PC-id_2828231,CK1667475,MCULE-4858269247,EMOLS-id_2329723,TIMTEC346288	354.439	NXYUXWLWWNZYRE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144150
CC1COC(C2CC2(C1OCc1ccccc1)OCc1ccccc1)O	PC-id_91425881	354.439	PXLCKCYMBJPFPA-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-144151
O=C(C1[C@@H]2[C@H]1CCCC2)Oc1ccc(cc1)OC(=O)C1[C@H]2[C@H]1CCCC2	PC-id_99734169	354.439	NXYUXWLWWNZYRE-DZJUANEXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144152
O=C(C1[C@@H]2[C@H]1CCCC2)Oc1ccccc1OC(=O)C1[C@H]2[C@H]1CCCC2	PC-id_99734177	354.439	MKXWCSWNXSFVPC-NIZJHMSESA-N	00100000000010110000010000000000000000000000000000000000	22-01-144153
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)Oc1ccc(cc1)OC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_1898214	354.439	NXYUXWLWWNZYRE-YUNYCSSDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144154
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Oc1ccc(cc1)OC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_1898215	354.439	NXYUXWLWWNZYRE-YFWYZSEYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144155
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)Oc1ccccc1OC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_29838	354.439	MKXWCSWNXSFVPC-KZVWXAQQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144156
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Oc1ccccc1OC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_29839	354.439	MKXWCSWNXSFVPC-IQDINYLSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144157
O=C(Oc1ccccc1OC(=O)C1[C@H]2CCCC[C@H]12)C1[C@H]2CCCC[C@H]12	PC-id_98056145,ZINC22_100101725	354.439	MKXWCSWNXSFVPC-VGWMRTNUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144158
O=C(Oc1ccccc1OC(=O)C1[C@H]2CCCC[C@@H]12)C1[C@H]2CCCC[C@H]12	ZINC22_100101727,PC-id_98056146	354.439	MKXWCSWNXSFVPC-IPGUZUCZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144159
O=C(Oc1ccccc1OC(=O)C1[C@@H]2CCCC[C@@H]12)C1[C@H]2CCCC[C@H]12	ZINC22_100101730	354.439	MKXWCSWNXSFVPC-RUPPMWDTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144160
O=C(Oc1ccccc1OC(=O)C1[C@@H]2CCCC[C@@H]12)C1[C@@H]2CCCC[C@@H]12	ZINC22_229936749,PC-id_100874838	354.439	MKXWCSWNXSFVPC-KLHDSHLOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144161
O=C(Oc1ccccc1OC(=O)[C@@H]1[C@H]2CCCC[C@@H]12)C1[C@H]2CCCC[C@H]12	ZINC22_239347212	354.439	MKXWCSWNXSFVPC-WLBVRSFFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144162
O=C(Oc1ccccc1OC(=O)[C@@H]1[C@H]2CCCC[C@@H]12)C1[C@@H]2CCCC[C@@H]12	ZINC22_239347213	354.439	MKXWCSWNXSFVPC-XNXCIOHSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144163
O=C(Oc1ccccc1OC(=O)[C@@H]1[C@H]2CCCC[C@@H]12)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_239347211,CoCoCo_29837	354.439	MKXWCSWNXSFVPC-WGVHXZFPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144164
O=C(Oc1ccc(OC(=O)C2[C@@H]3CCCC[C@@H]23)cc1)C1[C@@H]2CCCC[C@@H]12	PC-id_100866494,ZINC22_229889341	354.439	NXYUXWLWWNZYRE-BRSBDYLESA-N	00100000000010110000010000000000000000000000000000000000	22-01-144165
O=C(Oc1ccc(OC(=O)C2[C@H]3CCCC[C@H]23)cc1)C1[C@H]2CCCC[C@H]12	ZINC22_100026606	354.439	NXYUXWLWWNZYRE-XSLAGTTESA-N	00100000000010110000010000000000000000000000000000000000	22-01-144166
O=C(Oc1ccc(OC(=O)C2[C@H]3CCCC[C@@H]23)cc1)C1[C@H]2CCCC[C@H]12	ZINC22_100026609,PC-id_98044882	354.439	NXYUXWLWWNZYRE-YLQJXANPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144167
O=C(Oc1ccc(OC(=O)C2[C@@H]3CCCC[C@@H]23)cc1)C1[C@H]2CCCC[C@H]12	ZINC22_100026612	354.439	NXYUXWLWWNZYRE-BALXVJCKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144168
O=C(Oc1ccc(OC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)cc1)C1[C@@H]2CCCC[C@@H]12	ZINC22_245296676	354.439	NXYUXWLWWNZYRE-KLBVCGFUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144169
O=C(Oc1ccc(OC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)cc1)C1[C@H]2CCCC[C@H]12	ZINC22_245296677	354.439	NXYUXWLWWNZYRE-KVIJGQROSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144170
O=C(Oc1ccc(OC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)cc1)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_245296675,CoCoCo_1898213	354.439	NXYUXWLWWNZYRE-BVFILSHUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144171
O(C(=O)C1[C@@H]2[C@H]1CCCC2)c1ccc(OC(=O)C2[C@@H]3[C@H]2CCCC3)cc1	PC-id_1102447	354.439	NXYUXWLWWNZYRE-ZNXRSXASSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144172
O(C(=O)C1[C@@H]2[C@H]1CCCC2)c1c(OC(=O)C2[C@H]3[C@@H]2CCCC3)cccc1	PC-id_1145277	354.439	MKXWCSWNXSFVPC-QLTQBXOZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144173
CC(CS(=O)(=O)N1CC2C(C1)(C2)C(=O)Nc1ccc(c(c1)C)F)C	SCHEMBL16160981,PC-id_117640574	354.44	VCXUOFXHKJHDKK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144174
CC(CS(=O)(=O)N1C[C@@H]2[C@](C1)(C2)C(=O)Nc1ccc(c(c1)C)F)C	PC-id_118877234,SCHEMBL17511353	354.44	VCXUOFXHKJHDKK-CXAGYDPISA-N	00100010000000110000010000000000000000000000000000000000	22-01-144175
Cc1ccc(cc1NC(=O)C1C2CC/C=C/CC/C=CCCC12)[N+](=O)[O-]	EMOLS-id_1189625,BAS-00313291	354.443	IFULABUKMOHPKA-XGXWUAJZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144176
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_100506138	354.443	IFULABUKMOHPKA-HZKJCBRUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144177
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_13477886	354.443	IFULABUKMOHPKA-NWVGPWBMSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144178
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@H]2CCC=CCCC=CCC[C@H]12	ZINC22_1559649170,PC-id_5438353	354.443	IFULABUKMOHPKA-IJXZTRCJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144179
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@@H]2CCC=CCCC=CCC[C@@H]12	ZINC22_1559649171,PC-id_5438355	354.443	IFULABUKMOHPKA-KUBVQFIISA-N	00100000000000110110010000000000000000000000000000000000	22-01-144180
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@H]2CC/C=C/CC/C=CCC[C@@H]12	ZINC22_4595382	354.443	IFULABUKMOHPKA-FISOCWQOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144181
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@H]2CC/C=CCC/C=C/CC[C@H]12	ZINC22_5342659	354.443	IFULABUKMOHPKA-JLHWHSNBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144182
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2CCC=CCCC=CCC[C@@H]12	ZINC22_1559649172	354.443	IFULABUKMOHPKA-RUYXUALKSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144183
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_245377170	354.443	IFULABUKMOHPKA-GNLFOESASA-N	00100000000000110110010000000000000000000000000000000000	22-01-144184
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@H]12	ZINC22_245377171	354.443	IFULABUKMOHPKA-IIDJGBPPSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144185
CCCCCCOC(=O)C12CCCCC1(O2)C(=O)OCCCCCC	PC-id_101310474	354.481	SZBNEQCTCPJZHS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144267
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@H]2CC/C=C/CC/C=CCC[C@@H]12	ZINC22_245377172	354.443	IFULABUKMOHPKA-NMVHJFFOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144186
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_245377173	354.443	IFULABUKMOHPKA-OGMFNLCPSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144187
Cc1ccc(OCc2occc2C(=O)N2C[C@H]3C(CN(C)C)[C@H]3C2)cc1	CHEMBL4556187,PC-id_56898070	354.443	UZBCLIAVUDGKQX-YQQQUEKLSA-N	00100010101000110000010000000000000000000000000000000000	22-01-144188
Cc1ccc(OCc2occc2C(=O)N2C[C@H]3[C@H](CN(C)C)[C@H]3C2)cc1	EMOLS-id_43122759,MCULE-9232238493,ZINC22_102461070	354.443	UZBCLIAVUDGKQX-LDLYASANSA-N	00100010101000110000010000000000000000000000000000000000	22-01-144189
CC[C@]1(c2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)CCC(=O)NC1=O	PC-id_100908039,ZINC22_230221115	354.443	UIVMFDHOJIMPCE-WHSLLNHNSA-N	00100000000010110000110000000000000000000000000000000000	22-01-144190
CC[C@]1(c2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)cc2)CCC(=O)NC1=O	ZINC22_245497526	354.443	UIVMFDHOJIMPCE-JIYIMXKPSA-N	00100000000010110000110000000000000000000000000000000000	22-01-144191
CC[C@@]1(c2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)cc2)CCC(=O)NC1=O	ZINC22_245497527	354.443	UIVMFDHOJIMPCE-LZKITUNOSA-N	00100000000010110000110000000000000000000000000000000000	22-01-144192
CCC1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)C1C2C1CCCC2	PC-id_102558695,EMOLS-id_50329704,MCULE-9409347299	354.443	UIVMFDHOJIMPCE-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-144193
CC[C@@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_96567516	354.443	UIVMFDHOJIMPCE-OTNVPEFLSA-N	00100000000010110000110000000000000000000000000000000000	22-01-144194
CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_96567517	354.443	UIVMFDHOJIMPCE-MZLKETMYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-144195
CC[C@@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)C1[C@@H]2[C@@H]1CCCC2	PC-id_99813110	354.443	UIVMFDHOJIMPCE-CKJXQJPGSA-N	00100000000010110000110000000000000000000000000000000000	22-01-144196
NCC(=O)C1(C#N)C(CC2C1C2(CC)C(=O)O)Cc1ccc(cc1C)C	PC-id_67685309,SCHEMBL8764447	354.443	HAWXODSHHMJFTF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144197
NCC(=O)C1(C#N)C(CC2C1C2(CC)C(=O)O)Cc1cc(C)ccc1C	PC-id_67718376,SCHEMBL8891969	354.443	IALBUHITMMEKFY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144198
NCC(=O)C1(C#N)C(CC2C1(CC)C2C(=O)O)Cc1ccc(cc1C)C	SCHEMBL8762666,PC-id_67684893	354.443	GYHNBQFAOOFAIL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144199
NCC(=O)C1(C#N)C(CC2C1(CC)C2C(=O)O)Cc1cc(C)ccc1C	SCHEMBL8764046,PC-id_67685222	354.443	IQTSDRRPIFGDCW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144200
NCC(=O)C1(C#N)C(Cc2cc(C)cc(c2)C)CC2C1C2(CC)C(=O)O	SCHEMBL8891106,PC-id_67718156	354.443	CWNCDBLFPXDRAS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144201
NCC(=O)C1(C#N)C(Cc2cc(C)cc(c2)C)CC2C1(CC)C2C(=O)O	SCHEMBL8764432,PC-id_67685305	354.443	FXJRFPUHNRFHLD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144202
O=C(N1CC2C(C2CN(C)C)C1)c1c(occ1)COc1ccc(cc1)C	PC-id_76426810	354.443	UZBCLIAVUDGKQX-UHFFFAOYSA-N	00100010101000110000010000000000000000000000000000000000	22-01-144203
O=C(Nc1c(ccc([N+](=O)[O-])c1)C)C1C2C1CCC=CCCC=CCC2	PC-id_3098835	354.443	IFULABUKMOHPKA-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144204
O=C(Nc1c(ccc([N+](=O)[O-])c1)C)C1C2C1CC/C=C/CCC=CCC2	PC-id_5752710	354.443	IFULABUKMOHPKA-NNUXYFOWSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144205
O=C(Nc1c(ccc([N+](=O)[O-])c1)C)C1[C@H]2[C@H]1CC/C=C/CCC=CCC2	PC-id_11860982	354.443	IFULABUKMOHPKA-CBZPEHBNSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144206
O=C(Nc1c(ccc([N+](=O)[O-])c1)C)C1[C@H]2[C@@H]1CCC=CCCC=CCC2	PC-id_5438354	354.443	IFULABUKMOHPKA-UFRUDQCGSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144207
O=C(Nc1c(ccc([N+](=O)[O-])c1)C)C1[C@@H]2[C@@H]1CC/C=C/CCC=CCC2	PC-id_7298996	354.443	IFULABUKMOHPKA-WAGVAGNASA-N	00100000000000110110010000000000000000000000000000000000	22-01-144208
O=C(Nc1c(ccc([N+](=O)[O-])c1)C)C1[C@H]2[C@@H]1CC/C=C/CCC=CCC2	PC-id_7640169	354.443	IFULABUKMOHPKA-DELXMHSSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144209
CN1C[C@@H]2C[C@@]2(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O	PC-id_100783323,ZINC22_225947850	354.444	KPKGGLGYPLCSKE-ZUZCIYMTSA-N	00101010000000110001010000000000000000000000000000000000	22-01-144210
CN1C[C@H]2C[C@]2(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O	ZINC22_260832572	354.444	KPKGGLGYPLCSKE-BMIGLBTASA-N	00101010000000110001010000000000000000000000000000000000	22-01-144211
CN1C[C@@H]2C[C@]2(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O	ZINC22_260832575	354.444	KPKGGLGYPLCSKE-BONVTDFDSA-N	00101010000000110001010000000000000000000000000000000000	22-01-144212
CN1C[C@H]2C[C@@]2(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O	ZINC22_260832578	354.444	KPKGGLGYPLCSKE-MEBBXXQBSA-N	00101010000000110001010000000000000000000000000000000000	22-01-144213
NNC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C2	PC-id_118951821,SCHEMBL17598275	354.444	SVOHFZSRUPANGJ-FIQHERPVSA-N	00100010000000000000010000000000000000000000000000000000	22-01-144214
CC(c1c(cnn1c1ccccc1)NC(=O)NC12CC1COC2(C)C)C	EMOLS-id_177292543,MCULE-4634094183	354.446	ZOMSRXBONIGGDH-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144215
CCc1noc(n1)CCCC(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-2176453674,EMOLS-id_320150266	354.446	XJNONQDPHMLKHV-IGOJGBNBSA-N	00100010100000110001010000000000000000000000000000000000	22-01-144216
CC(c1noc(n1)CCC(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)C	EMOLS-id_319609878	354.446	BDYJQEGWRSHGQP-MNZLEMJZSA-N	00100010100000110001010000000000000000000000000000000000	22-01-144217
CC(C)c1c(NC(=O)N[C@]23C[C@@H]2COC3(C)C)cnn1c1ccccc1	ZINC22_529084309	354.446	ZOMSRXBONIGGDH-JLTOFOAXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144218
CC(C)c1c(NC(=O)N[C@]23C[C@H]2COC3(C)C)cnn1c1ccccc1	ZINC22_529084310	354.446	ZOMSRXBONIGGDH-VBKZILBWSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144219
CC(C)c1c(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)cnn1c1ccccc1	ZINC22_529084311	354.446	ZOMSRXBONIGGDH-VLIAUNLRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144220
CC(C)c1c(NC(=O)N[C@@]23C[C@H]2COC3(C)C)cnn1c1ccccc1	ZINC22_529084312	354.446	ZOMSRXBONIGGDH-XOBRGWDASA-N	00100010100000110001110000000000000000000000000000000000	22-01-144221
C[C@@H](NC(=O)c1ccc(cc1)c1noc(n1)C)CN1CC2C(C1)C2(C)C	PC-id_122675726,SCHEMBL18212503	354.446	OOAGEFYNTOZTDE-AXOLYNHLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144222
CCN(Cc1noc(C)n1)C[C@H]1[C@@H]2CN(C(=O)c3ccccc3C)C[C@H]12	ZINC22_102324026,MCULE-2638812317,EMOLS-id_43104111	354.446	UXLVVOHCANCLRG-NNZMDNLPSA-N	00100010100000110001010000000000000000000000000000000000	22-01-144223
CCOc1c(ccc(c1)OCCC1CC2C(N2C1)N)c1nc(ccc1)N	PC-id_88031078,SCHEMBL6701913	354.446	JKNQQXXHLIXCSB-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-144224
CCOc1cc(OCCN2CC3C(C2)C3N)ccc1c1cccc(n1)N	PC-id_66625067,SCHEMBL222427	354.446	ZCDSKKMKDDRTCH-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-144225
CCOc1cc(OCCNC2C3C2CNC3)ccc1c1cccc(n1)N	PC-id_143288375	354.446	IETBKVJOOWNVIA-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-144226
CC(=O)NC1C2C1CN(C2)C(=O)Nc1c(ccc(c1)C1=CCCCC1)N	PC-id_89183240,SCHEMBL13833571	354.446	CBJDNGHBMVGIDR-UHFFFAOYSA-N	00100010000011110000110000000000000000000000000000000000	22-01-144227
Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@H]3[C@H](NC(=O)C[C@@H]4C=CCC4)[C@H]3C2)cn1	ZINC22_976141868	354.446	QODWRHNJPVIIIX-FWXJYBMHSA-N	00100011100000000001110000000000000000000000000000000000	22-01-144228
Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@H]3[C@H](NC(=O)C[C@H]4C=CCC4)[C@H]3C2)cn1	ZINC22_976141869	354.446	QODWRHNJPVIIIX-IUCWBUGQSA-N	00100011100000000001110000000000000000000000000000000000	22-01-144229
Cn1cc(nc1)OC(=O)N(CCCc1ccccc1)CC1C2C1CNC2	PC-id_90353461,SCHEMBL15967139	354.446	LFDUADGKJZGUOE-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-144230
[N-]=[N+]=NC1CCC(C1)[C@@](c1ccccc1)(C(=O)CC[C@@H]1[C@@H]2[C@H]1CNC2)O	SCHEMBL14370732	354.446	KAFMDNVAFLUWFK-JGMXWCRZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144231
OC(C1CC(N=[N+]=[N-])CC1)(C(=O)CCC1C2C1CNC2)c1ccccc1	PC-id_76823945	354.446	KAFMDNVAFLUWFK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144232
O[C@@](C1CC(N=[N+]=[N-])CC1)(C(=O)CCC1[C@H]2[C@@H]1CNC2)c1ccccc1	PC-id_58586144	354.446	KAFMDNVAFLUWFK-QZTJCJJOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144233
O=C(c1nnn(c1)Cc1ccc(cc1)CN1CC2C(C1)C2)OC(C)(C)C	SCHEMBL18795010	354.446	MAJREKOJXQOAKV-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-144234
O(CCN1CC2(N)C(C2)C1)c1cc(OCC)c(cc1)c1nc(N)ccc1	PC-id_53752451	354.446	DCCIBUVRNNXGGI-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-144235
O=C(N1CC2C(C2CN(CC)Cc2nc(on2)C)C1)c1c(cccc1)C	PC-id_76425656	354.446	UXLVVOHCANCLRG-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-144236
O=C(N1C[C@@H]2[C@@H](C2CN(CC)Cc2nc(on2)C)C1)c1c(cccc1)C	PC-id_56893518	354.446	UXLVVOHCANCLRG-AYHJJNSGSA-N	00100010100000110001010000000000000000000000000000000000	22-01-144237
O=C(NCCc1c[nH]nc1)C1C2C1CN(C2)Cc1cc(c(OC)cc1)C	PC-id_76425109	354.446	KISOBNCSYVCDCH-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-144238
O=C(NCCc1c[nH]nc1)C1[C@@H]2[C@H]1CN(C2)Cc1cc(c(OC)cc1)C	PC-id_56891309	354.446	KISOBNCSYVCDCH-JJTKIYQPSA-N	00100010100000110001010000000000000000000000000000000000	22-01-144239
O=C(NCCn1ccnc1)C1C2C1CN(C2)Cc1cc(c(OC)cc1)C	PC-id_76437273	354.446	PEAXYTGQVMBXSX-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-144240
O=C(NCCn1ccnc1)C1[C@H]2[C@@H]1CN(C2)Cc1cc(c(OC)cc1)C	PC-id_56904698	354.446	PEAXYTGQVMBXSX-JJTKIYQPSA-N	00100010100000110001010000000000000000000000000000000000	22-01-144241
O=C(N[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)[C@@H]1C[C@H]1c1cnn(c1)C)CC1C=CCC1	MCULE-5960740097,EMOLS-id_317055821	354.446	QODWRHNJPVIIIX-RZXJGNPJSA-N	00100011100000000001110000000000000000000000000000000000	22-01-144242
OCC(P1C2C1CCCCCC2)CCP1C2C1CCCCCC2	PC-id_140502647	354.447	RWUNVUJUXILBIE-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-144243
O=C(Cc1nnn(n1)C(C)(C)C)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-9654683701,EMOLS-id_320141555	354.449	WGGXZGGVNWHBRE-HWWDLCQESA-N	00100010100000110001010000000000000000000000000000000000	22-01-144244
Cc1nc(C2CC2)sc1CC(=O)NCC1CC[C@H]2[C@H](CC1)C2(F)F	ZINC22_2325783125	354.458	ZNBHOIQVYXHLNN-KBPBESRZSA-N	00100000100000000101110000000000000000000000000000000000	22-01-144245
Cc1nc(C2CC2)sc1CC(=O)NCC1CC[C@@H]2[C@@H](CC1)C2(F)F	ZINC22_2325783127	354.458	ZNBHOIQVYXHLNN-ZIAGYGMSSA-N	00100000100000000101110000000000000000000000000000000000	22-01-144246
Cc1nc(C2CC2)sc1CC(=O)NC[C@@H]1CC[C@H]2[C@@H](CC1)C2(F)F	ZINC22_2325783126	354.458	ZNBHOIQVYXHLNN-UBSAEIQESA-N	00100000100000000101110000000000000000000000000000000000	22-01-144247
CCS[C@@H]1O[C@H](CO)[C@@]2([C@@]([C@H]1OCc1ccccc1)(O)C2(C)C)O	SCHEMBL16550540,PC-id_117938254	354.461	SZQQINNIORAELL-WBOSRHFRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144248
S(=O)(=O)(OC1C2(OC2(CC1)C)CCCCC)c1ccc(OC)cc1	PC-id_73112152	354.461	VNPNURUWGATQMZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144249
S(=O)(=O)(O[C@@H]1[C@@]2(O[C@@]2(CC1)C)CCCCC)c1ccc(OC)cc1	PC-id_11810376	354.461	VNPNURUWGATQMZ-KSZLIROESA-N	00100010000000110000010000000000000000000000000000000000	22-01-144250
O=C(c1ccc(cc1)C(=[O+])[C@@H]1[C@H]2[C@@H]1CC=C2)O[NH2+][C@@H](C1CCCCC1)C	PC-id_102300904	354.463	QUHUAQFHERAIRY-PPRPKMEESA-O	00100011000010110000010000000000000000000000000000000000	22-01-144251
O=C([C@](c1ccccc1)(C1CCCC1)O)OCC#CC[N@@H+]1C[C@H]2[C@@H](C1)C2	GLL_PC-id_9998202	354.463	PRTRYQFFLDMTMW-SVMVAKDDSA-O	00100010000010110000010000000000000000000000000000000000	22-01-144252
C/N=C(C(=C(C)C)/C=C(C=C)/C)/c1ncc(c(n1)NC1CCC2C1C2)F	SCHEMBL19250352	354.464	YJXHEGYYBQNDRG-JKJLGIBCSA-N	00100010000010100001010000000000000000000000000000000000	22-01-144253
CC(C(=O)N1CC2C(C1)C2(C)C)NS(=O)(=O)c1c(C)nn(c1C)C	EMOLS-id_111167060	354.468	QLECOMMPLLWUCF-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-144254
C1CC(CC(C1)O)C(=O)OCCCCCCCOCC1CCC2C1O2	SCHEMBL15726473,PC-id_90164533	354.481	KZBNYVWEASXVQC-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-144255
C1CC(COC1)C(=O)OCCCCCCCOCC1CCC2C(C1)O2	PC-id_89152048	354.481	QCLJEEFRBCAXMH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144256
CC12CCC(CC2O1)COCCOCCOCC1CCC2(C(C1)O2)C	PC-id_58785451,SCHEMBL12387020	354.481	ZKYOTOVNUJTWCA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144257
CC1CC2C(O2)CC1CC(CC1CC2C(O2)CC1C)(COCCO)O	PC-id_88752445	354.481	FWCBNLQJGUYQRQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144258
CC1CC2OC2CC1COCCOCCOCC1CC2OC2CC1C	SCHEMBL11759422	354.481	PEITWJSZMVVFCQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144259
CC1CCCC2(C)OC2(O)CCOC(=O)CCC(C(=O)C(C1)C)(C)C	PC-id_141104263	354.481	AGPIEXYQSXIXAQ-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-144260
CC1CC(CCO1)C(=O)OCCCCCCCOCC1CCC2C1O2	SCHEMBL20157449,PC-id_134514115	354.481	AKQJRKVMEXBFFX-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-144261
CC1C(O1)(C)CCC(C)C(=O)OC(C)COCC1CCC2(C(C1)O2)C	SCHEMBL14411038,PC-id_89331493	354.481	XBRDDFXWOKBTHN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144262
CCCCC(C1(CC2OC2CC1C(=O)O)C(=O)O)(C(C)C)CCCC	SCHEMBL9297529,PC-id_88442462	354.481	NHJWRWHEJUSLST-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144263
CCCCCCC1(CC2OC2CC1(CCCCCC)C(=O)O)C(=O)O	PC-id_54258575,SCHEMBL11868123	354.481	RBVIVTNHCDWKQX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144264
CCCCC(C(CC1(CC2OC2CC1C(=O)O)C(=O)O)C)CCCC	PC-id_57319378,SCHEMBL4600594	354.481	GLJHTZHTYOSDMI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144265
CCCCCCCCCCCCOC(=O)C12CCCCC1(O2)C(=O)O	SCHEMBL2678283,PC-id_87421487	354.481	LTNNTLMEPGPNPK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144266
CCCCCCOC(=O)C1CC2OC2CC1C(=O)OCCCCCC	SCHEMBL9656347,PC-id_21509439	354.481	IJSAOBIGPKHEGZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144268
CCCCCCOC(=O)C1CCCC2C1(O2)C(=O)OCCCCCC	PC-id_101310475	354.481	CUGZZKSRMILKLN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144269
CCCCCCOC(=O)C1C(CCC2C1O2)C(=O)OCCCCCC	PC-id_101310476	354.481	WPVDMZZFTIIWAA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144270
CC(CCCOC(=O)C1C2OC2CCC1C(=O)OCCCC(C)C)C	PC-id_140048982	354.481	KWIUSGBSTRDSEP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144271
CCCC(OC(=O)C1CC2OC2CC1C(=O)OC(CCC)CC)CC	PC-id_57054256,SCHEMBL9654501	354.481	VTPLUDABZDZHHF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144272
CCCCOC(=O)C1(CCC2C(C1C(C)(C)C)O2)C(=O)OCCCC	PC-id_87775529	354.481	JQNSWEGGYMAEKW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144273
CCCCOC(=O)C1(CC[C@@H]2[C@H](C1C(C)(C)C)O2)C(=O)OCCCC	SCHEMBL5081292	354.481	JQNSWEGGYMAEKW-YGFGXBMJSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144274
CCCCOC(=O)C1C[C@H]2O[C@H]2C(C1C(=O)OCCCC)C(C)(C)C	PC-id_22789188,SCHEMBL4390371	354.481	ILERRZKSFWKHPC-FGIFFFEVSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144275
C[C@H]1CCC[C@@]2(C)O[C@H]2CCOC(=O)C[C@@H](C(C(=O)[C@@H](C1)C)(C)C)O	SCHEMBL16389707,PC-id_117814433	354.481	FFELYRYKCLZDNH-HZMTTXTESA-N	00100000000000000100010000000000000000000000000000000000	22-01-144276
CC(OCC1CCC2(C(C1)O2)C)OC(C)OCC1CCC2(C(C1)O2)C	PC-id_89208029,SCHEMBL13954488	354.481	JLESCNQCNHUCBP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144277
CCOC(=O)CCOC(C1CCC2(C(C1)O2)C)(CCC1OC1(C)C)C	PC-id_143374616	354.481	YGFVPZRTXSGPMB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144278
O1C2C(C(C(CC12)C(=O)OCCCC)C(=O)OCCCC)C(C)(C)C	PC-id_73985268	354.481	ILERRZKSFWKHPC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144279
O=C([C@@H]1CCCOC1)OCCCCCCCOCC1CCC2C(C1)O2	SCHEMBL13706929	354.481	QCLJEEFRBCAXMH-WNWFYTGBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144280
C=CCC1(CCCc2ccc(cc2)CC)C(=O)OC(C2C(C1=O)C2)(C)C	PC-id_144650550	354.482	HISCVBHVVGHQFD-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-144281
CC#CC/C=C/CCCC(=O)O[C@H]([C@@H]1C[C@H]2[C@@H]([C@H]1C#C)O2)[C@@H]1C[C@@H]1CC	PC-id_101958200	354.482	FFEFQMHTQNEZAD-GOVIIAIDSA-N	00100010000000000000010000000000000000000000000000000000	22-01-144282
CCOC(=O)c1ccc(/C=C(C)/C=C/C23OC2(C)CCCC3(C)C)cc1	PC-id_44273793,CHEMBL20940	354.482	OHQAJZCZAQLZGZ-PYWSDYSGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144283
O1C2(C1(CCCC2(C)C)C)C=CC(=Cc1ccc(cc1)C(=O)OCC)C	PC-id_54150855	354.482	OHQAJZCZAQLZGZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144284
O(C1C2C(C2/C=C(CC/C=C(C1)/C)/C)(C)C)C(=O)c1ccc(OC)cc1	PC-id_6443464	354.482	PSEUVXLMKIAASF-LQDMAEROSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144285
O=C(OC1C/C(=CCC/C(=C/C2C1C2(C)C)/C)/C)c1ccc(OC)cc1	PC-id_190302,CNP0425651	354.482	PSEUVXLMKIAASF-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144286
C/C/1=C[C@H]2[C@@H](C2(C)C)[C@H](C/C(=C/CC1)/C)OC(=O)c1ccc(cc1)OC	PC-id_135133088	354.483	PSEUVXLMKIAASF-PIELFADPSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144287
COc1ccc(cc1)C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@H]2C1C2(C)C)/C)/C	SCHEMBL18495438	354.483	PSEUVXLMKIAASF-WNGKGWNBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144288
COc1ccc(cc1)C(=O)O[C@H]1C/C(=CCC/C(=C[C@H]2[C@@H]1C2(C)C)/C)/C	PC-id_101924762	354.483	PSEUVXLMKIAASF-IPPCKHNOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144289
COc1ccc(cc1)C(=O)O[C@@H]1C/C(=CCC/C(=C[C@@H]2[C@H]1C2(C)C)/C)/C	PC-id_101924763	354.483	PSEUVXLMKIAASF-UTBAISEWSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144290
COc1ccc(cc1)C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@H]2[C@@H]1C2(C)C)/C)/C	SCHEMBL20279257,PC-id_76330501	354.483	PSEUVXLMKIAASF-LWAGWDPJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144291
NCCOCCOCCNC(=O)OCC1C2C1CCC=CC(CC2)C	SCHEMBL19246106	354.484	ITVIGWAWSDNLLG-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-144292
OCC1N(CC2C1C2(C)C)C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C	PC-id_78025179	354.484	QUFLIPDDVYWGAG-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-144293
OC[C@H]1N(C[C@@H]2[C@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C	PC-id_101400745	354.484	QUFLIPDDVYWGAG-AAVRWANBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-144294
OC[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C	SCHEMBL14513459,PC-id_71190489	354.484	QUFLIPDDVYWGAG-RFQIPJPRSA-N	00100010000000000000010000000000000000000000000000000000	22-01-144295
CCC1=CC2CC2(N=C1CC)Cc1ccc(cc1OC)N(C(=O)C)CC	PC-id_144683280	354.486	QLSPZFRFUSKGIR-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-144296
CC(=CCCN1CC2C(C1)C2NC(=O)C(c1ccccc1)(C1CC1)O)C	SCHEMBL5948530,PC-id_69617403	354.486	HCCYHRZVCWLREK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144297
CC(=CCCN1CC2[C@H](C1)[C@H]2NC(=O)C(c1ccccc1)(C1CC1)O)C	SCHEMBL4082169	354.486	HCCYHRZVCWLREK-SFHMGJLPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144298
C=CCNC1C2C1CN(C2)C(=O)C(c1ccccc1)(C1CCCCC1)O	PC-id_11555196,SCHEMBL3621229	354.486	ODOMCHOFMBTFBG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144299
C=CCNC1C2C1CN(C2)C(=O)C(c1ccc(cc1)C)(C1CCCC1)O	PC-id_11588420,SCHEMBL3616497	354.486	QDUFXFBXLDIZEI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144300
[O-]C1=C(C2C(C2C1)(C)C)/C(=N/CC/N=C(/C1=C([O-])CC2C(C12)(C)C)C)/C	PC-id_75641516	354.486	HPPIFYXXALWQCW-ASIDMNOUSA-L	00100011000000000000010000000000000000000000000000000000	22-01-144301
[O-]C1=C([C@@H]2C([C@@H]2C1)(C)C)/C(=N/CC/N=C(/C1=C([O-])C[C@H]2C([C@@H]12)(C)C)C)/C	PC-id_51398240	354.486	HPPIFYXXALWQCW-RRPRYIQNSA-L	00100011000000000000010000000000000000000000000000000000	22-01-144302
OC(C1CC1)(C(=O)NC1C2C1CN(C2)CCC=CCC)c1ccccc1	PC-id_73074694	354.486	BOMJRNKDLOIKMO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144303
OC(C1CC1)(C(=O)NC1C2[C@@H]1CN(C2)CCC=C(C)C)c1ccccc1	PC-id_68904977	354.486	HCCYHRZVCWLREK-GXYLUKSESA-N	00100010000000110000010000000000000000000000000000000000	22-01-144304
OC(C1CC1)(C(=O)NC1[C@@H]2[C@H]1CN(C2)C/C=C/CCC)c1ccccc1	PC-id_10089510	354.486	MOSFNNVADOOKDY-ZUBMMLFGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144305
OC(C1CC1)(C(=O)NC1[C@H]2[C@@H]1CN(C2)CCC=C(C)C)c1ccccc1	PC-id_10316139	354.486	HCCYHRZVCWLREK-SYURHXKASA-N	00100010000000110000010000000000000000000000000000000000	22-01-144306
OC(C1CC1)(C(=O)NC1[C@@H]2[C@H]1CN(C2)CC/C=C/CC)c1ccccc1	PC-id_11725696	354.486	BOMJRNKDLOIKMO-CEOAMSKSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144307
OC(C(=O)NC1C2C1CN(C2)C(=C)C)(C1CCCCC1)c1ccccc1	PC-id_10247574	354.486	ZRONTKRNBMSAFP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144308
CCS(=O)c1ncc(s1)C(=O)NCCCCC1C(=O)CC2C1C2	SCHEMBL11779121,PC-id_68128924	354.487	GOXURDZDMUVXRH-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-144309
O=C(C1CCCN1S(=O)(=O)c1ccc(s1)C)NC1CC2C(C1)C2	EMOLS-id_102231978	354.487	QKUWOOWPPRRWFM-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-144310
O=C(C1CCCN1S(=O)(=O)c1cccs1)N1CC2C(C1)C2(C)C	EMOLS-id_111162146	354.487	KEKSIEUXSGXNCI-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-144311
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O=C(Cc1ccc(s1)S(=O)(=O)N1CCCC1)NC1CC2C(C1)C2	EMOLS-id_102228198	354.487	AYJBZKHDTQFTCZ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-144313
O=C(N1CCC(CC1)C1NNC(C1)Cc1ccccc1)C1C2C1CNC2	PC-id_76407234	354.489	XHKXBLUTZUWPOR-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-144314
[P+](=C)(C(CC12C(C1(C)C)C(C(C2C)(C)C)C)(C)C)C[P+](=C)CC	PC-id_72564139	354.49	OTYZPJUSYUUFGO-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-144315
[P+](=C)(C(C[C@]12[C@H](C1(C)C)[C@H](C([C@@H]2C)(C)C)C)(C)C)C[P+](=C)CC	PC-id_59795994	354.49	OTYZPJUSYUUFGO-JJDSTIRJSA-N	00100010000010000000010000000000000000000000000000000000	22-01-144316
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Cn1nc(c(c1)c1ccc(nn1)NC1[C@H]2[C@H]1CN(C2)CCC(C)(C)C)C	SCHEMBL21224819,PC-id_139371219	354.492	VUVFEGKLXGXRGH-HZPDHXFCSA-N	00100010100000100001110000000000000000000000000000000000	22-01-144318
Cn1nc(c(c1)c1ccc(nn1)NC1[C@@H]2[C@H]1CN(C2)CCC(C)(C)C)C	SCHEMBL21225107,PC-id_139371433	354.492	VUVFEGKLXGXRGH-MCPYQZEQSA-N	00100010100000100001110000000000000000000000000000000000	22-01-144319
Cn1nc(c(c1)c1ccc(nn1)N[C@@H]1[C@@H]2[C@H]1CN(C2)CCC(C)(C)C)C	SCHEMBL21225105	354.492	VUVFEGKLXGXRGH-MNZLEMJZSA-N	00100010100000100001110000000000000000000000000000000000	22-01-144320
Cn1nc(c(c1)c1ccc(nn1)N[C@@H]1[C@H]2[C@@H]1CN(C2)CCC(C)(C)C)C	SCHEMBL21225106	354.492	VUVFEGKLXGXRGH-HGKCTWBKSA-N	00100010100000100001110000000000000000000000000000000000	22-01-144321
CCCOCCC[Si](c1cccc2c1S2)(OC(=O)C)OC(=O)C	PC-id_140154939	354.493	SFTXLWXSDJVVHQ-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-144322
O=C(N1CCCC(C1)S(=O)(=O)NC1CCCC1)CC1CCC2C1C2	EMOLS-id_101332798	354.507	DPKIYEOVSGODPP-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-144323
S=C(Oc1ccc(cc1)CCN1CCCCC1)NC1=CC2C(C=C1)C2	PC-id_143381716	354.509	ADWFSNFMXSNZPS-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-144324
Cc1scc(n1)c1ccc(s1)S(=O)(=O)N1CC2C(C1)C2(C)C	EMOLS-id_100369551	354.511	PYTXJRBAWJXQDZ-UHFFFAOYSA-N	00100010100100000001110000000000000000000000000000000000	22-01-144325
CC[Si](OC1C(=C[C@H]([C@H]2[C@@H]1O2)OC(=O)C)/C=C/C(O)C)(CC)CC	PC-id_101513448	354.513	UGZCJNIUENLDEF-METINVMBSA-N	00100000000011000000010000000000000000000000000000000000	22-01-144326
c1ccc(cc1)O[SiH](Oc1ccccc1)CCCC1CCC2C(C1)O2	SCHEMBL2799749	354.515	WYHHKCKUMPCVOG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144327
C[Si](Oc1ccccc1)(Oc1ccccc1)CCC1CCC2C(C1)O2	PC-id_21922159,SCHEMBL845368	354.515	CMVRXZWIGKJZKG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144328
CC1(CCCC(C1)OCCCCCCOCC1CCC2C(C1)(O2)C)O	SCHEMBL13310924,PC-id_89058724	354.524	TYBWBJMTSYDKMR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144329
CC1OCCC(C1)COC(CC(OCC1CCC2C(C1)O2)(C)C)(C)C	SCHEMBL19102143	354.524	VQRCDHULXOCAJN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144330
CCC(CC1C(O1)C)OCCCCCCCCOC1CCC2C(C1)O2	SCHEMBL13707169,PC-id_89152080	354.524	SUBOUOXNKLIQBZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144331
CCC(C(C(=O)OCCOC1CCC2C(C1)O2)CC(CC)(C)C)(C)C	PC-id_144724182	354.524	VBNRBIIBVDTNMA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144332
CC(=CCC[C@]1(C)[C@@H]2[C@H]1CO[C@H](C2=C(C)C)COCc1ccccc1)C	PC-id_102043012	354.526	LIJGCDYTGCWBFX-JSRBNTPPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144333
CC(=CCC[C@@]1(C)[C@@H]2[C@H]1CO[C@H](C2=C(C)C)COCc1ccccc1)C	PC-id_102043014	354.526	LIJGCDYTGCWBFX-CBJLPSGESA-N	00100000000010110000010000000000000000000000000000000000	22-01-144334
CCC1(CC)C2OC2N(CC(N1OC(=O)C(C)(C)C)(C)C)C(C)(C)C	PC-id_142939487	354.527	ULIPNWMNILRDDH-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-144335
CC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CC3CCC(c4ccccc4)CC3)C[C@H]12	ZINC22_1875362134	354.529	SFTLWUIQEXTJQX-AZVUOUEMSA-N	00100010000010110000110000000000000000000000000000000000	22-01-144336
CCCCC(COC(=O)CN(SSN1c2c1cccc2)C)CC	PC-id_139397762	354.531	KOVMJOIJQWGFJF-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-144337
COC(=O)[C@@]1(C(=C)O[Si](C(C)C)(C(C)C)C(C)C)C2C1CCCO2	PC-id_139247374	354.556	FZCVFOCIRRNPNO-FAFZWHIHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144338
COC(=O)C1C(=O)C[C@@H]2[C@@](C[C@H]1C)(C2(C)C)O[Si](C(C)(C)C)(C)C	PC-id_101142474	354.556	ZSMXJELVKRQULD-FQALWAOHSA-N	00100000000000000100010000000000000000000000000000000000	22-01-144339
COC(=O)CC1CC[C@@]2([C@H](CC1=O)C2(C)C)O[Si](C(C)(C)C)(C)C	PC-id_102326089	354.556	CPBSQTIZSHAUGW-NRYXDWBNSA-N	00100000000000000100010000000000000000000000000000000000	22-01-144340
[Si](OC12C(C1CC(=O)C(C(C2)C)C(=O)OC)(C)C)(C(C)(C)C)(C)C	PC-id_72501281	354.556	ZSMXJELVKRQULD-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-144341
[Si](O[C@]12C([C@H]1CC(=O)C([C@@H](C2)C)C(=O)OC)(C)C)(C(C)(C)C)(C)C	PC-id_59052191	354.556	ZSMXJELVKRQULD-RNRNNFSYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-144342
[Si](OC1CC2OC2(C(=CC(=O)OC(C)(C)C)C1)C)(C(C)(C)C)(C)C	PC-id_73075623	354.556	FYIAKHYAKQYMCU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144343
[Si](OCC12C(C1)C(OC(=O)C)CC2(CC(=O)C)C)(C(C)(C)C)(C)C	PC-id_75301279	354.556	NSNXJHUFTCWIHH-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-144344
[Si](OC[C@@]12[C@@H](C1)[C@@H](OC(=O)C)C[C@]2(CC(=O)C)C)(C(C)(C)C)(C)C	PC-id_49840486	354.556	NSNXJHUFTCWIHH-RNIPGJKVSA-N	00100010000010000000010000000000000000000000000000000000	22-01-144345
[Si](OC(C1C2(OC2CC(C1)C(=C)C)C)C(=O)OC)(C(C)(C)C)(C)C	PC-id_72806781	354.556	SJRULPQAHVKJKQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144346
[Si](OC(=C)C1(C2C1OCCC2)C(=O)OC)(C(C)C)(C(C)C)C(C)C	PC-id_72825432	354.556	FZCVFOCIRRNPNO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144347
[Si](OC(=C)[C@@]1([C@H]2[C@H]1OCCC2)C(=O)OC)(C(C)C)(C(C)C)C(C)C	PC-id_11382675	354.556	FZCVFOCIRRNPNO-LMMKCTJWSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144348
[Si](O[C@H]1C[C@@H]2O[C@@]2(C(=CC(=O)OC(C)(C)C)C1)C)(C(C)(C)C)(C)C	PC-id_10959182	354.556	FYIAKHYAKQYMCU-ZRGWGRIASA-N	00100000000010000000010000000000000000000000000000000000	22-01-144349
[Si](O[C@H]1C[C@H]2O[C@]2(/C(=C/C(=O)OC(C)(C)C)/C1)C)(C(C)(C)C)(C)C	PC-id_11078746	354.556	FYIAKHYAKQYMCU-CQMSFLJPSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144350
c1ccc(cc1)CCC/C=C(/C1C2C1CCCC2)CCCc1ccccc1	PC-id_102473389	358.559	CDATXACOCWZLDC-HKOYGPOVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145676
[Si](O[C@H]1C[C@@H]2O[C@@]2(/C(=C/C(=O)OC(C)(C)C)/C1)C)(C(C)(C)C)(C)C	PC-id_11727959	354.556	FYIAKHYAKQYMCU-DKNVJWIASA-N	00100000000010000000010000000000000000000000000000000000	22-01-144351
[Si](O[C@H]([C@H]1[C@]2(O[C@H]2C[C@@H](C1)C(=C)C)C)C(=O)OC)(C(C)(C)C)(C)C	PC-id_11337189	354.556	SJRULPQAHVKJKQ-LAIHZFQQSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144352
C=C/C(=CC=C(CC1CCCCC[C@@]2(C1C2)C)/C)/C(=N)/C(=C(/NC)C)/C	SCHEMBL20218174	354.572	SKWYBQXYEQHOJE-XGAJOBLMSA-N	00100000000000000100010000000000000000000000000000000000	22-01-144353
C/C(=CC=C(/C=C)C(=C(/C)C(=NC)C)N)/CC1CCCCC[C@@]2(C1C2)C	PC-id_134567911	354.572	HQDUVRNNXZBSDJ-YQDLREOTSA-N	00100000000000000100010000000000000000000000000000000000	22-01-144354
CCCOCCC[Si](c1cccc2c1S2)(OC(C)C)OC(C)C	PC-id_140154936	354.579	DVWYRRHNDPKKGL-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-144355
CCCOCCC[Si](c1cccc2c1S2)(OCCC)OCCC	PC-id_140154962	354.579	QKPDUSQNGUNFHT-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-144356
S1C2C1CCC2O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_73240570	354.581	OKDFTTUQPBEKGY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144357
S1[C@H]2[C@@H]1CC[C@H]2O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_16091120	354.581	OKDFTTUQPBEKGY-HSALFYBXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144358
S1[C@@H]2[C@H]1CC[C@H]2O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_16091358	354.581	OKDFTTUQPBEKGY-AQNXPRMDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144359
CCC1=C(C(=C(C2(CC2C1)CC)C)Sc1c(c(cc(c1C)C)C)C)C	PC-id_89387776	354.592	SQHQIGMSQAVQDV-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144360
CCC1=C(C)C(=C([C@@]2([C@H](C1)C2)CC)C)Sc1c(C)c(C)cc(c1C)C	SCHEMBL14631812	354.592	SQHQIGMSQAVQDV-ZJSXRUAMSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144361
CCC(C)(C)CC1=CC(C2C1C2)CCCC=C(C)CCCCC=C=CC	PC-id_90987588	354.612	RKMXOPRXZWGAFH-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-144362
CC(C)[Si](C)(C1CCC2C(C1)O2)O[Si](C)(C)C1CCC2C(C1)O2	PC-id_88610118,SCHEMBL10431678	354.632	FWZSYHWPCZNBRF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144363
C[Si](CCC1CCC2C(C1)O2)(O[SiH2]CCC1CCC2C(C1)O2)C	SCHEMBL13403139	354.632	QSQBKBHATRBGDT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144364
C[Si](O[Si](C1CCC2C(C1)O2)(C)C)(CCC1CCC2C(C1)O2)C	PC-id_57866320,SCHEMBL12253591	354.632	VMQDQNTURGMPMS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144365
[Si](O[Si](CC1CC2OC2CC1)(C)C)(CC1CC2OC2CC1)(C)C	PC-id_54523292	354.632	YRJBDTVNTXKAFH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144366
CCOCO[C@H]([C@H]1CCC[C@H]2[C@@H]1[Si]2(C(C)(C)C)C(C)(C)C)C(C)C	PC-id_101186811	354.642	UILAECAOWJOSFX-YDZRNGNQSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144367
Brc1ccc(c(c1)Cl)CC1(CNC2CC2)CC2C(C1)C2	PC-id_116078425	354.712	GWNOMTWWICOMQG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144368
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)OC(=O)N(c1ccccc1)Cl	PC-id_88060563	354.742	GIZFJELMRPANLY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144369
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)OC(=O)Nc1cc(ccc1)Cl	PC-id_91135365,SCHEMBL6795139	354.742	QFMSNNJCRNJUAN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144370
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)OC(=O)Nc1ccc(cc1)Cl	PC-id_91504546,SCHEMBL6792358	354.742	BETZGRFDLTXUQW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144371
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)OC(=O)Nc1ccccc1Cl	SCHEMBL6908511,PC-id_91539377	354.742	LKQGYHWBVCRUDH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144372
Clc1ccc(NC(=O)OC2C3C([C@H]3C(=O)O)C(N)(C2)C(=O)O)cc1	PC-id_69933854,SCHEMBL6907262	354.742	BETZGRFDLTXUQW-RMCSDEMFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144373
Clc1ccc(NC(=O)O[C@@H]2[C@@H]3[C@@H]([C@H]3C(=O)O)[C@@](N)(C2)C(=O)O)cc1	PC-id_60096253,SCHEMBL6792360	354.742	BETZGRFDLTXUQW-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-144374
Clc1cc(NC(=O)OC2C3C([C@H]3C(=O)O)C(N)(C2)C(=O)O)ccc1	SCHEMBL6906499,PC-id_69933674	354.742	QFMSNNJCRNJUAN-RMCSDEMFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144375
Clc1cc(NC(=O)O[C@@H]2[C@@H]3[C@@H]([C@H]3C(=O)O)[C@@](N)(C2)C(=O)O)ccc1	SCHEMBL6795141,PC-id_60096191	354.742	QFMSNNJCRNJUAN-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-144376
Clc1c(NC(=O)OC2C3C([C@H]3C(=O)O)C(N)(C2)C(=O)O)cccc1	PC-id_69934178,SCHEMBL6908514	354.742	LKQGYHWBVCRUDH-RMCSDEMFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144377
Clc1c(NC(=O)O[C@@H]2[C@@H]3[C@@H]([C@H]3C(=O)O)[C@@](N)(C2)C(=O)O)cccc1	PC-id_60096187,SCHEMBL6788902	354.742	LKQGYHWBVCRUDH-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-144378
ClN(c1ccccc1)C(=O)OC1CC(C2C1[C@@H]2C(=O)O)(N)C(=O)O	SCHEMBL6908515	354.742	GIZFJELMRPANLY-RMCSDEMFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144379
O=C(Nc1ccccc1Cl)O[C@H]1C[C@@](C2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O	PC-id_142165124	354.742	LKQGYHWBVCRUDH-MDUZCOHBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144380
O=C(O[C@H]1C[C@@](C2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O)Nc1cccc(c1)Cl	PC-id_142165121	354.742	QFMSNNJCRNJUAN-MDUZCOHBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144381
Clc1cc(N[C@@H]2[C@@H]3[C@H]2COC3)cc(c1)c1cccc(n1)C(F)(F)F	SCHEMBL19486821	354.754	VXIIUABVIBVEBR-VIKVFOODSA-N	00100010000000111000110000000000000000000000000000000000	22-01-144382
O=C(NC1CC1)c1cc(NC(=O)[C@]23CCC[C@@H]2C3(F)F)ccc1Cl	ZINC22_1875290511	354.779	NBEROLOQOKQGQN-BBRMVZONSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144383
O=C(NC1CC1)c1cc(NC(=O)[C@]23CCC[C@H]2C3(F)F)ccc1Cl	ZINC22_1875290512	354.779	NBEROLOQOKQGQN-CJNGLKHVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144384
O=C(NC1CC1)c1cc(NC(=O)[C@@]23CCC[C@H]2C3(F)F)ccc1Cl	ZINC22_1875290513	354.779	NBEROLOQOKQGQN-CZUORRHYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144385
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COc1cc(OC)c(c(c1C(=O)[C@]1(C)[C@H](C)CC(=O)C2C1O2)O)Cl	PC-id_144564134	354.782	FXJXZYGJMWBLQD-HDAHHTRCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144387
OCC1OC(/N=N/N=C(/Cc2ccc(c(c2)Cl)C)N)C2C(C1O)O2	PC-id_143940477	354.789	INVGMXAZLOVOFG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144388
C1C2C1CN(C2)C(=O)C(c1nc(cs1)c1ccc(cc1)Cl)(F)F	PC-id_90134815,SCHEMBL15689254	354.802	QDNQORKDUFKZQS-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144389
Clc1cc(c2c(C(=O)N3C(C4C(C4)C3)C(=O)N)ccc(c2)C)ccc1	PC-id_76542704	354.83	WICQBLMKIQEHKN-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-144390
Clc1cc(c2c(C(=O)N3C(C4C(C4)C3)C(=O)N)cc(cc2)C)ccc1	PC-id_77501214	354.83	GMNLKCNAFCURAQ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-144391
Clc1cc(c2c(C(=O)N3C(C4C(C4)C3)C(=O)N)cccc2C)ccc1	PC-id_77501237	354.83	QLXKRUDMNJFTSZ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-144392
Clc1cc(c2c(C(=O)N3[C@H]([C@@H]4[C@@H](C4)C3)C(=O)N)ccc(c2)C)ccc1	PC-id_57489296	354.83	WICQBLMKIQEHKN-DOPJRALCSA-N	00100010000000110000110000000000000000000000000000000000	22-01-144393
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C[C@H](C(=O)N[C@@]1(C[C@@H]([C@H]2[C@@H]1[C@@H]2C(=O)O)SC3=NC=NN3)C(=O)O)N	PC-id_164811236	355.095	BBGHHIUQOKQCBW-FGKXDLMWSA-N	00100010100010000001010000000000000000000000000000000000	22-01-144412
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Fc1c(COC(=O)C2(N)C3(C(C3)CC2C(=O)O)C(=O)O)cccc1F	PC-id_77689113	355.29	ZCIBWJBVJUNUTM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144457
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Cc1cccnc1C(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@]3(C)CCC(=O)C3)C[C@H]12	ZINC22_1875332073	355.431	LJVUZHVFRWINHZ-IHSNIMORSA-N	00100010000000101000010000000000000000000000000000000000	22-01-144558
Cc1cccnc1C(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@@]3(C)CCC(=O)C3)C[C@H]12	ZINC22_1875332075	355.431	LJVUZHVFRWINHZ-MFCZKXCZSA-N	00100010000000101000010000000000000000000000000000000000	22-01-144559
CC1(C)NC(=O)N(Cc2ccc(NC(=O)C3C4CCCCC34)cc2)C1=O	SYN-20016877,PC-id_46970008,MCULE-1034073998,EMOLS-id_30436605	355.431	PGDYTSOAAFZDLC-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-144560
CC1(C)NC(=O)N(Cc2ccc(NC(=O)C3[C@H]4CCCC[C@@H]34)cc2)C1=O	PC-id_51592535,ZINC22_19460160	355.431	PGDYTSOAAFZDLC-XYPWUTKMSA-N	00100010000010110001010000000000000000000000000000000000	22-01-144561
CC1(C)NC(=O)N(Cc2ccc(NC(=O)C3[C@H]4CCCC[C@H]34)cc2)C1=O	PC-id_98138035,ZINC22_100770857	355.431	PGDYTSOAAFZDLC-GJZGRUSLSA-N	00100010000010110001010000000000000000000000000000000000	22-01-144562
CC1(C)NC(=O)N(Cc2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)C1=O	ZINC22_100770858,PC-id_98138036	355.431	PGDYTSOAAFZDLC-HUUCEWRRSA-N	00100010000010110001010000000000000000000000000000000000	22-01-144563
CC1(C)NC(=O)N(Cc2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)cc2)C1=O	CoCoCo_494156,ZINC22_253600499	355.431	PGDYTSOAAFZDLC-ZSHCYNCHSA-N	00100010000010110001010000000000000000000000000000000000	22-01-144564
CC1(C)OC[C@H]2C[C@]12NC(=O)CCC(=O)N1CCC(=N1)c1ccccc1	ZINC22_529779200	355.431	AMRWZUXRSMXMDO-FOIQADDNSA-N	00100011000000110001110000000000000000000000000000000000	22-01-144565
CC1(C)OC[C@@H]2C[C@]12NC(=O)CCC(=O)N1CCC(=N1)c1ccccc1	ZINC22_529779201	355.431	AMRWZUXRSMXMDO-MGPUTAFESA-N	00100011000000110001110000000000000000000000000000000000	22-01-144566
CC1(C)OC[C@H]2C[C@@]12NC(=O)CCC(=O)N1CCC(=N1)c1ccccc1	ZINC22_529779202	355.431	AMRWZUXRSMXMDO-QRWLVFNGSA-N	00100011000000110001110000000000000000000000000000000000	22-01-144567
CC1(C)OC[C@@H]2C[C@@]12NC(=O)CCC(=O)N1CCC(=N1)c1ccccc1	ZINC22_529779203	355.431	AMRWZUXRSMXMDO-YWZLYKJASA-N	00100011000000110001110000000000000000000000000000000000	22-01-144568
O=C(c1ccccc1)NC1C2C1CN(C2)CCCN1C(=O)CCCC1=O	SCHEMBL5592226,PC-id_16063346	355.431	BTHVBXSPLOJPPQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144569
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Nc1ccc(cc1)CN1C(=O)NC(C1=O)(C)C	CoCoCo_494157	355.431	PGDYTSOAAFZDLC-MUJYYYPQSA-N	00100010000010110001010000000000000000000000000000000000	22-01-144570
[P+](C1CC2C(C2)C=C1)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_72807622	355.432	UIMPLUZTVXKUBY-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-144571
[P+]([C@H]1C[C@H]2[C@H](C2)C=C1)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_11339524	355.432	UIMPLUZTVXKUBY-STWLZBDKSA-N	00100000000011110000010000000000000000000000000000000000	22-01-144572
C[C@@H]1[C@H]2[C@@H]1N(C)C(=O)[C@H](CC2)NC(=O)C(=NC=NCc1ccccc1)N	PC-id_145225014	355.434	TWPNQBNYTAFFRL-SYAUCNOPSA-N	00100000000000110100010000000000000000000000000000000000	22-01-144573
COc1cccc(c1)C[C@H](n1nnnc1C)C(=O)NC1[C@@H]2[C@H]1CCCC2	PC-id_95973076	355.434	YYOAZDMOOIAWKW-KTGAGVNESA-N	00100000100010110001010000000000000000000000000000000000	22-01-144574
COc1cccc(c1)C[C@@H](n1nnnc1C)C(=O)NC1[C@@H]2[C@H]1CCCC2	PC-id_95973077	355.434	YYOAZDMOOIAWKW-SOABOVLPSA-N	00100000100010110001010000000000000000000000000000000000	22-01-144575
COc1cccc(c1)CC(n1nnnc1C)C(=O)NC1C2C1CCCC2	MCULE-4215860079,PC-id_72105444,EMOLS-id_43403573	355.434	YYOAZDMOOIAWKW-UHFFFAOYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-144576
COc1cccc(C[C@H](C(=O)NC2[C@@H]3CCCC[C@@H]23)n2nnnc2C)c1	PC-id_100901175,ZINC22_230167339	355.434	YYOAZDMOOIAWKW-BRWVUGGUSA-N	00100000100010110001010000000000000000000000000000000000	22-01-144577
COc1cccc(C[C@H](C(=O)NC2[C@H]3CCCC[C@H]23)n2nnnc2C)c1	PC-id_98215506,ZINC22_101473753	355.434	YYOAZDMOOIAWKW-YESZJQIVSA-N	00100000100010110001010000000000000000000000000000000000	22-01-144578
COc1cccc(C[C@H](C(=O)N[C@@H]2[C@H]3CCCC[C@@H]23)n2nnnc2C)c1	ZINC22_252677500	355.434	YYOAZDMOOIAWKW-XDNAFOTISA-N	00100000100010110001010000000000000000000000000000000000	22-01-144579
COc1cccc(C[C@@H](C(=O)N[C@@H]2[C@H]3CCCC[C@@H]23)n2nnnc2C)c1	ZINC22_252677501	355.434	YYOAZDMOOIAWKW-XWTMOSNGSA-N	00100000100010110001010000000000000000000000000000000000	22-01-144580
O=C([C@@H]1[C@@H]2[C@H]1CNC2)N1CCC(CC1)c1nnc(n1C)Cn1cncc1	EMOLS-id_46097359,MCULE-5720114121	355.437	GAPDHBKRJWICAO-FOLVSLTJSA-N	00100010100010000001110000000000000000000000000000000000	22-01-144581
O=C(N1CCC(CC1)c1n(c(nn1)Cn1ccnc1)C)C1[C@H]2[C@@H]1CNC2	PC-id_72937210	355.437	GAPDHBKRJWICAO-MZBDJJRSSA-N	00100010100010000001110000000000000000000000000000000000	22-01-144582
Cc1ccc(cc1)S(=O)(=O)N1CCC2C(C1)C2C(=O)c1ccccc1	PC-id_101244936	355.451	OBSQVHQQSQZYBD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144583
Cc1ccc(cc1)S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)c1ccccc1	PC-id_101375743	355.451	OBSQVHQQSQZYBD-QYZOEREBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144584
Cc1ccc(cc1)S(=O)(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)c1ccccc1	PC-id_101375747	355.451	OBSQVHQQSQZYBD-IPMKNSEASA-N	00100000000010110000010000000000000000000000000000000000	22-01-144585
COc1ccc(cc1OC)CCN1C(=O)C2C(/C/1=C/c1ccsc1)C2	PC-id_102447642	355.451	UKCNYFRHISZLOW-MFOYZWKCSA-N	00100010100100110000010000000000000000000000000000000000	22-01-144586
Cc1nc(c(s1)c1cccc(c1C)C)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N	PC-id_67081711,SCHEMBL1572741	355.454	BSVNNHBXRPMFNG-QEJZJMRPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144587
Cc1nc(c(s1)c1cccc(c1C)C)C(=O)N1[C@H]2C[C@@H]2C[C@H]1C(=O)N	SCHEMBL1572742,PC-id_67081712	355.454	BSVNNHBXRPMFNG-SNPRPXQTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144588
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N)c1ccc(c(c1)C)C	SCHEMBL1572142,PC-id_67081380	355.454	UCKJHSSUAHAUJC-KKUMJFAQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144589
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@@H]2C[C@H]1C(=O)N)c1ccc(c(c1)C)C	SCHEMBL1572144,PC-id_67081382	355.454	UCKJHSSUAHAUJC-ILXRZTDVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144590
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N)c1cc(C)cc(c1)C	PC-id_67081379,SCHEMBL1572141	355.454	ZNGQSNSXCPASGN-QEJZJMRPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144591
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@@H]2C[C@H]1C(=O)N)c1cc(C)cc(c1)C	SCHEMBL1572143,PC-id_67081381	355.454	ZNGQSNSXCPASGN-SNPRPXQTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144592
CCc1ccc(cc1)c1sc(nc1C(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)N)C2)C	PC-id_68443246,SCHEMBL2925426	355.454	HPUGYVXEKDSMQL-FMKPAKJESA-N	00100010100000110001110000000000000000000000000000000000	22-01-144593
CCc1ccc(cc1)c1sc(nc1C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N)C2)C	PC-id_68633937,SCHEMBL3415532	355.454	HPUGYVXEKDSMQL-DZKIICNBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144594
CCc1nc(c(s1)c1cccc(c1)C)C(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)N)C2	PC-id_68445268,SCHEMBL2930710	355.454	BKLRWOXYHHXXDO-IOASZLSFSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144595
CC(=O)N1CCC2(C(C1)C2)C(=O)Nc1cc(ccc1N)c1cccs1	PC-id_134414913,SCHEMBL20047346	355.454	XBMZHNKIQSYFCS-UHFFFAOYSA-N	00100000100110110000110000000000000000000000000000000000	22-01-144596
NC(=O)[C@@H]1[C@H]2CC2CN1C(=O)c1nc(sc1c1ccc(c(c1)C)C)C	SCHEMBL3411989,PC-id_68632527	355.454	WRMJBXFSEVEMCG-DSUHRAPHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144597
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccc(cc1C)C)C	PC-id_68634968,SCHEMBL3418137	355.454	NMBKXLHNSJXTPI-NOLJZWGESA-N	00100010100000110001110000000000000000000000000000000000	22-01-144598
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1ccc(c(c1)C)C)C	SCHEMBL2924889,PC-id_68443002	355.454	WRMJBXFSEVEMCG-FMKPAKJESA-N	00100010100000110001110000000000000000000000000000000000	22-01-144599
NC(=O)[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccc(c(c1)C)C)C	SCHEMBL3411993,PC-id_68632530	355.454	WRMJBXFSEVEMCG-LZWOXQAQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144600
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccc(c(c1)C)C)C	SCHEMBL3412492,PC-id_68632731	355.454	WRMJBXFSEVEMCG-DZKIICNBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144601
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1C)C)C	SCHEMBL3415370,PC-id_68633865	355.454	VULTYLFFYRQHPE-NOLJZWGESA-N	00100010100000110001110000000000000000000000000000000000	22-01-144602
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cc(C)cc(c1)C)C	SCHEMBL3414912,PC-id_68633676	355.454	ODCHFRXLGUJHTB-DZKIICNBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144603
O=C(N1CC2C(C1)C2(C)C)Nc1cccc(c1)NC(=O)c1cccs1	EMOLS-id_100970818	355.454	GPTFSEJXBUJABG-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-144604
s1c(c(nc1CC)C(=O)N1C(C2C(C2)C1)C(=O)N)c1cc(ccc1)C	PC-id_77501279	355.454	BKLRWOXYHHXXDO-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144605
s1c(c(nc1C)C(=O)N1C2C(C2)CC1C(=O)N)c1cc(cc(c1)C)C	PC-id_77222969	355.454	ZNGQSNSXCPASGN-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144606
s1c(c(nc1C)C(=O)N1C2C(C2)CC1C(=O)N)c1cc(c(cc1)C)C	PC-id_77222970	355.454	UCKJHSSUAHAUJC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144607
s1c(c(nc1C)C(=O)N1C2C(C2)CC1C(=O)N)c1c(c(ccc1)C)C	PC-id_77223098	355.454	BSVNNHBXRPMFNG-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144608
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1ccc(cc1)CC	PC-id_76542610	355.454	HPUGYVXEKDSMQL-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144609
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1cc(c(cc1)C)C	PC-id_76542619	355.454	WRMJBXFSEVEMCG-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144610
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1cc(cc(c1)C)C	PC-id_77530824	355.454	ODCHFRXLGUJHTB-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144611
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1c(c(ccc1)C)C	PC-id_77530856	355.454	VULTYLFFYRQHPE-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144612
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1c(cc(cc1)C)C	PC-id_77531054	355.454	NMBKXLHNSJXTPI-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144613
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1ccc(cc1)CC	PC-id_57489141	355.454	HPUGYVXEKDSMQL-OFQRWUPVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144614
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1cc(c(cc1)C)C	PC-id_57489150	355.454	WRMJBXFSEVEMCG-OFQRWUPVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-144615
CC/C=C(/C(F)(F)C)C(=NC)CCC(NC(=O)C1[C@@H]2[C@H]1CNC2)(C)C	PC-id_144745349	355.466	UPUKQGPOUDXXMY-RTGZQCDPSA-N	00100010000000000000010000000000000000000000000000000000	22-01-144616
CCC(CC(C(=O)OCC(N1CC2C(C1C(=O)O)C2)O)(C(C)C)C)C	SCHEMBL14218091,PC-id_71102387	355.469	PRCSUBQQEGNPSN-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-144617
CCC([C@](C(=O)O)(NC12C(=O)C(C)CCC1C2(C)C)O)OC(C)(C)C	PC-id_142755539	355.469	VLSWSNAHRJTFEB-AABNSZBXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144618
CC(C)(C)OC(=O)N(CCCC1CCC2C(C1)O2)C(=O)OC(C)(C)C	SCHEMBL509477,PC-id_86638993	355.469	OIRPMUOUGWLHDZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144619
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COc1ccc(OC)c(NC(=O)C2C3CC/C=C/CC/C=CCCC23)c1	EMOLS-id_2394530,CK3212228	355.471	VHTCQRPKUANPBY-CGXWXWIYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144621
COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@H]23)c1	ZINC22_239425826	355.471	VHTCQRPKUANPBY-CSVZPYAESA-N	00100000000000110110010000000000000000000000000000000000	22-01-144622
COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3CC/C=CCC/C=C/CC[C@@H]23)c1	ZINC22_239425827	355.471	VHTCQRPKUANPBY-JFGMFMPZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144623
COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3CC/C=CCC/C=C/CC[C@@H]23)c1	ZINC22_239425828	355.471	VHTCQRPKUANPBY-PEHNBRFBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144624
COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3CC/C=C/CC/C=CCC[C@@H]23)c1	ZINC22_245297627	355.471	VHTCQRPKUANPBY-PELAHVRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-144625
OC1(C2CCCC2)C(C(CC#CCN2CC3C(C3)C2)C(=O)O)C=CC=C1	PC-id_77606781	355.471	IHBWTMGAZKGOJM-UHFFFAOYSA-N	00100010000011000000110000000000000000000000000000000000	22-01-144626
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Brc1c(n(nc1C)C)CC1(CC2C(C2)C1)CNCCOC	PC-id_80471823	356.301	AAWGWPKBTFQDSS-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-144766
CCCNC(c1c(Br)cnn1CCOC)C1C2C1CCC2	PC-id_105042912	356.301	ZPLLIAAJSIFMKD-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-144767
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NNC(c1c(Br)cnn1CCN(C)C)C1C2C1CCCC2	PC-id_105336530	356.304	IPPSUWVKOHBVHR-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-144770
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CCCCCC=CC1[C@@H]2[C@H]1CC(C2Cc1cccc(c1)CCC(=O)O)O	SCHEMBL11515953,PC-id_54416348	356.498	VXSCBRPLXCVGSO-RHDCMTSYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144976
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OC1C(C2C(C2C=CCCCCC)C1)Cc1cc(ccc1)CCC(=O)O	PC-id_73677477	356.498	VXSCBRPLXCVGSO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144978
CC1=CC2(CC2CC1C(=C(C1=CC=NCC1)N1CCSC1=C)C=C)F	PC-id_91414642	356.5	GAWOFCYPVQPNOJ-UHFFFAOYSA-N	00100010000011000001010000000000000000000000000000000000	22-01-144979
CCC(c1ccccc1C)C(=O)Cc1cccc(c1)CCC1=CC2C(=C1)C2	PC-id_142077401	356.5	CIPDVFILAQOQFS-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-144980
CC(COC(=O)C1CCC2C(C1)S2)OC(=O)C1CCC2C(C1)S2	SCHEMBL15701504,PC-id_89399778	356.5	YGSPNAKVJUQBJH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144981
CC(OC(=O)C1CCC2C(C1)S2)COC(=O)C1CC[C@H]2C(C1)S2	SCHEMBL14670916	356.5	YGSPNAKVJUQBJH-XJLUGJDRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-144982
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C1(C2C1CCCC2)C(=O)N(C1CCN(CC1)C)Cc1ccccc1OC	MCULE-1654720672,SYN-20117751,PC-id_46972710,EMOLS-id_30440999	356.502	LLMXNIHECUUSQX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144984
C1(C2C1CCCC2)C(=O)N(Cc1ccc(cc1)OC)C1CCN(CC1)C	SYN-20117698,PC-id_46972708,EMOLS-id_30440995,MCULE-6126338714	356.502	WPTAPHDKNNHVOQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-144985
Cc1ccccc1OCCCN1CCN(CC1)C(=O)C1C2C1CCCC2	PC-id_90168216	356.502	IHHUGWIAAMRIOA-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-144986
C/C(=C/1[C@H]2[C@@H](CC1=O)C2(C)C)/NCCN/C(=C
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C[C@H](NC(=O)N1CCC(c2ccccc2CO)CC1)[C@@]12CCCC[C@H]1C2	ZINC22_1875356468	356.502	LOKIXSYYKDZNCL-BPXKWBHBSA-N	00100000000010110000110000000000000000000000000000000000	22-01-144988
C[C@H](NC(=O)N1CCC(c2ccccc2CO)CC1)[C@]12CCCC[C@@H]1C2	ZINC22_1875356469	356.502	LOKIXSYYKDZNCL-DKZVUGQWSA-N	00100000000010110000110000000000000000000000000000000000	22-01-144989
C[C@H](NC(=O)N1CCC(c2ccccc2CO)CC1)[C@@]12CCCC[C@@H]1C2	ZINC22_1875356470	356.502	LOKIXSYYKDZNCL-NBCNXNJRSA-N	00100000000010110000110000000000000000000000000000000000	22-01-144990
C[C@H](NC(=O)N1CCC(c2ccccc2CO)CC1)[C@]12CCCC[C@H]1C2	ZINC22_1875356471	356.502	LOKIXSYYKDZNCL-XWFZLUIHSA-N	00100000000010110000110000000000000000000000000000000000	22-01-144991
CC(N1CC2C(C1)C2CNC(=O)[C@@](c1ccccc1)(C1CCCC1)O)C	PC-id_69309723,SCHEMBL5096708	356.502	XAQLZINZTWJFIJ-YMEUWNJXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144992
CC(N1CC2[C@H](C1)[C@H]2CNC(=O)[C@@](c1ccccc1)(C1CCCC1)O)C	SCHEMBL4145250	356.502	XAQLZINZTWJFIJ-AWNUYDFWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-144993
CC(NC1C2C1CN(C2)C(=O)C(c1ccccc1)(C1CCCCC1)O)C	PC-id_11696131,SCHEMBL3614723	356.502	MGVABICTWWEASJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144994
CCN(C1CCCNC1)Cc1cccc(c1)OC1=C(OC)CCC2C1C2	PC-id_142240055	356.502	CVFBCSBUTMAPGO-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-144995
CCNCC1C2C1CN(C2)C(=O)C(c1ccccc1)(C1CCCCC1)O	PC-id_11501314,SCHEMBL3610437	356.502	PDICLAJLRATIOO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144996
C/C(=N/CC/N=C(C)/C1=C(O)C[C@@H]2[C@H]1C2(C)C)/C1=C(O)C[C@@H]2[C@H]1C2(C)C	EMOLS-id_317497621,ZINC22_1772492248	356.502	HPPIFYXXALWQCW-DBUSBHSZSA-N	00100011000000000000010000000000000000000000000000000000	22-01-144997
CCOc1ccc(cc1)C(N1CCCC1)CNC(=O)C1C2C1CCCC2	PC-id_46958004,LEG-20120613	356.502	JEUZIENIYSPCEL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-144998
[C@H]12C(=C(C[C@H]1C2(C)C)O)C(=NCCN=C(C)C1=C(O)C[C@H]2C(C)(C)[C@@H]12)C	MCULE-5428777617	356.502	HPPIFYXXALWQCW-UYVJDWJCSA-N	00100011000000000000010000000000000000000000000000000000	22-01-144999
[C@H]12C(=C(C)NCCNC(=C3C(=O)C[C@H]4C(C)(C)[C@@H]34)C)C(=O)C[C@H]1C2(C)C	MCULE-5236026872,PC-id_51398241	356.502	RDFNRVHPWNOKND-UYVJDWJCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145000
CN(C1C2C1CN(C2)C(=O)C(C1CCCCC1)(Cc1ccccc1)O)C	PC-id_143230433	356.502	DQTHVHUBHWWYID-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145001
CNCC1C2C1CN(C2)C(=O)C(c1ccc(cc1)C)(C1CCCCC1)O	SCHEMBL3607924,PC-id_11515958	356.502	LNXWBCKAGUGSAJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145002
COc1ccccc1[C@H](CNC(=O)[C@]12CCCC[C@H]1C2)N1CCCCC1	ZINC22_1464337616	356.502	RRIPOPGXVYHAKI-JLMWRMLUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145003
COc1ccccc1[C@H](CNC(=O)[C@@]12CCCC[C@H]1C2)N1CCCCC1	ZINC22_1464337618	356.502	RRIPOPGXVYHAKI-LQBOVUBWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145004
COc1ccccc1[C@H](CNC(=O)[C@]12CCCC[C@@H]1C2)N1CCCCC1	ZINC22_1464337623	356.502	RRIPOPGXVYHAKI-LZNRXBQRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145005
COc1ccccc1[C@H](CNC(=O)[C@@]12CCCC[C@@H]1C2)N1CCCCC1	ZINC22_1464337627	356.502	RRIPOPGXVYHAKI-ZWCUEREDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145006
COc1ccccc1CN(C(=O)C1[C@H]2CCCC[C@@H]12)C1CCN(C)CC1	PC-id_51598846,ZINC22_19588148	356.502	LLMXNIHECUUSQX-PMSBKCLSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145007
COc1ccccc1CN(C(=O)C1[C@@H]2CCCC[C@@H]12)C1CCN(C)CC1	PC-id_98138480,ZINC22_100773956	356.502	LLMXNIHECUUSQX-RTBURBONSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145008
COc1ccccc1CN(C(=O)C1[C@H]2CCCC[C@H]12)C1CCN(C)CC1	ZINC22_100773949,PC-id_98138479	356.502	LLMXNIHECUUSQX-OALUTQOASA-N	00100000000010110000010000000000000000000000000000000000	22-01-145009
COc1ccccc1CN(C(=O)[C@@H]1[C@H]2CCCC[C@@H]12)C1CCN(C)CC1	CoCoCo_499025,ZINC22_248125659,CoCoCo_499026	356.502	LLMXNIHECUUSQX-KXTWHKPSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145010
COc1ccc(cc1)CN(C(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)C1CCN(CC1)C	CoCoCo_499016,CoCoCo_499015	356.502	WPTAPHDKNNHVOQ-WKCHPHFGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145011
COc1ccccc1CN(C(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)C1CCN(CC1)C	CoCoCo_499028,CoCoCo_499027	356.502	LLMXNIHECUUSQX-CEQLMSFQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145012
COc1ccc(CN(C(=O)C2[C@H]3CCCC[C@H]23)C2CCN(C)CC2)cc1	ZINC22_100773937,PC-id_98138477	356.502	WPTAPHDKNNHVOQ-PMACEKPBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145013
COc1ccc(CN(C(=O)C2[C@@H]3CCCC[C@@H]23)C2CCN(C)CC2)cc1	ZINC22_100773942,PC-id_98138478	356.502	WPTAPHDKNNHVOQ-WOJBJXKFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145014
COc1ccc(CN(C(=O)C2[C@H]3CCCC[C@@H]23)C2CCN(C)CC2)cc1	ZINC22_19588137,PC-id_51598844	356.502	WPTAPHDKNNHVOQ-WCRBZPEASA-N	00100000000010110000010000000000000000000000000000000000	22-01-145015
COc1ccc(CN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)C2CCN(C)CC2)cc1	CoCoCo_499013,CoCoCo_499014,ZINC22_248158939	356.502	WPTAPHDKNNHVOQ-AERCQKQUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145016
O=C1C(C2C(C2C1)(C)C)/C(=N/CC/N=C(/C1C2C(C2CC1=O)(C)C)C)/C	PC-id_78443244	356.502	NMKYMBWMXSMQEU-ASIDMNOUSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145017
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OC1=C(C(=NCCN=C(C2=C(O)CC3C2C3(C)C)C)C)C2C(C1)C2(C)C	CNP0448437	356.502	HPPIFYXXALWQCW-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-145021
O(CC1C2C1CN(C2)C(=O)c1ccccc1)CCCCN1CCCCC1	PC-id_11581220	356.502	XMSMTTBNPDWEDK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145022
O=C(C1[C@@H]2[C@H]1CCCC2)N1CCN(CC1)CCCOc1ccccc1C	SCHEMBL15730864	356.502	IHHUGWIAAMRIOA-PMSBKCLSSA-N	00100000000010110001010000000000000000000000000000000000	22-01-145023
O(C(C(=O)NC1C2C1CN(C2)CC)(C1CCCCC1)c1ccccc1)C	PC-id_9975570	356.502	AZOVYLXIWHIXQW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145024
OC(C(=O)NCC1C2C1CN(C2)C(C)C)(C1CCCC1)c1ccccc1	PC-id_11439710	356.502	XAQLZINZTWJFIJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145025
O[C@@](C(=O)NCC1C2[C@@H]1CN(C2)C(C)C)(C1CCCC1)c1ccccc1	PC-id_68930594	356.502	XAQLZINZTWJFIJ-ZKNLVJASSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145026
O=C(N1CC2C(C2CN(CC2CCOCC2)CC)C1)c1c(cccc1)C	PC-id_76439181	356.502	XJVBVYFQJBYKRE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145027
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[C@H]12CN(C[C@H]1[C@@H]2CN(C)C)C(=O)c1ccc(cc1)CN1CCN(CC1)C	MCULE-2156221396,EMOLS-id_55607684	356.505	NDNQAWYFCCXUOL-OWZKRDHZSA-N	00100010000010110001010000000000000000000000000000000000	22-01-145032
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O1C2(C1C(=CN=C2CN(CCCCN)Cc1ncccc1C(C)C)C)C	PC-id_25176806	356.505	MSPMAHHAOJZLRB-UHFFFAOYSA-N	00100000000011101000010000000000000000000000000000000000	22-01-145034
O=C(N1CC2C(C2CN2CCN(CC2)c2c(C)cncc2)C1)CCCC	PC-id_76424852	356.505	FGDFNZPDYFWKOQ-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-145035
O=C(N1C[C@H]2[C@H](C2CN2CCN(CC2)c2c(C)cncc2)C1)CCCC	PC-id_56890239	356.505	FGDFNZPDYFWKOQ-YQQQUEKLSA-N	00100010000010101001110000000000000000000000000000000000	22-01-145036
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CCP(=C)CP(=C)C(C[C@]12[C@@H](C)C([C@@H]([C@H]1C2(C)C)C)(C)C)(C)C	SCHEMBL13529156	356.506	MNCXLQYSNXLMBC-JJDSTIRJSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145038
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CCCCNCCN1CCN(CCCC)P2N(CC1)C2CCCC	PC-id_117754804	356.529	XCKKDECOTYSAAZ-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-145040
CCCCNCCN1CCN(CCCC)P2[N@](CC1)C2CCCC	SCHEMBL16312960	356.529	XCKKDECOTYSAAZ-PAHOBDAQSA-N	00100000000000000101010000000000000000000000000000000000	22-01-145041
CCO[Si](OCC)(OCC)CCCOC(=O)C(=C)C12CCCC2C1	SCHEMBL13688379,PC-id_59702397	356.529	YWEJYKKQNNXHRE-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145042
[Si](OC(C1C2(OC2CC(C1)C(=O)C)C)C(=O)OC)(C(C)(C)C)(C)C	PC-id_72970983	356.529	UVEREQLAMBMTGW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145043
[Si](O[C@H]([C@H]1[C@]2(O[C@H]2C[C@@H](C1)C(=O)C)C)C(=O)OC)(C(C)(C)C)(C)C	PC-id_11462446	356.529	UVEREQLAMBMTGW-SUKQMUEJSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145044
[Si](C12OC1(C2)C(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_10406004	356.532	VESHIWKUUIECNT-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-145045
CC(OC(OC(OC(C)(C)C)(C)C)(CCC1CCC2C(C1)O2)C)(C)C	SCHEMBL16750318,PC-id_118103558	356.54	LVTGDWILYYGQKK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145046
C1CCCCCC2C(C2=C=C(c2ccccc2)c2ccccc2)CCCC1	PC-id_135013421	356.543	KTKYBXWCPOYTDN-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145047
C1CCCCCCCC[C@@H]2[C@H](C1)C2=C=C(c1ccccc1)c1ccccc1	PC-id_101184393	356.543	KTKYBXWCPOYTDN-PLQXJYEYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145048
C1CCCCCCCC[C@H]2[C@H](C1)C2=C=C(c1ccccc1)c1ccccc1	PC-id_101184396	356.543	KTKYBXWCPOYTDN-DQEYMECFSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145049
C1CCCCCCCC[C@@H]2[C@@H](C1)C2=C=C(c1ccccc1)c1ccccc1	PC-id_101184397	356.543	KTKYBXWCPOYTDN-JWQCQUIFSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145050
CC(C)(COC(=O)C1CCC2C(C1)S2)OCC1CCC2C(C1)S2	SCHEMBL15701509,PC-id_90144574	356.543	YMWCISMCAVWRBR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145051
Cc1cc(CN2C[C@@H]3[C@H](C2)C3COCCCN2CCCCC2)cc(c1)C	PC-id_11639007,SCHEMBL5908113	356.545	SILFFEKUCHZFIY-AIZNXBIQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145052
Cc1cc(CN2C[C@@H]3[C@H](C2)[C@H]3COCCCN2CCCCC2)cc(c1)C	SCHEMBL5795718	356.545	SILFFEKUCHZFIY-JKHIJQBDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145053
Cc1cc(CN2C[C@@H]3[C@H](C2)[C@@H]3COCCCN2CCCCC2)cc(c1)C	SCHEMBL5795719	356.545	SILFFEKUCHZFIY-NUNAXRQHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145054
CCc1ccc(cc1)CN1C[C@@H]2[C@H](C1)C2COCCCN1CCCCC1	PC-id_11639006,SCHEMBL5908121	356.545	UPTGSGIVSSUKSX-AIZNXBIQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145055
CCc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@H]2COCCCN1CCCCC1	SCHEMBL5820304	356.545	UPTGSGIVSSUKSX-JKHIJQBDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145056
CCc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@@H]2COCCCN1CCCCC1	SCHEMBL5820307	356.545	UPTGSGIVSSUKSX-NUNAXRQHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145057
O(CC1C2C1CN(C2)Cc1ccc(cc1)CC)CCCN1CCCCC1	PC-id_73038344	356.545	UPTGSGIVSSUKSX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145058
O(CC1C2C1CN(C2)Cc1cc(cc(c1)C)C)CCCN1CCCCC1	PC-id_73038345	356.545	SILFFEKUCHZFIY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145059
[Si](OC1C2C(OC(C1)(C)C)(C2)C(=O)OCCCC)(C(C)(C)C)(C)C	PC-id_85322534	356.572	DOXZZTRHFZCMPU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145060
[Si](OC1CC2(OC2(C(C1)(C)C)CCOC(=O)C)C)(C(C)(C)C)(C)C	PC-id_85241941	356.572	UQPGJDJMIKENIG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145061
[Si](O[C@@H]1C[C@]2(O[C@]2(C(C1)(C)C)CCC(=O)OC)C)(C(C)(C)C)(C)C	PC-id_72697219	356.572	PHRWLBLABWKANK-KYNGSXCRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145062
[Si](O[C@@H]1C[C@]2(O[C@]2(C(C1)(C)C)CCOC(=O)C)C)(C(C)(C)C)(C)C	PC-id_10713302	356.572	UQPGJDJMIKENIG-IPELMVKDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145063
[Si](O[C@@H]1C[C@@]2(O[C@@]2(C(C1)(C)C)CCOC(=O)C)C)(C(C)(C)C)(C)C	PC-id_10713303	356.572	UQPGJDJMIKENIG-ZYSHUDEJSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145064
[Si](O[C@@H]1[C@H]2[C@@](OC(C1)(C)C)(C2)C(=O)OCCCC)(C(C)(C)C)(C)C	PC-id_10937200	356.572	DOXZZTRHFZCMPU-DOXZYTNZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145065
CCCC(C(C)C)CC1=CC=C(C2C1C2)OC(C1CCC=CC1)(CC)C	PC-id_144905271	356.584	VOCBKLVELQYVTE-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-145066
CCCC/C(=C/C(C(=C)CC[C@H](C/C(=C/C1CCC2C(C1)C2)/C)C)C)/C	PC-id_142379997	356.628	GFTPEGGRKFBYHI-DYUVFGBJSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145067
O=C(N(c1nc(Br)ccc1C1CC1)Cl)[C@H]1NC[C@@H]2[C@H]1C2	PC-id_140318897	356.645	ZMLDDCLSNYAEMK-UISBYWKRSA-N	00100010000000101000110000000000000000000000000000000000	22-01-145068
CCCCCCSCC1CC2CC2CC1CSCCCCCC	PC-id_143250440	356.672	HGPGFQQXVOPBOF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145069
[Si](C(CCC1CC2OC2CC1)(C(O[Si](C)(C)C)(C)C)C)(C)(C)C	PC-id_20662845	356.691	FUTGHRVXEAPLHX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145070
[Si](OC12C(O[Si](C)(C)C)(C1)CCCCCCCCCC2)(C)(C)C	PC-id_13201981	356.691	OQQOCTUQNZWHAW-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-145071
CCCNC(C1C2C1CCC2)Cc1ccc(cc1Cl)Br	PC-id_105037749	356.728	HSCAGQXVTFYVDV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145072
CCCNC(C1CC2C(C1)C2)Cc1ccc(cc1Cl)Br	PC-id_105037693	356.728	AYQYSQAYZILVND-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145073
CCCNCC1(CC2C(C1)C2)Cc1ccc(cc1Cl)Br	PC-id_116078423	356.728	SRFBOBAVUINOKF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145074
CCNC(C1C2C1CCCC2)Cc1ccc(cc1Cl)Br	PC-id_105037677	356.728	XWLDMEXKPOLKSA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145075
CC(NCC1(CC2C(C1)C2)Cc1ccc(cc1Cl)Br)C	PC-id_116078424	356.728	FOJRSJNUZIQHLZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145076
Clc1c(F)c([C@H](NC(=O)[C@H]2N([C@H]3[C@H](C3)C2)C(=O)O)COC)ccc1	SCHEMBL12480448,PC-id_68283945	356.777	CRLFPEFHKJLKQR-STRQVWJDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145077
Clc1c(F)c(C(NC(=O)C2N(C3C(C3)C2)C(=O)O)COC)ccc1	PC-id_77462632	356.777	CRLFPEFHKJLKQR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145078
CCc1c2c(c(c(c1Br)Br)Br)O2	PC-id_87642355,SCHEMBL4259092	356.837	DQKFXBMUCPHWRX-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-145079
CC(=CCC1CCC2C(C1)O2)C(=O)OC(CC=C(C)C(=O)O)CCl	PC-id_91461704	356.841	NCQSYFFPVMDZLG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145080
ClN1CC2C(C2CNC(=O)C(O)(c2ccccc2)c2ccccc2)C1	PC-id_11624614	356.846	QDBSKFJLVAKJOL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145081
COc1cccc(c1)C(c1ccccc1Cl)NC(=O)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_319209883	356.846	PMUCKJVWHORJGJ-IJCTXODHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145082
Clc1ccccc1CO[C@@H]1CCC([C@H]2[C@]1(C)O2)(C)Cc1ccccc1	PC-id_139958568	356.886	SXXRRAZPCYMKOP-IUPYZPJSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145083
CC1(C2C1C(N(C2)C(=O)C(C1(CCCCC1)C)NCl)C(=O)OC)C	PC-id_89244004	356.887	LIJHYUMQDOQNBI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145084
ClN[C@@H](C1(C)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)OC)C2(C)C	SCHEMBL14086331	356.887	LIJHYUMQDOQNBI-XDQVBPFNSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145085
CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@]3(C[C@]3(C2)Br)C=O	PC-id_162367455	357.003	YJCTYEFDJGMAQN-UONOGXRCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145086
CC(C)(C)OC(=O)N1CCOC2C1C2(Br)Br	EMOLS-id_313491889,MCULE-5872107841	357.039	SVVTTWVEAORBRF-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-145087
C1[C@H]([C@@]([C@H]2C1[C@@]2(C(=O)N)F)(C#N)N)OCc1cc(c(cc1)Cl)Cl	PC-id_164095030	357.045	XJMVDVMFQOSZDL-GRZVBXMASA-N	00100010000010110000010000000000000000000000000000000000	22-01-145088
C1=CC(=C(C=C1SC[C@@H]2[C@H]([C@H]3[C@@H]([C@H]3[C@@]2(C(=O)[O-])N)C(=O)[O-])O)F)F	PC-id_153700067	357.049	PVCLSZDVATUGHR-XJDZXMJWSA-L	00100010000010110000010000000000000000000000000000000000	22-01-145089
CC1=C(OC(=O)O1)COC(=O)NC2(CCC3C2(C3C(=O)[O-])F)C(=O)[O-]	PC-id_153930941	357.051	MWSMOWGRHBYMKA-UHFFFAOYSA-L	00100010100010000001010000000000000000000000000000000000	22-01-145090
CC(C1C2C1CC(C2)CS(=O)(=O)O)C(=O)NC3=CC=C(C=C3)Cl	PC-id_153517109	357.08	WHCXLTHORFGFNM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145091
CC(C1C2C1CC(C2)OS(=O)(=O)C)C(=O)NC3=CC=C(C=C3)Cl	PC-id_153289081	357.08	DMMHCQWAGAVPIZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145092
CC(C1[C@H]2[C@@H]1CC(C2)OS(=O)(=O)C)C(=O)NC3=CC=C(C=C3)Cl	PC-id_153289073	357.08	DMMHCQWAGAVPIZ-YLJAJMOPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145093
CC(C1[C@H]2[C@@H]1CC(C2)OS(=O)(=O)C)NC(=O)C3=CC=C(C=C3)Cl	PC-id_147679293	357.08	GOUDHAMJIYEEGU-YLJAJMOPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145094
C1C2C1(C2NC(=O)COC3=CC(=C(C=C3)Cl)F)NCCNC(=O)O	PC-id_155253408	357.089	YEAPFDSWVIXDRQ-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-145095
COC(=O)C1=CC=C(C=C1)C2(CC2)NC(=O)C3CCC4CC4N3C(=O)[O-]	PC-id_154193145	357.146	LTAGUJBGXDWHSY-UHFFFAOYSA-M	00100000000010110000110000000000000000000000000000000000	22-01-145096
CCN(C1=CC=CC(=C1)/C(=C/N)/C=N/SC2CC2)C(=C)C34CC3(C4)F	PC-id_155063959	357.167	KNJPBPUIWNNZEC-QUCSAUPBSA-N	00101000000000110000010000000000000000000000000000000000	22-01-145097
CC(C)C(C(=O)N1C2CC2CC1C(=O)NCCSC)NC(=O)OC	PC-id_163898850	357.172	QIAIKGMTJMNJHR-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145098
Brc1ccc(c(c1)N(C(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)O)C)F	PC-id_122439629,SCHEMBL17959558	357.175	MFKQEHNYCGFDOR-DXBFQKDVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145099
O=C([C@@H]1[C@H]2C[C@H]2CN1C(=O)O)NCc1cc(Br)ccc1F	SCHEMBL17959560,PC-id_122439631	357.175	IMQSGKLQQNNIEK-PEXQALLHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145100
CCCCOC(=O)[C@@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)O)O)NC(=O)OC(C)(C)C	PC-id_154174733	357.179	PHYDNYDTXHMJOV-ANFAZTKISA-N	00100010000010000000010000000000000000000000000000000000	22-01-145101
CCCCOC(=O)NC1(C2C(C2C(=O)O)C(C1(CC)CC)O)C(=O)O	PC-id_154453034	357.179	LRMFCPCVKHZNJZ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145102
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NP)C(=O)OC)C	PC-id_146927120	357.182	AEHGXGQKEQTULK-XWLWVQCSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145103
CC(CC1=C(C=C(C=C1)N2C=CC(=NC2=O)N)F)N3CC4C(C3)C4CN	PC-id_154650948	357.196	BHLJTRZUYYJENT-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-145104
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2CCNC(=O)/C=C/C3=CN=CC=C3	PC-id_153560085	357.205	XBPMPPAOQIIURA-IFVXQONWSA-N	00100010000000101000010000000000000000000000000000000000	22-01-145105
CCC(C)(C)C(=O)OCCOCCNC(=O)OCC1CCC2C(C1)O2	PC-id_153307252	357.215	YHAWMPISJPEDLR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145106
CC1(CC=C(C=C1)N=C(/C=CNC=O)NC=O)CCN2CC3C(C2)C3N	PC-id_154650396	357.216	IDWPMJIUFOSLAV-YWEYNIOJSA-N	00100010000011000000010000000000000000000000000000000000	22-01-145107
CN(C(=O)CCOc1ccc(Br)cc1F)[C@H]1[C@@H]2CNC[C@H]12	ZINC22_2325779225	357.218	PEGCDNATLVENMJ-HBYGRHMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145108
CC[C@H](C1[C@H]2[C@H]1CC(C2)OCC3CCOCC3)C4=CC=CC=C4C(=O)N	PC-id_153289076	357.23	AVKSTMKPACBWKL-JUBFADJTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145109
C12CCCCC1C2C(=O)NNC(=O)COc1ccc(cc1Cl)Cl	PC-id_2841753,MCULE-2221640911,CK1922411,EMOLS-id_2014446	357.232	ORPVYBUKBWJCGV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145110
C1[C@H](C2CC2[C@H]1NC(=O)CCl)NC(=O)COc1ccc(cc1)Cl	SCHEMBL20631595,PC-id_137399921	357.232	IMFGIIFHGXWSGO-CLRIEMFWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145111
Clc1c(OCC(=O)NNC(=O)C2[C@@H]3[C@H]2CCCC3)ccc(Cl)c1	PC-id_1378777	357.232	ORPVYBUKBWJCGV-YWXMQNBFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145112
ClCC(=O)NC1CC(C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_142513622	357.232	IMFGIIFHGXWSGO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145113
O=C(COc1ccc(cc1Cl)Cl)NNC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_629418	357.232	ORPVYBUKBWJCGV-QHBPRCKVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145114
O=C(COc1ccc(cc1Cl)Cl)NNC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2	CoCoCo_629419	357.232	ORPVYBUKBWJCGV-HBYGRHMLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145115
O=C(N1CC2C(C1)C2NCc1ccc(o1)Br)OC(C)(C)C	PC-id_107238663	357.243	CFTQICFKSZJYQS-UHFFFAOYSA-N	00100010101000000000010000000000000000000000000000000000	22-01-145116
O=C(N1CC2C(C1)C2NCc1occc1Br)OC(C)(C)C	PC-id_107238799	357.243	DZMQNEBUBXHRTG-UHFFFAOYSA-N	00100010101000000000010000000000000000000000000000000000	22-01-145117
CCCCO[Si](OCCCC)OCC(CC)CC1CCC2C(C1)O2	PC-id_153320823	357.246	LJQNASINXPDUFT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145118
BrCC(C1CC(OCc2ccccc2F)C2(C(C1)O2)C)C	PC-id_88238960,SCHEMBL8026257	357.258	FUUJFNZIARXRPS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145119
Br[C@]12CCC(=O)[C@@]1(S(=O)(=O)c1c(cc(cc1C)C)C)C2	CT-id_4113544,PC-id_134832814	357.263	IQFFRUUVYXLKGV-GJZGRUSLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145120
CC(C)C1C2C(O2)NC(C(=O)N1)CCCCN(CC(C)O)CC(C)O	PC-id_163675604	357.263	JGKYIBXUUDUQLL-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-145121
Clc1cc(C(=O)OCCC(C2CC3OC3(CC2)C)C)cc(Cl)c1	PC-id_57166406	357.271	SWOPVAIPWGLQDG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145122
Clc1ccc(c(c1)Cl)CNC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_107238358	357.275	WFRCHFWJQDQRKY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145123
Clc1ccc(c(c1)CNC1C2C1CN(C2)C(=O)OC(C)(C)C)Cl	PC-id_108389303	357.275	QJJLQZHHFZLCFF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145124
Clc1cc(CNC2C3C2CN(C3)C(=O)OC(C)(C)C)cc(c1)Cl	PC-id_107238732	357.275	RYQNGMSERCQBTM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145125
O=C(N1CC2C(C1)C2NCc1ccc(c(c1)Cl)Cl)OC(C)(C)C	PC-id_107238535	357.275	SBSWVAOFCHITRE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145126
O=C(N1CC2C(C1)C2NCc1cccc(c1Cl)Cl)OC(C)(C)C	PC-id_107238595	357.275	KYQZGLKNXHCBKR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145127
O=C(N1CC2C(C1)C2NCc1c(Cl)cccc1Cl)OC(C)(C)C	PC-id_107238354	357.275	JVYMWVZVXYIJCU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145128
Clc1ccc(cc1)CN1C(Cc2cccc(c2)Cl)N(C2=C1C2=C)C	PC-id_135269289,SCHEMBL20432457	357.276	RUQORYZBLUSSID-UHFFFAOYSA-N	00110011000000110001010000000000000000000000000000000000	22-01-145129
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)Cc1ccc(cc1)C(F)(F)F	MCULE-3037358648,ZINC22_1704311899,PC-id_135106037,EMOLS-id_317341296	357.281	WIUGVBOMBVOBFU-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145130
CCCCCCCCCCCCCCCCCC(=O)N1C2=CC=CC=C21	PC-id_153922815	357.303	BMIXOMFRMDBPRH-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-145131
NC(=O)C1(CNC(=O)[C@@H]2[C@H]3COC[C@@H]23)CN(c2nnc(C(F)F)o2)C1	ZINC22_1875407660	357.313	FOZWWFUOKFIYGR-JIGDXULJSA-N	00101010100000000001110000000000000000000000000000000000	22-01-145132
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1)c1nnn(C)n1	ZINC22_1704312363,MCULE-7257604230,EMOLS-id_317376629,PC-id_135089318	357.321	AAOHRHTWYGYJMV-IYBDPMFKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145133
OC(=O)CC(c1ccc(cc1)OC(F)(F)F)NC(=O)C1C2C1CCC2	PC-id_120192945,MCULE-7949411748,EMOLS-id_53647685	357.324	KEAOYKDAAFYDTL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145134
P#[P+]O[C@]([C@H]1[C@H]2[C@H](C2(C)C)C[C@H]([C@]1(OP)C#C)C)(C(C)C)C	PC-id_117725279	357.324	BTGDCZBSDLGPMQ-OHHSYYSDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145135
O=C(O)[C@H]1[C@H]2CN(C(=O)c3cnn(CC(F)(F)F)c3C3CC3)CC[C@@H]12	ZINC22_2325798814	357.328	BSYLCOAZXOGOIW-ADEWGFFLSA-N	00100000100010000001110000000000000000000000000000000000	22-01-145136
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CCC(C(=O)N)Nc1nc(Nc2ccc3c(c2)c3=O)c(cc1F)C(=O)N	SCHEMBL18925325	357.339	SOUDLNRIKKGPMA-UHFFFAOYSA-N	00010000000000101000010000000000000000000000000000000000	22-01-145139
O(C(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]2(N)C(=O)OCOC(=O)CC)COC(=O)CC	PC-id_10287417	357.356	UYJFTQYWULDAIJ-BOKHUEBRSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145140
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cccc(c1)C#CC(C)(C)O	EMOLS-id_317348198,MCULE-1180772465,ZINC22_1704302793,PC-id_135096642	357.357	CTXOUJGQNJLJIJ-KDURUIRLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145141
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[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cnn(c2ccccc2OC)c1)C(=O)O	EMOLS-id_317359468,PC-id_135089733,ZINC22_1704310139,MCULE-1883267270	357.361	PHBZOASHPGIHMT-HDICACEKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145143
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1nccn1c1ccc(cc1)OC)C(=O)O	EMOLS-id_317351119,MCULE-4350204786,ZINC22_1704340748,PC-id_135109378	357.361	SYHUXKILZBXNTQ-HDICACEKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145144
O=C(O)[C@H](NCc1cnn(CC(F)(F)F)c1C1CC1)C1C[C@@H]2C[C@H]2C1	ZINC22_2325806813	357.371	ICKLTZHIMGZWTL-COPLHBTASA-N	00100010100010000001110000000000000000000000000000000000	22-01-145145
O=C(O)[C@H](NCc1cnn(CC(F)(F)F)c1C1CC1)C1C[C@H]2C[C@@H]2C1	ZINC22_2325806815	357.371	ICKLTZHIMGZWTL-JTNHKYCSSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145146
O=C(O)[C@H](NCc1cnn(CC(F)(F)F)c1C1CC1)[C@H]1C[C@@H]2C[C@@H]2C1	ZINC22_2325806814	357.371	ICKLTZHIMGZWTL-GFQSEFKGSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145147
O=C(O)[C@@H](NCc1cnn(CC(F)(F)F)c1C1CC1)[C@H]1C[C@@H]2C[C@@H]2C1	ZINC22_2325806816	357.371	ICKLTZHIMGZWTL-OPDFLTKYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145148
C[C@@H]1C[C@@H]2[C@H]([C@@]1(C(=O)OCOC(=O)C1CCCCC1)N)[C@]2(C(=O)O)F	PC-id_137488463,SCHEMBL20730933	357.374	NEESPYKXFNKJPJ-XZSFWYFXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145149
CS(=O)(=O)OC(CNC(=O)OCc1ccccc1)C1C2C(O2)CO1	PC-id_87403365	357.379	OJGZBYPNIHMTOB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145150
O=C(OCc1ccccc1)NC[C@@H]([C@H]1OC[C@H]2[C@@H]1O2)OS(=O)(=O)C	SCHEMBL2543014	357.379	OJGZBYPNIHMTOB-FQUUOJAGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145151
ClC1(Cl)C2(Sc3ccccc3)C1CCCCCCCCCC2	PC-id_10043871	357.381	MAYJLUQUOWNXEX-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145152
ClC1(Cl)CCCCCCCCCC2C1(Sc1ccccc1)C2	PC-id_101628832	357.381	RTHLDPVSTVUHII-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145153
O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)[C@@H]1CC[C@H]2[C@H]1C2(F)F	ZINC22_2325824684	357.394	MIZDYKSEDHGGAQ-HVMFNXBNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145154
O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	ZINC22_2325824685	357.394	MIZDYKSEDHGGAQ-IEWDOMPSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145155
O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)[C@@H]1CC[C@H]2[C@@H]1C2(F)F	ZINC22_2325824686	357.394	MIZDYKSEDHGGAQ-MTHXSQLBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145156
O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)[C@@H]1CC[C@@H]2[C@H]1C2(F)F	ZINC22_2325824687	357.394	MIZDYKSEDHGGAQ-ZSXDVEMLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145157
C1CCC2(C(C1)C2(F)F)CC(=O)Nc1ccccc1Nc1ccncc1	MCULE-2440964496,PC-id_136553832,EMOLS-id_316896249	357.397	UFLFCLSVGKMRAG-UHFFFAOYSA-N	00100000000010111000010000000000000000000000000000000000	22-01-145158
Cc1cnc(c(c1)C)N1CCN(CC1)C(=O)c1c(F)cc2c(c1F)[C@@H]2C	PC-id_71252221,SCHEMBL14686872	357.397	FFZJTWBYVCMINT-CYBMUJFWSA-N	00100000000010101001110000000000000000000000000000000000	22-01-145159
Fc1c2C(c2cc(F)c1C(=O)N1CCN(CC1)c1ncc(cc1C)C)C	PC-id_78054298	357.397	FFZJTWBYVCMINT-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-145160
O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ccccc1N=c1cc[nH]cc1	ZINC22_614255650	357.397	UFLFCLSVGKMRAG-HKUYNNGSSA-N	00100000000010111000010000000000000000000000000000000000	22-01-145161
O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ccccc1N=c1cc[nH]cc1	ZINC22_614255651	357.397	UFLFCLSVGKMRAG-IEBWSBKVSA-N	00100000000010111000010000000000000000000000000000000000	22-01-145162
O=C(C[C@@]12CCCC[C@H]1C2(F)F)Nc1ccccc1N=c1cc[nH]cc1	ZINC22_614255652	357.397	UFLFCLSVGKMRAG-MJGOQNOKSA-N	00100000000010111000010000000000000000000000000000000000	22-01-145163
O=C(C[C@]12CCCC[C@@H]1C2(F)F)Nc1ccccc1N=c1cc[nH]cc1	ZINC22_614255653	357.397	UFLFCLSVGKMRAG-PKOBYXMFSA-N	00100000000010111000010000000000000000000000000000000000	22-01-145164
CCC1(C(C2C(C2C1(C(=O)O)NC(=O)OC(C)(C)C)C(=O)O)O)CC	PC-id_91159420	357.399	VPGQHGQDAYUXEX-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145165
CCC1C(O)C2C(C1(NC(=O)OC(C)(C)C)C(=O)O)(C2C(=O)O)CC	SCHEMBL6790643,PC-id_69896328	357.399	BEMHLTQNBRSMIS-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145166
CCCC(C1C(CO)OC2(C(C1O)N2C(=O)/C=C/C(=O)O)OC)CC	SCHEMBL12646650	357.399	FHDUPBFIYQRTKZ-BQYQJAHWSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145167
CCCC(CC)C1C(OC2(C(C1O)N2C(=O)C=CC(=O)O)OC)CO	PC-id_88941462	357.399	FHDUPBFIYQRTKZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145168
CCOC(=O)C1C2C1C(CC2O)(C(=O)OCC)N(C=O)OC(C)(C)C	PC-id_88042229,SCHEMBL6790647	357.399	MBCHYZLKSPDOJD-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145169
CCOC(=O)C1(NC(=O)OC(C)(C)C)CC(C2C1C2C(=O)OCC)O	SCHEMBL4962759,PC-id_69258859	357.399	DOKJNTZPYQEXHM-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145170
CCOC(=O)C1(NC(=O)OC(C)(C)C)CC(C2C1[C@H]2C(=O)OCC)O	SCHEMBL6905190	357.399	DOKJNTZPYQEXHM-QZPFGJDFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145171
CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)OCC)O	PC-id_15479118,SCHEMBL1088033	357.399	DOKJNTZPYQEXHM-ANFAZTKISA-N	00100010000010000000010000000000000000000000000000000000	22-01-145172
OC1C2C(C2C(=O)O)C(NC(=O)OC(C)(C)C)(C1)C(=O)OC(C)(C)C	PC-id_77214928	357.399	MXTHBBLVJHPEAA-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145173
O[C@H]1[C@H]2C([C@@H]2C(=O)OCC)C(NC(=O)OC(C)(C)C)(C1)C(=O)OCC	PC-id_57140954	357.399	DOKJNTZPYQEXHM-NCBGMXFRSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145174
O[C@@H]1[C@@H]2[C@@H]([C@H]2C(=O)O)[C@@](NC(=O)OC(C)(C)C)(C1)C(=O)OC(C)(C)C	PC-id_66902458,SCHEMBL1087660	357.399	MXTHBBLVJHPEAA-ULICCCQDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145175
Br[C@@H]1C2(C1(C)C=CC(C=C2)(C)C)O[Si](C(C)(C)C)(C)C	PC-id_101209916	357.401	YXPHDLVGEOCLDC-IGEOTXOUSA-N	00100000000000000110010000000000000000000000000000000000	22-01-145176
Br[C@H]1C2(C1(C)C=CC(C=C2)(C)C)O[Si](C(C)(C)C)(C)C	PC-id_101209917	357.401	YXPHDLVGEOCLDC-NVPAJSRCSA-N	00100000000000000110010000000000000000000000000000000000	22-01-145177
CC1(C)C=CC2(C(C=C1)(C2(Br)[Si](C(C)(C)C)(C)C)C)O	PC-id_101209923	357.401	FVUJGPYOGDXFFT-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-145178
Cc1c(C(=O)N2C[C@H]3[C@H](N(C)C(=O)c4ccoc4)[C@H]3C2)ccn1CCO	ZINC22_2325850981	357.404	MHMHQOAZAXSZQV-FVQHAEBGSA-N	00100010111000000000010000000000000000000000000000000000	22-01-145179
CCOc1cc(c(cc1C(=O)N)N=C)/C(=CC)/OC[C@@H]1[C@H]2C[C@H]2C(=O)N1	PC-id_134214192,SCHEMBL19819993	357.404	MFQNNBBBJMBKOS-NMBCPZPFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145180
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)Cc1cccc(OC)c1OCCn1ccnc1	ZINC22_216966433,EMOLS-id_49868842,MCULE-3608059268	357.404	HLHYRCKNIXTMCU-QLPKVWCKSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145181
O=C(CCN1CCOC1=O)Nc1cccc(NC(=O)[C@@H]2[C@H]3CCC[C@@H]23)c1	ZINC22_2325874422	357.404	MGJGWOWYDRKHTI-QLPKVWCKSA-N	00100010000010110001010000000000000000000000000000000000	22-01-145182
OC(=O)C1[C@H]2[C@@H]1CN(C2)Cc1c(OCCn2ccnc2)c(OC)ccc1	PC-id_77079971	357.404	HLHYRCKNIXTMCU-FKEKPDDDSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145183
Cc1c(nc(nc1NC1C2C1CN(C2)C(=O)OC)C)c1c(onc1C)C	PC-id_90454033	357.407	QVZPDBXACOLRPJ-UHFFFAOYSA-N	00100010100000100001110000000000000000000000000000000000	22-01-145184
COC(=O)N1C[C@@H]2[C@H](C1)[C@H]2Nc1nc(C)nc(c1C)c1c(C)noc1C	SCHEMBL16091505	357.407	QVZPDBXACOLRPJ-VIKVFOODSA-N	00100010100000100001110000000000000000000000000000000000	22-01-145185
CCN1CC[C@H]([C@@H](C1)C(Oc1ccc2c(c1)C2)(O)O)c1ccc(cc1)F	PC-id_140985061	357.419	IHQRAGORTCWSSG-VQTJNVASSA-N	00100000000010110000110000000000000000000000000000000000	22-01-145186
COc1cc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)ccc1OCc1ccc(F)cc1	ZINC22_368351474,MCULE-9221790947,EMOLS-id_316135945	357.419	HFZFCUZOKQJZOA-BWTSREIZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145187
C[C@]1(F)CN(C(=O)[C@@]23CCCC[C@H]2C3)CCN(c2cnc(C#N)cn2)C1	ZINC22_1875405253	357.425	BEXJEHVGDXPPSP-GDIGMMSISA-N	00100000000010100101110000000000000000000000000000000000	22-01-145188
C[C@]1(F)CN(C(=O)[C@]23CCCC[C@H]2C3)CCN(c2cnc(C#N)cn2)C1	ZINC22_1875405254	357.425	BEXJEHVGDXPPSP-KYNGSXCRSA-N	00100000000010100101110000000000000000000000000000000000	22-01-145189
C[C@]1(F)CN(C(=O)[C@@]23CCCC[C@@H]2C3)CCN(c2cnc(C#N)cn2)C1	ZINC22_1875405255	357.425	BEXJEHVGDXPPSP-NIKGAXFTSA-N	00100000000010100101110000000000000000000000000000000000	22-01-145190
C[C@]1(F)CN(C(=O)[C@]23CCCC[C@@H]2C3)CCN(c2cnc(C#N)cn2)C1	ZINC22_1875405256	357.425	BEXJEHVGDXPPSP-ZMYBRWDISA-N	00100000000010100101110000000000000000000000000000000000	22-01-145191
COc1ccccc1c1sc(nc1C(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)N)C2)C	PC-id_68444943,SCHEMBL2929909	357.427	FHKQNXOFRLRNTO-HCKVZZMMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145192
COc1cccc(c1)c1sc(nc1C(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)N)C2)C	SCHEMBL2927469,PC-id_68444025	357.427	UNFCYOFEPWUBJH-KYOSRNDESA-N	00100010100000110001110000000000000000000000000000000000	22-01-145193
COc1nc(c(s1)c1cccc(c1)C)C(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)N)C2	SCHEMBL2930445,PC-id_68445168	357.427	JKWOBBVMECRRQI-BZPMIXESSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145194
COc1nc(c(s1)c1cccc(c1)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N)C2	SCHEMBL3418011,PC-id_68634905	357.427	JKWOBBVMECRRQI-OBJOEFQTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145195
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1cc(OC)ccc1	PC-id_76542615	357.427	UNFCYOFEPWUBJH-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145196
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1c(OC)cccc1	PC-id_76542614	357.427	FHKQNXOFRLRNTO-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145197
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1cc(OC)ccc1	PC-id_57489146	357.427	UNFCYOFEPWUBJH-CORIIIEPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145198
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1c(OC)cccc1	PC-id_57489145	357.427	FHKQNXOFRLRNTO-ITDIGPHOSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145199
s1c(c(nc1OC)C(=O)N1C(C2C(C2)C1)C(=O)N)c1cc(ccc1)C	PC-id_77501261	357.427	JKWOBBVMECRRQI-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145200
CCCC(C(=C)C)C(=O)Nc1ccc(cc1)OC(=O)C1CCC2C(C1)O2	PC-id_89568036,SCHEMBL14949304	357.443	SJKYQMPAKWPYHJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145201
C/C(=CC(=O)NC1=CC(=O)[C@@H]2[C@H](C1=O)O2)/CC/C=C(/CCC=C(C)C)C	PC-id_141823803	357.443	RZICOJXTFIUGPE-KTGJFWHQSA-N	00100000000011000000010000000000000000000000000000000000	22-01-145202
O1C2C1C(=O)C=C(NC(=O)C=C(CCC=C(CCC=C(C)C)C)C)C2=O	PC-id_85074360	357.443	RZICOJXTFIUGPE-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-145203
O1C2C1C(=O)C=C(NC(=O)/C=C(/CC/C=C(/CCC=C(C)C)C)C)C2=O	PC-id_9950636	357.443	RZICOJXTFIUGPE-YFVJMOTDSA-N	00100000000011000000010000000000000000000000000000000000	22-01-145204
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1cccc(c1)S(=O)(=O)C	EMOLS-id_112095365	357.445	WSBJWCSRVLIAKU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145205
CC1CCCC1CC(=O)N1C[C@@H]2[C@H](C1)[C@H]2NC(=O)c1conc1C1CC1	EMOLS-id_317057355,MCULE-5525274681	357.447	OHCKJMJORYRUTH-ALRSZZJFSA-N	00100010100000000001110000000000000000000000000000000000	22-01-145206
CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111161915	357.447	SFUXCNGYSSMKLW-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-145207
C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2[C@H](NC(=O)c3conc3C3CC3)[C@H]2C1	ZINC22_1615058316	357.447	OHCKJMJORYRUTH-OVFFJNQPSA-N	00100010100000000001110000000000000000000000000000000000	22-01-145208
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C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2[C@H](NC(=O)c3conc3C3CC3)[C@H]2C1	ZINC22_1775986890	357.447	OHCKJMJORYRUTH-OQEBYKNKSA-N	00100010100000000001110000000000000000000000000000000000	22-01-145210
C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2[C@H](NC(=O)c3conc3C3CC3)[C@H]2C1	ZINC22_1775986891	357.447	OHCKJMJORYRUTH-PKUGBJFESA-N	00100010100000000001110000000000000000000000000000000000	22-01-145211
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)NC)Cc1ccc(cc1)OCC(=O)N1CCCC1	MCULE-3286293999,EMOLS-id_43102933,ZINC22_102315450	357.447	DKFWWZBJXILJAO-DZFIZOCASA-N	00100010000000110000010000000000000000000000000000000000	22-01-145212
COc1cc(ccc1C)C(=O)N1CCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102212680	357.447	LRMWPVPVPWKMIJ-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-145213
COc1ccc(cc1N1CCCCC1=O)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111851541	357.447	YJUIWZAKJGYZHC-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-145214
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COC1(CNC(=O)C2[C@@H]3CCC[C@@H]23)CN(C(=O)c2nc(C)ccc2C)C1	ZINC22_1875345938	357.447	NIOXNKBENSQFNJ-HUUCEWRRSA-N	00101010000010101000010000000000000000000000000000000000	22-01-145217
COC1(CNC(=O)[C@@H]2[C@H]3CCC[C@@H]23)CN(C(=O)c2nc(C)ccc2C)C1	ZINC22_1875345939	357.447	NIOXNKBENSQFNJ-ZSHCYNCHSA-N	00101010000010101000010000000000000000000000000000000000	22-01-145218
NC(=O)N1CC2C(C1)(C2)CNC(=O)C(c1ccccc1)(C1CCCC1)O	PC-id_143207405	357.447	JSOJXXGEDVSMHS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145219
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O=C(NC)C1[C@@H]2[C@H]1CN(C2)Cc1ccc(OCC(=O)N2CCCC2)cc1	PC-id_56893246	357.447	DKFWWZBJXILJAO-JJTKIYQPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145229
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CC12CC1(C)C(=O)N(CCCCN1CCN(c3ncccn3)CC1)C2=O	CHEMBL60842,PC-id_12840720,BindingDB_PC-id_12840720	357.45	HOVXUUUOOFLCND-UHFFFAOYSA-N	00100010000010100001110000000000000000000000000000000000	22-01-145231
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CCn1cnnc1C(=O)NC1([C@@H]2CCCN2C(=O)C2C[C@@H]3C[C@H]3C2)CC1	ZINC22_1875406962	357.45	PXSKIBRAMWMRKM-YDHLFZDLSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145234
CCn1cnnc1C(=O)NC1([C@H]2CCCN2C(=O)[C@H]2C[C@@H]3C[C@@H]3C2)CC1	ZINC22_1875406959	357.45	PXSKIBRAMWMRKM-LXTVHRRPSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145235
CCn1cnnc1C(=O)NC1([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]3C[C@@H]3C2)CC1	ZINC22_1875406961	357.45	PXSKIBRAMWMRKM-XGUBFFRZSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145236
O=C(N1CC2C(C2CN(Cc2n(ccn2)CC)C)C1)c1c(onc1C)C	PC-id_76425439	357.45	ZBPXXONSUQCQCD-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-145237
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Fc1cc(OCC23CCCCC2C3)c(cc1C(=O)N1CCCC1)C1CC1	SCHEMBL21075116,PC-id_138699473	357.462	IDOPTOVOBNLVMM-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-145239
Cc1ccc(cc1)S(=O)(=O)N1[C@H]2[C@@H]1[C@@H](CCC2)OCc1ccccc1	PC-id_134974525	357.467	FUNDVGSQPCYBLG-YJUWBKPTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145240
C[C@H](C1C2[C@@H]1CNC2)Oc1ccc(cc1)c1ccc(cc1)S(=O)(=O)C	SCHEMBL904128,PC-id_66837639	357.467	IWOYRTNNWDWWLJ-XBOBTTFXSA-N	00100010000000110000110000000000000000000000000000000000	22-01-145241
S(=O)(=O)(c1ccc(c2ccc(OC(C3C4C3CNC4)C)cc2)cc1)C	PC-id_77194761	357.467	IWOYRTNNWDWWLJ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-145242
S(=O)(=O)(N1C2(C1CCCC2)C(O)c1ccccc1)c1ccc(cc1)C	PC-id_72825458	357.467	BVFSCZGYMPXBBS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145243
S(=O)(=O)(N1[C@]2([C@@H]1CCCC2)C(O)c1ccccc1)c1ccc(cc1)C	PC-id_11382750	357.467	BVFSCZGYMPXBBS-JJBAYQRUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145244
S(=O)(=O)(N1[C@@H]2[C@H]1CC[C@H](OCc1ccccc1)C2)c1ccc(cc1)C	PC-id_10089719	357.467	JTUBBYIKECSJGN-NHNNTYDRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145245
S(=O)(=O)(N1[C@H]2[C@@H]1CC[C@H](OCc1ccccc1)C2)c1ccc(cc1)C	PC-id_10247766	357.467	JTUBBYIKECSJGN-YBVXAUJNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145246
O=C(N1CCCC(C1)S(=O)(=O)N1CCOCC1)NC1CC2C(C1)C2	EMOLS-id_102210193	357.468	WVRJEAVZYUPKFE-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-145247
O=C(NC12CC1COC2(C)C)CSc1nccn1Cc1ccccc1	EMOLS-id_278998898	357.47	YNGNYZLVXCZCOZ-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145248
O=C(N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)CCn1c(C)csc1=O	EMOLS-id_320141319,MCULE-8609192918	357.47	YXTANFJTKYPEHS-VQFNDLOPSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145249
O(C12C(C1CCC(C2)C)(C)C)C1N(CCC1)C(=O)COc1ccccc1	PC-id_78055093	357.486	JCIXGACKJZGNNW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145250
O(C12C(C1CCC(C2)C)(C)C)[C@@H]1N(CCC1)C(=O)COc1ccccc1	PC-id_71256521	357.486	JCIXGACKJZGNNW-AOEHZBQJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145251
O(C12C(C1CCC(C2)C)(C)C)[C@H]1N(CCC1)C(=O)COc1ccccc1	PC-id_71256537	357.486	JCIXGACKJZGNNW-MOBAVBJFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145252
Cc1cc(c(c(c1)S(=O)(=O)C)C)S(=O)(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111183844	357.488	XAFMGLZBMYCCKA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145253
Cc1ccccc1CN1CCCN(C(=O)CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)CC1	MCULE-5138469961,ZINC22_366403093,EMOLS-id_316128003	357.49	MKQKXBYYKKVERS-PMOLBWCYSA-N	00100010000000110101010000000000000000000000000000000000	22-01-145254
C[C@@H]1CN(Cc2cccc(CNC(=O)N[C@@H]3CCC[C@@H]4C[C@H]34)c2)CCO1	ZINC22_570677593	357.49	ADVXAECWSCWTQG-GEALJGNFSA-N	00100000000010110001010000000000000000000000000000000000	22-01-145255
C[C@H]1CN(Cc2cccc(CNC(=O)N[C@@H]3CCC[C@@H]4C[C@H]34)c2)CCO1	ZINC22_570677594	357.49	ADVXAECWSCWTQG-JOCLIGHLSA-N	00100000000010110001010000000000000000000000000000000000	22-01-145256
C[C@H]1CN(Cc2cccc(CNC(=O)N[C@H]3CCC[C@@H]4C[C@H]34)c2)CCO1	ZINC22_570677595	357.49	ADVXAECWSCWTQG-LDTOTXGLSA-N	00100000000010110001010000000000000000000000000000000000	22-01-145257
C[C@@H]1CN(Cc2cccc(CNC(=O)N[C@H]3CCC[C@@H]4C[C@H]34)c2)CCO1	ZINC22_570677596	357.49	ADVXAECWSCWTQG-XCLNPWKQSA-N	00100000000010110001010000000000000000000000000000000000	22-01-145258
CC(=O)N1CCN(CC1)CCOCC1C2C1CN(C2)Cc1ccccc1	PC-id_69569140,SCHEMBL5796008	357.49	HHEGYPHQMYVSTO-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-145259
O(CC1C2C1CN(C2)C(=O)Nc1ccc(cc1)C)CCCN1CCCC1	PC-id_69603132,SCHEMBL5908123	357.49	UYADNXSLLHMMNP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145260
O=C(C(c1ccccc1)(C1CCCCCC1)O)NC(C12CNCC2C1)N	SCHEMBL3911657,PC-id_68836120	357.49	UUVUPTWPUOLRSO-UHFFFAOYSA-N	00100010000000110100010000000000000000000000000000000000	22-01-145261
O=C(N1CC2C(C2CN2CCCN(CC2)c2c(cccc2)C)C1)COC	PC-id_76423458	357.49	WFHBFWNUPUUISB-UHFFFAOYSA-N	00100010000000110101110000000000000000000000000000000000	22-01-145262
O=C(N1C[C@@H]2[C@@H](C2CN2CCCN(CC2)c2c(cccc2)C)C1)COC	PC-id_56884700	357.49	WFHBFWNUPUUISB-YQQQUEKLSA-N	00100010000000110101110000000000000000000000000000000000	22-01-145263
O=C(NC1CCC[C@H]2[C@@H]1C2)NCc1cccc(c1)CN1CCOC(C1)C	MCULE-7524639454,PC-id_146076284,EMOLS-id_324035118	357.49	ADVXAECWSCWTQG-IJAXVFOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-145264
O=C(Nc1cc(OC)ccc1)CCC1CCN(CC2[C@H]3[C@@H]2CNC3)CC1	PC-id_72920301	357.49	AUCGQNQUUARJMS-YOFSQIOKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145265
CC(NC(=O)N1CC2C(C1)C2(C)C)CN1CCN(CC1)c1ccccn1	EMOLS-id_99820249	357.493	JGMYGDNBYOGFFF-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-145266
CC1=CC2C(C=C1)(C2)S(=O)(=O)N1CCC[C@H](C1)CC1=CC=CC2C1C2	PC-id_143020508	357.51	CGHGPFSNJXFNHK-DPYIETLKSA-N	00100000000011000000010000000000000000000000000000000000	22-01-145267
O=C(N(C1CC[NH+](CC1)C)Cc1ccc(OC)cc1)C1C2C1CCCC2	PC-id_75682413	357.51	WPTAPHDKNNHVOQ-UHFFFAOYSA-O	00100000000010110000010000000000000000000000000000000000	22-01-145268
O=C(N(C1CC[NH+](CC1)C)Cc1ccc(OC)cc1)C1[C@H]2[C@@H]1CCCC2	PC-id_51598843	357.51	WPTAPHDKNNHVOQ-WCRBZPEASA-O	00100000000010110000010000000000000000000000000000000000	22-01-145269
O=C(N(C1CC[NH+](CC1)C)Cc1c(OC)cccc1)C1C2C1CCCC2	PC-id_75682414	357.51	LLMXNIHECUUSQX-UHFFFAOYSA-O	00100000000010110000010000000000000000000000000000000000	22-01-145270
O=C(N(C1CC[NH+](CC1)C)Cc1c(OC)cccc1)C1[C@H]2[C@@H]1CCCC2	PC-id_51598845	357.51	LLMXNIHECUUSQX-PMSBKCLSSA-O	00100000000010110000010000000000000000000000000000000000	22-01-145271
O=C(C1C2N1CCCCCCCCCCCCCC2)Oc1ccccc1	SCHEMBL7138443,PC-id_54182295	357.529	PCQPUFLYFWNNGX-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145272
[Si]12([Si]C1([Si]([Si](C)(C)C)C(=C(F)C2(F)CC(=C)F)F)F)O	PC-id_68371546	357.552	IZNZSKUJPNZGLQ-UHFFFAOYSA-N	00100000000011000001010000000000000000000000000000000000	22-01-145273
CC(C)(C)OC(=O)N1C(CC2(C1C2)CO)CO[Si](C)(C)C(C)(C)C	PC-id_90020355	357.56	OJTFKMXVAPXPGE-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145274
OC[C@]12C[C@H](N([C@@H]2C1)C(=O)OC(C)(C)C)CO[Si](C(C)(C)C)(C)C	SCHEMBL15542110	357.56	OJTFKMXVAPXPGE-IYOUNJFTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145275
OC[C@]12C[C@H](N([C@@H]2C1)C(=O)OC(C)(C)C)C(O[SiH2]C(C)(C)C)(C)C	SCHEMBL15542111	357.56	DAIFAPRJLZNXFA-JCGVRSQUSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145276
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CCOC(=O)C1N2C(O[Si](C)(C)C)C=C(CC12C)O[Si](C)(C)C	EMOLS-id_317755736	357.593	LBUUAYQCXHIKHM-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-145278
CCCC(C(=C)C(=C)C)CC1N(CC2C1C2(C)C)C(=C)C(C(C)(C)C)C	PC-id_142268624	357.616	RWKUNRVZXDOUSJ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145279
CCCCC(=CC(C(CC)C(C)(C)C)C12CC1C(C(C=C2)[C-](C)C)C)C	PC-id_90937965	357.635	CPDHATGEASAEMT-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-145280
Brc1sc(S(=O)(=O)NC2C3C2CNC3)cc1Cl	PC-id_80577738	357.675	JEZXSQXHWAUSSR-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-145281
CCCOc1ccc(cc1Br)C(C1C2C1CCCC2)Cl	PC-id_104662013	357.713	HHWTVKURWLIFGF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145282
COc1c(C)cc(c(c1C(C1C2C1CCCC2)Cl)C)Br	PC-id_104054102	357.713	BTVMCWDGBONTPE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145283
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)COc1ccc(c(Cl)c1)F	EMOLS-id_317363050,ZINC22_1704310878,PC-id_135096266,MCULE-2051606300	357.718	UZBOEGZNDAZBIZ-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145284
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Clc1cc(SCC2C(N)(C3C(C3C(=O)O)C2O)C(=O)O)ccc1	PC-id_77336322	357.809	QDXNFUUKZKUHIH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145287
Clc1cc(SC[C@H]2[C@](N)([C@H]3[C@H]([C@@H]3C(=O)O)[C@@H]2O)C(=O)O)ccc1	SCHEMBL8764705,PC-id_67685365	357.809	QDXNFUUKZKUHIH-GSTJWYSLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145288
Clc1sc(S(=O)(=O)NC(C2CC3C(C3(F)F)C2)CO)cc1	SCHEMBL2882781,PC-id_11451185	357.824	OSLDXZJYEORDCF-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-145289
Clc1sc(S(=O)(=O)NCC(O)C2CC3C(C3(F)F)C2)cc1	SCHEMBL6272153,PC-id_69728368	357.824	GBTLCPFENGPANO-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-145290
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O=C(NC1[C@H]2CNC[C@H]12)c1nc(=NCCc2ccccc2)[nH]cc1Cl	ZINC22_1875263510	357.837	IFABTENVAQFBMG-STQMWFEESA-N	00100010000000110001010000000000000000000000000000000000	22-01-145292
O=C(N[C@H]1[C@@H]2CNC[C@H]12)c1nc(=NCCc2ccccc2)[nH]cc1Cl	ZINC22_1875263509	357.837	IFABTENVAQFBMG-NHAGDIPZSA-N	00100010000000110001010000000000000000000000000000000000	22-01-145293
COc1cc(C)c(cc1Cl)S(=O)(=O)NC(=O)C1CCC2C(C1)C2	EMOLS-id_112095707	357.852	RMAGAUPPZTUAAD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145294
O=C(N1CC2C(C1)C2(C)C)Nc1ccc(c(c1)Cl)NS(=O)(=O)C	EMOLS-id_111857456	357.856	PQKSBYHCGPIVMR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145295
CC1(OC2C(O2)/C(=C/c2c(ccc(c2)Cl)Br)/C(=O)O1)C	PC-id_163609085	357.961	HEIVBVWQDUBGFP-TWGQIWQCSA-N	00100000000000110101010000000000000000000000000000000000	22-01-145296
C1COCCC1CN1C=C(C2C(O2)C(=C1O)Br)C(=O)N=O	PC-id_163884702	358.016	PWINBSMZASQDOY-UHFFFAOYSA-N	00100000000010000110010000000000000000000000000000000000	22-01-145297
C1CC(=O)N(C2C1O2)OC(=O)C(C(C(=O)ON3C(=O)CCC3=O)O)O	PC-id_147630956	358.065	GFRXVHWJNPITTQ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145298
Brc1c(C(=O)C2C3C2CCC3)cc(Br)c(c1)C	PC-id_81624108	358.068	ZVEGAZGWGKISTH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145299
Brc1c(C(=O)C2CC3C(C3)C2)cc(Br)c(c1)C	PC-id_81468687	358.068	IJQQWUFSNLUOQT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145300
CC(=O)OC[C@H]1O[C@H](C2(C1(OC(=O)C)C2)F)I	PC-id_118909043,SCHEMBL17548654	358.102	TYXQWHQMCSELEH-LGUIWLBCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145301
COC(=O)[C@@]1(F)[C@H]2[C@]1(I)[C@@H](C[C@@H]2O)OC(=O)C	SCHEMBL12810371,PC-id_68383406	358.102	VWIPFPBPBHVKGS-GWUDXMQCSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145302
IC12C(C1(F)C(=O)OC)C(O)CC2OC(=O)C	PC-id_77493380	358.102	VWIPFPBPBHVKGS-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145303
BrC(C1C2C1CCC2)c1c(cc(Br)c(c1)C)C	PC-id_81637817	358.111	VOLQAHPESJGPIV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145304
BrC(C1C2C1CCCC2)Cc1cc(Br)ccc1	PC-id_81637213	358.111	GZZKPFNDQWWNNV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145305
BrC(C1C2C1CCCC2)Cc1ccc(Br)cc1	PC-id_81637713	358.111	FTOUAQDSIUIHJH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145306
BrC(C1CC2C(C2)C1)c1c(cc(Br)c(c1)C)C	PC-id_80469427	358.111	KNCZOFZHQKQGDT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145307
C1C2C(O2)C(C=C1C(=O)O)Oc1ccccc1I	PC-id_89289520	358.129	BUXMVNQMFZIRME-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-145308
OC(=O)C1=C[C@@H]([C@@H]2[C@H](C1)O2)Oc1ccccc1I	SCHEMBL14259509	358.129	BUXMVNQMFZIRME-SDDRHHMPSA-N	00100000000011110000010000000000000000000000000000000000	22-01-145309
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BrC1CC2(OC2CC1Br)CO[Si](C)(C)C	PC-id_71403386	358.142	RELLLDSVIQYCIW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145313
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CCc1ccc(C(=O)NCC2[C@@H]3CN(C(=O)[C@@]4(C)CCC(=O)C4)C[C@@H]23)o1	ZINC22_1875332283	358.431	OHPGWXZAYMEVDP-FTRWYGJKSA-N	00100010101000000000010000000000000000000000000000000000	22-01-145478
CCc1ccc(C(=O)NCC2[C@@H]3CN(C(=O)[C@]4(C)CCC(=O)C4)C[C@@H]23)o1	ZINC22_1875332289	358.431	OHPGWXZAYMEVDP-TWOQFEAHSA-N	00100010101000000000010000000000000000000000000000000000	22-01-145479
CCc1ccc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@]4(C)CCC(=O)C4)C[C@H]23)o1	ZINC22_1875332287	358.431	OHPGWXZAYMEVDP-IHSNIMORSA-N	00100010101000000000010000000000000000000000000000000000	22-01-145480
CCc1ccc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@@]4(C)CCC(=O)C4)C[C@H]23)o1	ZINC22_1875332288	358.431	OHPGWXZAYMEVDP-MFCZKXCZSA-N	00100010101000000000010000000000000000000000000000000000	22-01-145481
COCCC(=O)NCc1cccc(CN(C)C(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]23)c1	ZINC22_1875331345	358.431	GGYCLMWPERDISK-AYOQOUSVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145482
COCCC(=O)NCc1cccc(CN(C)C(=O)[C@@H]2[C@H]3CCC(=O)[C@H]23)c1	ZINC22_1875331346	358.431	GGYCLMWPERDISK-KFKAGJAMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145483
COCCC(=O)NCc1cccc(CN(C)C(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]23)c1	ZINC22_1875331347	358.431	GGYCLMWPERDISK-ZYSHUDEJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145484
COCCC(=O)NCc1cccc(CN(C)C(=O)[C@H]2[C@H]3C(=O)CC[C@@H]23)c1	ZINC22_1875331344	358.431	GGYCLMWPERDISK-ATZDWAIDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145485
NC(=O)N(c1ccc(c(c1)C(=O)C)OCC1CO1)CCC1C2C1CCC2	PC-id_141540378	358.431	QUPTXJWJIKENOP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145486
O(CC1C2C1CN(C2)C(=O)Cc1c(O)c(C2CCCC2)ccc1)C(=O)N	PC-id_68716463,SCHEMBL3619285	358.431	CNNMHPPCYFIFOO-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-145487
O(CC1C2C1CN(C2)C(=O)C(O)(C1CCCC1)c1ccccc1)C(=O)N	PC-id_68716462,SCHEMBL3619281	358.431	BESJOIZZFCGSFF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145488
O(CC1C2C1CN(C2)C(=O)[C@@](O)(C1CCCC1)c1ccccc1)C(=O)N	PC-id_68717290,SCHEMBL3621730	358.431	BESJOIZZFCGSFF-ZHHSLPHTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145489
O=C(C(c1ccccc1)(C1CCCC1)O)N1CC2C(C1)C2CNC(=O)O	SCHEMBL3616007,PC-id_68715175	358.431	QWWVOOZWRAAFMR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145490
O=C(N1CC2C(C1)C2CNC(=O)O)Cc1cccc(c1O)C1CCCC1	PC-id_68715178,SCHEMBL3616012	358.431	GXDDVEBSQVYNOP-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-145491
O=C(N1CC2C(C2N(C)C(=O)O)C1)C(O)(C1CCCC1)c1ccccc1	PC-id_68715176,SCHEMBL3616009	358.431	CKSAHKBCIDTCNQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145492
OC(=O)C1C2C1C(CC2)(NCc1ccc(cc1)N1CCCCC1)C(=O)O	SCHEMBL5691539,PC-id_23295082	358.431	DJZQPLKFDGKFAX-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-145493
OC(=O)C1C2C1CCC2(N(N1CCCCC1)Cc1ccccc1)C(=O)O	PC-id_57223195	358.431	BYPBSBIRFQKOOE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145494
O=C(O)CNC(=O)Cc1ccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1	ZINC22_659130883	358.431	QHGFCJBMZDCOKF-HOTGVXAUSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145495
O=C(O)CNC(=O)Cc1ccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1	ZINC22_659130884	358.431	QHGFCJBMZDCOKF-HZPDHXFCSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145496
O=C(O)CNC(=O)Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@@H]23)cc1	ZINC22_659130885	358.431	QHGFCJBMZDCOKF-MNZLEMJZSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145497
c1(cc(oc1C)C)C(=O)N1C[C@H]2[C@H]([C@@H]2CN(CC)Cc2onc(C)n2)C1	ZINC22_102731652,MCULE-6639095126,EMOLS-id_43158234	358.435	OAGVNWDIYBYKTJ-OSYLJGHBSA-N	00100010101000000001010000000000000000000000000000000000	22-01-145498
Cc1nccc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)C[C@@H]4CCCO4)[C@@H]23)n1	ZINC22_1875345606	358.435	CYXSIPPHROQMIN-LBTBCDHLSA-N	00100010000000100101010000000000000000000000000000000000	22-01-145499
Cc1nccc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)C[C@H]4CCCO4)[C@@H]23)n1	ZINC22_1875345607	358.435	CYXSIPPHROQMIN-LTCOOKNTSA-N	00100010000000100101010000000000000000000000000000000000	22-01-145500
Cc1nccc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)C[C@H]4CCCO4)[C@H]23)n1	ZINC22_1875345608	358.435	CYXSIPPHROQMIN-NONVJHHQSA-N	00100010000000100101010000000000000000000000000000000000	22-01-145501
Cc1nccc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)C[C@@H]4CCCO4)[C@H]23)n1	ZINC22_1875345609	358.435	CYXSIPPHROQMIN-ZZCKCESHSA-N	00100010000000100101010000000000000000000000000000000000	22-01-145502
O=C(N1CC2C(C2CN(CC)Cc2onc(n2)C)C1)c1c(oc(c1)C)C	PC-id_76438429	358.435	OAGVNWDIYBYKTJ-UHFFFAOYSA-N	00100010101000000001010000000000000000000000000000000000	22-01-145503
O=C(N1C[C@H]2[C@H](C2CN(CC)Cc2onc(n2)C)C1)c1c(oc(c1)C)C	PC-id_56909538	358.435	OAGVNWDIYBYKTJ-ALOPSCKCSA-N	00100010101000000001010000000000000000000000000000000000	22-01-145504
C=CC1=CC(C)CN=C1NC12C=CC(=CC1C2)C(=O)C(=N)c1cccnc1	PC-id_143603645	358.436	VACIMPUJSOMKDB-UHFFFAOYSA-N	00100000000011101000010000000000000000000000000000000000	22-01-145505
Cn1nnnc1N1C[C@@]23CCCC[C@]2(CN(C(=O)[C@@H]2[C@H]4COC[C@@H]24)C3)C1	ZINC22_1875405083	358.438	PDUMBBBMTRBQLV-AJRPESIASA-N	00100010100010000001010000000000000000000000000000000000	22-01-145506
Cn1nnnc1N1C[C@]23CCCC[C@@]2(CN(C(=O)[C@@H]2[C@H]4COC[C@@H]24)C3)C1	ZINC22_1875405084	358.438	PDUMBBBMTRBQLV-AYMSOESYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145507
Cn1nnnc1N1C[C@]23CCCC[C@]2(CN(C(=O)[C@@H]2[C@H]4COC[C@@H]24)C3)C1	ZINC22_1875405085	358.438	PDUMBBBMTRBQLV-GNYNYOMASA-N	00100010100010000001010000000000000000000000000000000000	22-01-145508
CCC(c1ccc(cc1)S(=O)(=O)O)(CC1CCCC2C1C2(F)F)C	SCHEMBL14094712,PC-id_59776066	358.443	NOROPNRXDNLJCY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145509
CCCO[C@@H]1C[C@@H]2C(C1C(COC(=O)OC1CCCC(C1)C)O)C2F	PC-id_145386922	358.445	VPZDSJWQDDTAFP-QGBAOXJASA-N	00100010000010000000010000000000000000000000000000000000	22-01-145510
CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)CCc3ccccc3F)[C@H]2C1	ZINC22_1688098692,MCULE-4928494965,EMOLS-id_317056843	358.45	PFLXDYVCOHSCSX-PANQXIRQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145511
CCC[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@H](NC(=O)CCc3ccccc3F)[C@H]2C1	ZINC22_1857530404	358.45	PFLXDYVCOHSCSX-RXBWTVHKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145512
C=CCNC1C2C1CN(C2)C(=O)C(c1ccc(cc1)F)(C1CCCC1)O	SCHEMBL3622097,PC-id_11511785	358.45	BEDDTMBYTMGETM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145513
CC(C)(C)OC(=O)NC12CC1C=CCCCCCS(=O)(=O)NC2=O	PC-id_90863356	358.453	ZNXPVUZCEMYZNO-UHFFFAOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-145514
O=C(N[C@@]12CC2/C=CCCCCCS(=O)(=O)NC1=O)OC(C)(C)C	SCHEMBL13997827	358.453	ZNXPVUZCEMYZNO-IZWQXQNZSA-N	00100000000000000111010000000000000000000000000000000000	22-01-145515
O=C(N[C@@]12C[C@H]2/C=CCCCCCS(=O)(=O)NC1=O)OC(C)(C)C	SCHEMBL13521426	358.453	ZNXPVUZCEMYZNO-LHPGRMCESA-N	00100000000000000111010000000000000000000000000000000000	22-01-145516
S1(=O)(=O)NC(=O)[C@]2(NC(=O)OC(C)(C)C)C(C2)C=CCCCCC1	PC-id_58836461	358.453	ZNXPVUZCEMYZNO-PVQCJRHBSA-N	00100000000000000111010000000000000000000000000000000000	22-01-145517
S1(=O)(=O)NC(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H](C2)C=CCCCCC1	PC-id_58655237	358.453	ZNXPVUZCEMYZNO-MLGOLLRUSA-N	00100000000000000111010000000000000000000000000000000000	22-01-145518
Cc1cc(cc(c1)c1cnc(s1)C(CC1CC2C(C1)C2C(=O)O)O)N	PC-id_90103579,SCHEMBL15650415	358.455	ZJYPTHIGKPMGOK-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-145519
Cc1cc(cc(c1)c1cnc(s1)C(CO)C1CC2C(C1)C2C(=O)O)N	SCHEMBL15650413,PC-id_90103578	358.455	WWWXFUOUFNICQV-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-145520
Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111167000	358.455	NNUZZEGKXLUQTJ-UHFFFAOYSA-N	00100010110000110000010000000000000000000000000000000000	22-01-145521
Cc1cc(N)cc(c1)c1cnc(s1)C(C1CC2C(C1)C2C(=O)O)(O)C	SCHEMBL17076876,PC-id_118365739	358.455	DOMHKXHWTWOSDJ-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-145522
COc1cc(ccc1OCc1cscn1)C(=O)NC1CCC[C@@H]2[C@H]1C2	PC-id_121565109,EMOLS-id_75996274,MCULE-5032039475	358.455	JDLSOGSDOQMSCF-PNMZXMJCSA-N	00100000100010110001010000000000000000000000000000000000	22-01-145523
COc1cc(C(=O)N[C@@H]2CCC[C@H]3C[C@@H]23)ccc1OCc1cscn1	ZINC22_241121724	358.455	JDLSOGSDOQMSCF-APHBMKBZSA-N	00100000100010110001010000000000000000000000000000000000	22-01-145524
COc1cc(C(=O)N[C@H]2CCC[C@H]3C[C@@H]23)ccc1OCc1cscn1	ZINC22_241121725	358.455	JDLSOGSDOQMSCF-MAZHCROVSA-N	00100000100010110001010000000000000000000000000000000000	22-01-145525
S(=O)(=O)(c1cc2-c(c2)c1OC)c1ccc(C2N(CCNC2)CC)cc1	PC-id_70136944	358.455	UUQGDNIYWAREEG-UHFFFAOYSA-N	00110010100010110001110000000000000000000000000000000000	22-01-145526
S(=O)(=O)(N1CC(N(CC1)CC)c1ccccc1)c1cc2-c(c2)c1OC	PC-id_70138601	358.455	UJGITGJFFVWJLO-UHFFFAOYSA-N	00110010100010110001110000000000000000000000000000000000	22-01-145527
Cc1sccc1C(=O)N1C[C@H]2C(CNC(=O)CCc3cn[nH]c3)[C@@H]2C1	ZINC22_1875361112	358.458	PNDBDUQYTUXUGD-HOTGVXAUSA-N	00100010100100000001010000000000000000000000000000000000	22-01-145528
Cc1sccc1C(=O)N1C[C@@H]2C(CNC(=O)CCc3cn[nH]c3)[C@H]2C1	ZINC22_1875361114	358.458	PNDBDUQYTUXUGD-HZPDHXFCSA-N	00100010100100000001010000000000000000000000000000000000	22-01-145529
Cc1sccc1C(=O)N1C[C@H]2[C@H](CNC(=O)CCc3cn[nH]c3)[C@H]2C1	ZINC22_1875361115	358.458	PNDBDUQYTUXUGD-PHZGNYQRSA-N	00100010100100000001010000000000000000000000000000000000	22-01-145530
CC(C)(c1ccccc1)c1nnc(NC(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)s1	EMOLS-id_320390720,MCULE-8072523738,ZINC22_366595364	358.458	GGFAPRILXWZNHX-WDNDVIMCSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145531
OCC1[C@@H]2[C@H]1CN(C2)C(=O)Nc1nnc(s1)C(c1ccccc1)(C)C	PC-id_139010749	358.458	GGFAPRILXWZNHX-PBWFPOADSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145532
CCCOCCC[Si](Oc1cccc2c1O2)(Oc1cccc2c1O2)C	PC-id_141198733	358.46	QHIJHKSHJHCGRO-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-145533
CC1CC2OC2CC1COc1cccc(c1)OCC1CC2OC2CC1C	SCHEMBL12852094,PC-id_59390536	358.471	IVPPMONQVZKJLQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145534
CC1=C[C@H](OC(=O)c2ccccc2)[C@H](C(C)C)[C@H](O)C[C@@]2(C)O[C@@H]2CC1	ZINC22_1543357006	358.471	LJBSCFGBDJEORR-AIYVTKCESA-N	00100000000000110110010000000000000000000000000000000000	22-01-145535
CC1=C[C@H](OC(=O)c2ccccc2)[C@H](C(C)C)[C@H](O)C[C@]2(C)O[C@@H]2CC1	ZINC22_1543357007	358.471	LJBSCFGBDJEORR-BEZXDORVSA-N	00100000000000110110010000000000000000000000000000000000	22-01-145536
CC1=C[C@H](OC(=O)c2ccccc2)[C@H](C(C)C)[C@H](O)C[C@]2(C)O[C@H]2CC1	ZINC22_1543357008	358.471	LJBSCFGBDJEORR-QWPXSNKBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-145537
CC1=C[C@H](OC(=O)c2ccccc2)[C@H](C(C)C)[C@H](O)C[C@@]2(C)O[C@H]2CC1	ZINC22_1543357009	358.471	LJBSCFGBDJEORR-VRRLNDPFSA-N	00100000000000110110010000000000000000000000000000000000	22-01-145538
CC(C1/C=CC(COCOCc2ccccc2)CC2C(C(=O)CC1)O2)C	SCHEMBL10756504	358.471	VTKLDVDJIVOLSV-HJWRWDBZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-145539
CCCCCC=C[C@@]12C[C@@H]1CC(C2Cc1cccc(c1)OCC(=O)O)O	SCHEMBL11727030,PC-id_53675149	358.471	BCQKAPFPRPVXAU-JJHAYVRDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145540
CCCCC/C=C/C1C2C1CC(C2Cc1cccc(c1)OCC(=O)O)O	SCHEMBL11744833,PC-id_21329535	358.471	LRSRVLDDIJGTCD-UXBLZVDNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145541
CCCCCC=CC1[C@@H]2[C@H]1CC(C2Cc1cccc(c1)OCC(=O)O)O	PC-id_54049250,SCHEMBL11518268	358.471	LRSRVLDDIJGTCD-DNRPWOFYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145542
COC(C1CCC2C(C1)O2)c1ccc(cc1)C(C1CCC2C(C1)O2)OC	PC-id_87706678,SCHEMBL4644770	358.471	UXBVNAMVAVVOEM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145543
O1C2(C1(CCCC2(C)C)C)/C=C/C(=C/C=C/C(=C/C(=O)OC(=O)C)/C)/C	PC-id_21159819	358.471	COVXFHZSDFKMTI-FEPFPIPXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145544
O1C2(C1(CCCC2(C)C)C)C=CC(=CC=CC(=CC(=O)OC(=O)C)C)C	PC-id_73746582	358.471	COVXFHZSDFKMTI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145545
O1C2C1CCC(C2)COCc1ccc(COCC2CC3OC3CC2)cc1	PC-id_23089793,SCHEMBL4644776	358.471	JKXXKBFNJMEFHB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145546
O1C2(C1CC/C(=C/C(OC(=O)c1ccccc1)C(C(O)C2)C(C)C)/C)C	PC-id_51361781	358.471	LJBSCFGBDJEORR-NTCAYCPXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-145547
O1C2(C1CCC(=CC(OC(=O)c1ccccc1)C(C(O)C2)C(C)C)C)C	PC-id_75633213	358.471	LJBSCFGBDJEORR-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-145548
O1[C@@]2([C@]1(C[C@@H](O)CC2(C)C)C)C#C/C(=C/C=C/C(=C/C(=O)OCC)/C)/C	PC-id_11337295	358.471	AXQVGPUATKGFTM-YQRKKNEJSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145549
O1C2(C1(CC(O)CC2(C)C)C)C#CC(=CC=CC(=CC(=O)OCC)C)C	PC-id_72806816	358.471	AXQVGPUATKGFTM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145550
O1C2C1C(=O)CCC(C(C)C)C=CC(C2)COCOCc1ccccc1	PC-id_20164365	358.471	VTKLDVDJIVOLSV-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-145551
OC1C(C2(C(C2)C1)C=CCCCCC)Cc1cc(OCC(=O)O)ccc1	PC-id_76058890	358.471	BCQKAPFPRPVXAU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145552
OC1C(C2C(C2/C=C/CCc2ccccc2)C1)CCCOCCC(=O)O	PC-id_68132213	358.471	BMGCHESYIPOUAQ-BJMVGYQFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145553
OC1C(C2C(C2C=CCCc2ccccc2)C1)CCCOCCC(=O)O	SCHEMBL11794453,PC-id_68132214	358.471	BMGCHESYIPOUAQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145554
OC1C(C2C(C2C=CCCCCC)C1)Cc1cc(OCC(=O)O)ccc1	PC-id_73781042	358.471	LRSRVLDDIJGTCD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145555
OC1[C@H]([C@H]2[C@H](C2C=CCCc2ccccc2)C1)CCCOCCC(=O)O	PC-id_68129448,SCHEMBL11781254	358.471	BMGCHESYIPOUAQ-ZYAZTZRLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145556
O(Cc1ccccc1COCC1CCC2C(C1)O2)CC1CCC2C(C1)O2	PC-id_140273623	358.471	FSSDJUUTUDAXHC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145557
O(Cc1cccc(c1)COCC1CCC2C(C1)O2)CC1CCC2C(C1)O2	PC-id_141425972	358.471	YWIUVSUXXASZJX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145558
OCC1=CC(=O)[C@@]2([C@H](C1=O)O2)C/C=C(/CC/C=C(/CCC=C(C)C)C)C	PC-id_101739402	358.471	OKACQUHIJFDRNK-BGPVUPMBSA-N	00100000000011000000010000000000000000000000000000000000	22-01-145559
O(C(=O)C1C2C1CCCC2)C1=C(OC(=O)C2C3C2CCCC3)CCCC1	PC-id_24869487	358.471	FPXXFEPZRQUTJT-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-145560
OC(=O)CCOCCC[C@@H]1C(O)CC2C1C2/C=C/CCc1ccccc1	SCHEMBL11794446	358.471	BMGCHESYIPOUAQ-PEZLFUKVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145561
C=CC[C@H]([C@](C12CCCCC1O2)(C#Cc1ccccc1)O)c1ccccc1	PC-id_100936194	358.473	HBODLSPVQNZMGQ-UGDMEMNTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145562
O1C2(C1CCCC2)C(O)(C(CC=C)c1ccccc1)C#Cc1ccccc1	PC-id_15642866	358.473	HBODLSPVQNZMGQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145563
O1[C@]2([C@@H]1CCCC2)[C@@](O)([C@@H](CC=C)c1ccccc1)C#Cc1ccccc1	PC-id_10861272	358.473	HBODLSPVQNZMGQ-OJJQZRKESA-N	00100000000010110000010000000000000000000000000000000000	22-01-145564
Cc1ccc(c(c1)OCC1CCCO1)CNC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_99836737	358.474	UACSRBAJKYEYER-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145565
COc1cc(ccc1OC)C(=O)N1CCC(CC1)NC1CCC[C@H]2[C@@H]1C2	EMOLS-id_279158601	358.474	CMXZYQYSEXUTBU-NAVMLSPISA-N	00100000000010110000010000000000000000000000000000000000	22-01-145566
COc1cc(N[C@@H]2CCCN(C2)C(=O)C2[C@@H]3[C@H]2CCCC3)cc(c1)OC	PC-id_99717069	358.474	SFHBWHQKOLEJHH-VCZJPHHKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145567
COc1cc(N[C@H]2CCCN(C2)C(=O)C2[C@@H]3[C@H]2CCCC3)cc(c1)OC	PC-id_99717070	358.474	SFHBWHQKOLEJHH-WFZIFLONSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145568
O=C(CC1CCN(Cc2ccccc2)CC1)N1C[C@H]2[C@@H](C1)C2(CO)CO	ZINC22_1772710194	358.474	PEJAXQMJLFQTOM-KDURUIRLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145569
O=C(CC1CCN(Cc2ccccc2)CC1)N1C[C@H]2[C@H](C1)C2(CO)CO	ZINC22_1772710203	358.474	PEJAXQMJLFQTOM-OALUTQOASA-N	00100010000010110000010000000000000000000000000000000000	22-01-145570
O=C(CC1CCN(Cc2ccccc2)CC1)N1C[C@@H]2[C@@H](C1)C2(CO)CO	ZINC22_1772710205	358.474	PEJAXQMJLFQTOM-RTBURBONSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145571
O=C(N1CC2C(C1)C2(C)C)NCc1ccc(cc1)COC1CCOCC1	EMOLS-id_97800674	358.474	RKIOZFDFCMMSDE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145572
O(C(=O)C1N(CC2C1C2(C)C)C(=O)C(N)C(C)(C)C)Cc1ccccc1	PC-id_72433587	358.474	SZMAHCBFXPYUTN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145573
C1(CO)(CO)C2C1CN(C(=O)CC1CCN(CC1)Cc1ccccc1)C2	PC-id_137338174,MCULE-1782006324,EMOLS-id_317458606	358.475	PEJAXQMJLFQTOM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145574
C[C@H](C(=O)N[C@@H]1[C@H](C)CCN(C(=O)C2[C@@H]3CCC[C@@H]23)[C@@H]1C)c1ccco1	ZINC22_1875407189	358.475	USNGSXSCWYEDMS-CBRVZPNPSA-N	00100010101010000000010000000000000000000000000000000000	22-01-145575
C[C@H](C(=O)N[C@@H]1[C@H](C)CCN(C(=O)[C@@H]2[C@H]3CCC[C@@H]23)[C@@H]1C)c1ccco1	ZINC22_1875407192	358.475	USNGSXSCWYEDMS-WESNALLZSA-N	00100010101010000000010000000000000000000000000000000000	22-01-145576
C[C@H](C(=O)N[C@H]1[C@H](C)N(C(=O)C2[C@@H]3CCC[C@@H]23)CC[C@H]1C)c1ccco1	ZINC22_1875407190	358.475	USNGSXSCWYEDMS-NCMUWALVSA-N	00100010101010000000010000000000000000000000000000000000	22-01-145577
C[C@H](C(=O)N[C@H]1[C@H](C)N(C(=O)[C@@H]2[C@H]3CCC[C@@H]23)CC[C@H]1C)c1ccco1	ZINC22_1875407191	358.475	USNGSXSCWYEDMS-VAVGHIFASA-N	00100010101010000000010000000000000000000000000000000000	22-01-145578
COc1cc(NC2CCCN(C2)C(=O)C2C3C2CCCC3)cc(c1)OC	EMOLS-id_50563732,PC-id_102560053,MCULE-4145038113	358.475	SFHBWHQKOLEJHH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145579
COc1cc(N[C@@H]2CCCN(C(=O)C3[C@H]4CCCC[C@H]34)C2)cc(OC)c1	ZINC22_163517344,PC-id_99717067	358.475	SFHBWHQKOLEJHH-CCKFTAQKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145580
COc1cc(N[C@@H]2CCCN(C(=O)C3[C@@H]4CCCC[C@@H]34)C2)cc(OC)c1	ZINC22_230228909,PC-id_100908584	358.475	SFHBWHQKOLEJHH-NIKGAXFTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145581
COc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3[C@H]4CCCC[C@@H]34)C2)cc(OC)c1	ZINC22_247626128	358.475	SFHBWHQKOLEJHH-FCDRMGDPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145582
COc1cc(N[C@H]2CCCN(C(=O)[C@@H]3[C@H]4CCCC[C@@H]34)C2)cc(OC)c1	ZINC22_247626132	358.475	SFHBWHQKOLEJHH-VVHHDAOASA-N	00100000000010110000010000000000000000000000000000000000	22-01-145583
N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1C(=O)OCc1ccccc1)C2(C)C	SCHEMBL13415254,PC-id_59248104	358.475	SZMAHCBFXPYUTN-KXXMQDLISA-N	00100010000000110000010000000000000000000000000000000000	22-01-145584
N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)OCc1ccccc1)C2(C)C	PC-id_58815036,SCHEMBL10310621	358.475	SZMAHCBFXPYUTN-LUKYLMHMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145585
C1CNC(C1)COC12C=CC(=CC1C2)Cc1ccc(cc1)c1ccncc1	PC-id_143435378	358.476	OQTQEBQQJLJKNS-UHFFFAOYSA-N	00100010000011111000110000000000000000000000000000000000	22-01-145586
CC1(C2C1CN(C2)S(=O)(=O)c1cc(ccc1)S(=O)(=O)N(C)C)C	PC-id_136528433,MCULE-4097489888,EMOLS-id_111183424	358.476	KVAPLIITFDVJRH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145587
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H]3[C@H](C2)C3(C)C)c1	ZINC22_173565699	358.476	KVAPLIITFDVJRH-KBPBESRZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145588
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c1	ZINC22_173565713	358.476	KVAPLIITFDVJRH-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145589
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)c1	ZINC22_173565727	358.476	KVAPLIITFDVJRH-ZIAGYGMSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145590
CN(S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CC2C(C1)C2(C)C)C	EMOLS-id_111183235	358.476	KDTUYJUPAATULL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145591
CCCn1cc(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)cn1	ZINC22_1875406911	358.478	OSVLHWCWUWVDSW-AXHMDWHKSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145592
CCCn1cc(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC[C@@H]4C[C@H]4C3)C2)cn1	ZINC22_1875406912	358.478	OSVLHWCWUWVDSW-IHSNIMORSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145593
CCCn1cc(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC[C@H]4C[C@H]4C3)C2)cn1	ZINC22_1875406913	358.478	OSVLHWCWUWVDSW-KSVNGYGVSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145594
CCCn1cc(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC[C@H]4C[C@@H]4C3)C2)cn1	ZINC22_1875406914	358.478	OSVLHWCWUWVDSW-QCBUCWTNSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145595
CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@]34CCCC[C@H]3C4)[C@@H]2C)cn1	ZINC22_2325828794	358.478	RGOTZUCAIHRJFF-ASKNOMKYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145596
CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@]34CCCC[C@@H]3C4)[C@@H]2C)cn1	ZINC22_2325828795	358.478	RGOTZUCAIHRJFF-OYRIPWCXSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145597
CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@]34CCCC[C@@H]3C4)[C@@H]2C)cn1	ZINC22_2325828796	358.478	RGOTZUCAIHRJFF-WVSUBDOOSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145598
CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@]34CCCC[C@H]3C4)[C@@H]2C)cn1	ZINC22_2325828797	358.478	RGOTZUCAIHRJFF-XNWPKKHHSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145599
CCC(=NCC1CC2CC2CN1C(=O)c1c(ccc(n1)C)OC(C)C)N	PC-id_91286734	358.478	WCQBSGAVQUJCEQ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-145600
CCCN(CCC(=O)N1C[C@@H]2[C@H](C1)[C@H]2NC(=O)c1ncc(c(c1)C)C)C	EMOLS-id_317735883,MCULE-8616060647	358.478	RYPSUAKMEPESMC-MNZLEMJZSA-N	00100010000000101000010000000000000000000000000000000000	22-01-145601
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cn(C)cn2)C1(C)C	ZINC22_1875406576	358.478	HOEUXFRTQWIGHA-DRXUAVOGSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145602
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn(C)cn2)C1(C)C	ZINC22_1875406577	358.478	HOEUXFRTQWIGHA-IETPZCKNSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145603
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1CC[C@H](NC(=O)c2cn(C)cn2)C1(C)C	ZINC22_1875406578	358.478	HOEUXFRTQWIGHA-NPCUJANDSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145604
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2cn(C)cn2)C1(C)C	ZINC22_1875406579	358.478	HOEUXFRTQWIGHA-WVCIDPQESA-N	00100010100010000001010000000000000000000000000000000000	22-01-145605
[C@@H]12CN(C[C@@H]1[C@H]2CN1CCN(CC1)Cc1ccncc1)C(=O)CCOC	ZINC22_102719303,MCULE-4020502176,EMOLS-id_43156358	358.478	QPZVNAICAZMCTB-LDLYASANSA-N	00100010000010101001010000000000000000000000000000000000	22-01-145606
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CCP(=C)CP(=C)C(OC12C(C)C(C(C1C2(C)C)C)(C)C)(C)C	SCHEMBL13529155	358.479	INNBCGOBMHEXPC-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145619
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Cc1nc(NC2CCC(N(C)C(=O)[C@@]34CCCC[C@@H]3C4)CC2)[nH]c(=N)n1	ZINC22_1875406148	358.481	YELKORFHTZRKRL-BEFRKJEDSA-N	00100000000010100001010000000000000000000000000000000000	22-01-145621
Cc1nc(NC2CCC(N(C)C(=O)[C@]34CCCC[C@@H]3C4)CC2)[nH]c(=N)n1	ZINC22_1875406149	358.481	YELKORFHTZRKRL-JXGBTDEFSA-N	00100000000010100001010000000000000000000000000000000000	22-01-145622
Cc1nc(NC2CCC(N(C)C(=O)[C@]34CCCC[C@H]3C4)CC2)[nH]c(=N)n1	ZINC22_1875406150	358.481	YELKORFHTZRKRL-URGFFDDHSA-N	00100000000010100001010000000000000000000000000000000000	22-01-145623
Cc1nc(NC2CCC(N(C)C(=O)[C@@]34CCCC[C@H]3C4)CC2)[nH]c(=N)n1	ZINC22_1875406151	358.481	YELKORFHTZRKRL-WYXOVGLDSA-N	00100000000010100001010000000000000000000000000000000000	22-01-145624
O=C([C@@H]1[C@@H]2[C@H]1CNC2)N1CCC(CC1)c1nnc(n1C)CN1CCCC1	EMOLS-id_43575737,MCULE-9112161520	358.481	QXFYQZNKTHQFLL-QLPKVWCKSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145625
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CNCC1C2C1CN(C2)C(=O)C(c1ccc(cc1)F)(C1CCCCC1)C	PC-id_143230435	358.493	KFPMFPPLIATHSP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145628
S1C2C1CCC(C2)C(OC(=O)C1CC2OC2CC1)(C)c1ccccc1	PC-id_21053236	358.494	CDOKKHKHRRPRCA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145629
S1C2C1CCC(C2)C(=O)OC(C1CC2OC2CC1)(C)c1ccccc1	PC-id_21053218	358.494	MFXIAZIYWWZMNQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145630
C=CC[C@]1(O)[C@H]2O[C@H]2[C@@H](C[C@]1(O)C(=O)OC)O[Si](C(C)(C)C)(C)C	PC-id_102341081	358.502	WBBBTVVGGIUNEF-BCBCSNLJSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145631
C1(=CC(=O)[C@@]2(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)[C@@H]([C@@H]1O)O2)CC	PC-id_44566894,CHEMBL461177	358.514	BMDMRPRGJZSKOI-BVNLDUDUSA-N	00100000000011000000010000000000000000000000000000000000	22-01-145632
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CC(COC(=O)C1CCCC(C1)S)OC(=O)C1CCC2C(C1)S2	PC-id_90145956,SCHEMBL15703193	358.516	HZEYBVKKNPTDOT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145634
CC(OC(=O)C1CCCC(C1)S)COC(=O)C1CCC2C(C1)S2	SCHEMBL17976972,PC-id_122453917	358.516	YLHGAAQQFCGRTA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145635
C12(CC)CN(CC1C2)Cc1ccccc1OCCCCN1CCOCC1	PC-id_138806700,MCULE-7400352200,EMOLS-id_317872597	358.518	CKXQPJDBYZRMBP-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-145636
C1(C(=O)NC2CCCCC2NC(=O)C2C3C2CCCC3)C2C1CCCC2	PC-id_24098577,MCULE-1576211868,EMOLS-id_13316614	358.518	LXCIULWDNJJXLQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145637
CC1COCC(N1CCCOCC1C2C1CN(C2)Cc1ccccc1)C	PC-id_11501346,SCHEMBL5796360	358.518	LZVDWYPUCZFKCP-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-145638
CC[C@]12C[C@@H]1CN(Cc1ccccc1OCCCCN1CCOCC1)C2	ZINC22_1775976694	358.518	CKXQPJDBYZRMBP-IFMALSPDSA-N	00100010000010110001010000000000000000000000000000000000	22-01-145639
CC[C@@]12C[C@@H]1CN(Cc1ccccc1OCCCCN1CCOCC1)C2	ZINC22_1775976696	358.518	CKXQPJDBYZRMBP-IRLDBZIGSA-N	00100010000010110001010000000000000000000000000000000000	22-01-145640
CC[C@]12C[C@H]1CN(Cc1ccccc1OCCCCN1CCOCC1)C2	ZINC22_1775976697	358.518	CKXQPJDBYZRMBP-RBBKRZOGSA-N	00100010000010110001010000000000000000000000000000000000	22-01-145641
CC[C@@]12C[C@H]1CN(Cc1ccccc1OCCCCN1CCOCC1)C2	ZINC22_1775976698	358.518	CKXQPJDBYZRMBP-UNMCSNQZSA-N	00100010000010110001010000000000000000000000000000000000	22-01-145642
CC/C(=C(C)/C(=O)N(C)[C@H]1[C@@H]2CN(C(=O)[C@H]3C[C@H]4[C@@H](C3)C4(C)C)C[C@H]12)/C	ZINC22_2325872141	358.518	JZVNEWSRTHAXRW-JOTWIEIRSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145643
C[C@@H]1CN(C(=O)[C@H]2C[C@H]3[C@@H](C2)C3(C)C)C[C@@H]1NC(=O)[C@@H]1CC=CC[C@H]1C	ZINC22_2325872319	358.518	RNWHCWDBFKDPAS-NVTXSZTESA-N	00100010000011000000010000000000000000000000000000000000	22-01-145644
COc1ccccc1CN1CC2C(C1)C2COCCN1C(C)CCC1C	SCHEMBL5793767,PC-id_11494206	358.518	BCWLXJDOBGSPQD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145645
COc1ccc(cc1)CN1C[C@@H]2[C@H](C1)C2COCCCN1CCCCC1	PC-id_11689027,SCHEMBL5796893	358.518	VFVHMVHGQIHHIV-CBQGHPETSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145646
COc1cccc(c1)CN1C[C@@H]2[C@H](C1)C2COCCCN1CCCCC1	PC-id_11717427,SCHEMBL5793646	358.518	GHIKHVSWJJXEDP-CBQGHPETSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145647
COc1cccc(c1)CN1C[C@@H]2[C@H](C1)[C@H]2COCCCN1CCCCC1	SCHEMBL5793639	358.518	GHIKHVSWJJXEDP-ZBYYUNFXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145648
COc1cccc(c1)CN1C[C@@H]2[C@H](C1)[C@@H]2COCCCN1CCCCC1	SCHEMBL5793644	358.518	GHIKHVSWJJXEDP-KOUNCHBCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145649
COc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@@H]2COCCCN1CCCCC1	SCHEMBL5796894	358.518	VFVHMVHGQIHHIV-KOUNCHBCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145650
COc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@H]2COCCCN1CCCCC1	SCHEMBL5796896	358.518	VFVHMVHGQIHHIV-ZBYYUNFXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145651
O=C(C1C2C1CCC2)NCC1CCC(CC1)CNC(=O)C1C2C1CCC2	EMOLS-id_100431283	358.518	ZNNYEFCFVVBXGJ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145652
O(CC1C2C1CN(C2)Cc1ccc(OC)cc1)CCCN1CCCCC1	PC-id_73062782	358.518	VFVHMVHGQIHHIV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145653
O(CC1C2C1CN(C2)Cc1cc(OC)ccc1)CCCN1CCCCC1	PC-id_73071940	358.518	GHIKHVSWJJXEDP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145654
O=C(N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]12)C1[C@H]2CCCC[C@H]12	ZINC22_247737843	358.518	LXCIULWDNJJXLQ-IDRKTEQXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145655
C1CCCCCCCC[C@@H]2[C@H](C1)C2=CC(c1ccccc1)c1ccccc1	PC-id_101230421	358.559	SNYLXKQHAHBYAU-PLQXJYEYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145677
O=C(N[C@H]1CCCC[C@H]1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]12)C1[C@@H]2CCCC[C@@H]12	ZINC22_247737845	358.518	LXCIULWDNJJXLQ-XIKHQHBUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145656
O=C(N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]12)C1[C@@H]2CCCC[C@@H]12	ZINC22_247737850	358.518	LXCIULWDNJJXLQ-ZVDAJOARSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145657
O=C(N[C@H]1CCCC[C@H]1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]12)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_247737847	358.518	LXCIULWDNJJXLQ-YBZUKINOSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145658
O=C(N[C@@H]1[C@@H](NC(=O)C2[C@H]3[C@@H]2CCCC3)CCCC1)C1[C@H]2[C@@H]1CCCC2	PC-id_26972616	358.518	LXCIULWDNJJXLQ-AHOXLEJESA-N	00100000000010000000010000000000000000000000000000000000	22-01-145659
O=C(N[C@@H]1[C@H](NC(=O)C2[C@H]3[C@@H]2CCCC3)CCCC1)C1[C@H]2[C@@H]1CCCC2	PC-id_27917810	358.518	LXCIULWDNJJXLQ-GAJTYAIUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145660
O=C(N[C@H]1[C@H](NC(=O)C2[C@H]3[C@@H]2CCCC3)CCCC1)C1[C@H]2[C@@H]1CCCC2	PC-id_40458379	358.518	LXCIULWDNJJXLQ-PYHVAAIKSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145661
CCN1CC2C(C1)C2CN(CC1CCCCC1)C(=O)c1cn(cn1)CC	SCHEMBL15967193,PC-id_90353515	358.521	VVDCNQNUEIUSMA-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145662
CCn1c(nnc1C1CCN(CC1)C[C@@H]1[C@@H]2[C@H]1CNC2)CN1CCCC1	MCULE-7790415599,EMOLS-id_44432895	358.524	VNEGGDMUKQLBCQ-PIIMJCKOSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145663
Cn1c(CN2CCCCC2)nnc1C1CCN(C[C@H]2[C@@H]3CNC[C@H]23)CC1	ZINC22_101964940,EMOLS-id_43560485,MCULE-6871609613	358.524	XUIJQUYFKKCBII-PIIMJCKOSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145664
N1CC2C(C2CN2CCC(CC2)c2n(c(nn2)CN2CCCC2)CC)C1	PC-id_77848305	358.524	VNEGGDMUKQLBCQ-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145665
N1CC2C(C2CN2CCC(CC2)c2n(c(nn2)CN2CCCCC2)C)C1	PC-id_77899765	358.524	XUIJQUYFKKCBII-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145666
N1C[C@@H]2[C@@H](C2CN2CCC(CC2)c2n(c(nn2)CN2CCCC2)CC)C1	PC-id_70731493	358.524	VNEGGDMUKQLBCQ-JWTNVVGKSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145667
N1C[C@H]2[C@H](C2CN2CCC(CC2)c2n(c(nn2)CN2CCCCC2)C)C1	PC-id_70714714	358.524	XUIJQUYFKKCBII-JWTNVVGKSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145668
CCOC1(CCC[Si](O1)(CCC1CCC2C(C1)O2)OCC)OCC	PC-id_89846840,SCHEMBL15313034	358.545	GFYLTULFUDBQHI-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-145669
CCOC1(CCC[Si](O1)(OCC)OCC)CCC1CCC2C(C1)O2	PC-id_89846843,SCHEMBL15313037	358.545	IGUCTADIWCVEPS-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-145670
COC(=O)C[C@]1(O)C[C@@H]2C([C@@]2(C[C@H]1O)O[Si](C(C)(C)C)(C)C)(C)C	PC-id_101792287	358.545	RDBDFOAVALNSAQ-HLNSBACISA-N	00100000000010000000010000000000000000000000000000000000	22-01-145671
COC(=O)C[C@@]1(O)C[C@H]2C([C@]2(C[C@@H]1O)O[Si](C(C)(C)C)(C)C)(C)C	PC-id_101792291	358.545	RDBDFOAVALNSAQ-DSIZOQBWSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145672
[Si](C(=O)C1N2C1C(=O)N(C2(C)C)Cc1ccccc1)(CC)(CC)CC	PC-id_75219600	358.55	OLUBYHPULVKTFZ-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-145673
[Si](C(=O)[C@@H]1N2[C@@H]1C(=O)N(C2(C)C)Cc1ccccc1)(CC)(CC)CC	PC-id_46845717	358.55	OLUBYHPULVKTFZ-NCHORFDRSA-N	00100010000000110001010000000000000000000000000000000000	22-01-145674
CC(CC(=C)C1CCC2(C(C1)O2)C)CCCC(=O)C1CCC2(C(C1)C2)C	PC-id_143227387	358.557	UGSPHLLCWDJDJK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145675
C1CCCCCCCC[C@H]2[C@H](C1)C2=CC(c1ccccc1)c1ccccc1	PC-id_101230422	358.559	SNYLXKQHAHBYAU-DQEYMECFSA-N	00100000000000110100010000000000000000000000000000000000	22-01-145678
C1CC[C@H]2[C@@H](C1)C2C(=CCCCc1ccccc1)CCCc1ccccc1	PC-id_134999278	358.559	CDATXACOCWZLDC-ZVBBVAIHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145679
C1CC[C@H]2[C@@H](C1)C2/C(=C/CCCc1ccccc1)/CCCc1ccccc1	PC-id_135000585	358.559	CDATXACOCWZLDC-OLQGNOMCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145680
CCCC(C1CCC2C(C1)O2)O[Si](OCCCC)(OCCCC)C	SCHEMBL188038,PC-id_87076399	358.588	IFBXOJJVPCVSDH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145681
CCCCO[Si](CC1CCC2C(C1)O2)(OCCCC)OCCCC	PC-id_22169284,SCHEMBL188037	358.588	OZFSVMFLPOAUOR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145682
CCCC[Si](OC(C1CCC2C(C1)O2)CC)(OCCC)OCCC	SCHEMBL187462,PC-id_87076325	358.588	OJFSSMMLSDOSEX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145683
CCCC([Si](OCCC)(OCCC)OCCC)C1CCC2C(C1)O2	SCHEMBL187460	358.588	XNFMEZXCTDZCSA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145684
CCCO[Si](OCCC)(OCCC)CCCCC1CCC2C(C1)O2	PC-id_21267595,SCHEMBL187461	358.588	JMPSRHHNRPTGKD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145685
C=C(CCC1CCCC(C1)C)CCCCC(=C)OCC1CCC2C(C1)C2	SCHEMBL19272695	358.6	NRLCVQGLMMXABI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145686
OC1C2C1CCC(C2CCCC=CCCC=CCC)CCCC=CCC	PC-id_20665873	358.6	VABWYWGVLBSMOI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145687
C[C@@H]1[C@@H](CCC2C1[Si]2(C(C)(C)C)C(C)(C)C)COCc1ccccc1	PC-id_101752143	358.633	YKZYKIHIOUITCY-GJHJYOIJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145688
CCCCC1C2C1(C(CC(C(C=CC=C2CC(C)CC)C)C)(C)C)CC	PC-id_91395123	358.643	UGLXHEZXQHMZBG-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-145689
CCCCC(=CC(C(CC)C(C)(C)C)C12CC1C(C(C=C2)C(C)C)C)C	PC-id_90937966	358.643	YRZLRKGWZMCFEK-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-145690
CCCCCCSCC1CC2OC2CC1CSCCCCCC	PC-id_59735512,SCHEMBL13935455	358.645	OBXNFLJECFKWHW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145691
S1C2(C1CC(CC2SC(=S)C1CC2SC2(CC1)C)(C)C)C	PC-id_57574150,SCHEMBL13935282	358.648	DKVFDTCSKLOEAL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145692
Brc1c(OCC)c(NC(=O)C2CC3C(C3)C2)cc(Cl)c1	PC-id_80471450	358.658	DWWSGXKHFHHASW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145693
N1(C(=O)CCCOc2ccc(cc2Cl)Br)CC2CC2C1	MCULE-1373398790,EMOLS-id_186797085,PC-id_108457469	358.658	BGCIMQCLSXAWOG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145694
CC([Si](O[C@H]1CC2OC2C[C@@H]1O[Si](C(C)(C)C)(C)C)(C)C)(C)C	PC-id_102369855	358.664	YHSHEKUBOZESPG-CKUJCDMFSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145695
CC[Si](O[C@@H]1C[C@H]2O[C@H]2C[C@@H]1O[Si](CC)(CC)CC)(CC)CC	PC-id_100927491	358.664	LYDXWZABBDTGIO-USTZCAOPSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145696
CC[Si](O[C@@H]1C[C@@H]2O[C@@H]2C[C@@H]1O[Si](CC)(CC)CC)(CC)CC	PC-id_100927492	358.664	LYDXWZABBDTGIO-FZDBZEDMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145697
[Si](OC1C(O[Si](C(C)(C)C)(C)C)CC2OC2C1)(C(C)(C)C)(C)C	PC-id_72820949	358.664	YHSHEKUBOZESPG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145698
[Si](O[C@@H]1[C@H](O[Si](C(C)(C)C)(C)C)C[C@@H]2O[C@@H]2C1)(C(C)(C)C)(C)C	PC-id_10926446	358.664	YHSHEKUBOZESPG-SYMSYNOKSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145699
[Si](O[C@H]1[C@@H](O[Si](C(C)(C)C)(C)C)C[C@@H]2O[C@@H]2C1)(C(C)(C)C)(C)C	PC-id_11111129	358.664	YHSHEKUBOZESPG-GEEKYZPCSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145700
[Si](O[C@@H]1[C@@H](O[Si](C(C)(C)C)(C)C)C[C@@H]2O[C@@H]2C1)(C(C)(C)C)(C)C	PC-id_11371792	358.664	YHSHEKUBOZESPG-FZKCQIBNSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145701
Brc1c(OC)c(C(NC)C2C3C2CCCC3)cc(Cl)c1	PC-id_81623862	358.701	FWVTVVDLPYXRIM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145702
Brc1c(OC)c(C(NCC)C2C3C2CCC3)cc(Cl)c1	PC-id_81624615	358.701	RQMYTPWEHCYSIT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145703
Brc1c(OC)c(C(NCC)C2CC3C(C3)C2)cc(Cl)c1	PC-id_80468581	358.701	ATTOGHLNMASDEM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145704
C[Si](CC[Si](O[Si](CCC1CCC2C(C1)O2)(C)C)(C)C)(C)C	PC-id_140741782	358.739	SQXSGJQZKYPTRP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145705
Fc1cccc(c1Cc1noc(=O)n1CC1CC2C(C1)C2(F)F)Cl	PC-id_142465635	358.743	PEEPAYSIXYLRRU-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-145706
O=C(NC1[C@@H]2[C@H]1CN(C2)Cc1cnc(nc1)Cl)OCc1ccccc1	PC-id_118221112	358.822	YBROZKGULVGKNN-XYPWUTKMSA-N	00100010000000110001010000000000000000000000000000000000	22-01-145707
O=C(N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1cnc(nc1)Cl)OCc1ccccc1	SCHEMBL16892083	358.822	YBROZKGULVGKNN-ZSHCYNCHSA-N	00100010000000110001010000000000000000000000000000000000	22-01-145708
Cc1ccc(cc1)C(c1ccc(cc1Cl)F)NC(=O)[C@@H]1[C@@H]2[C@H]1CNC2	EMOLS-id_319310274	358.837	XKKMUHCHMKMLEJ-IJCTXODHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145709
Cc1c(ccc(c1)C(=NOCc1ccc(cc1)F)C1C2C1CNC2)Cl	PC-id_89816831,SCHEMBL15274155	358.837	RLCDYGFCXOEACC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145710
Fc1ccc(cc1)C(N(C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)C)c1ccc(cc1)Cl	EMOLS-id_319175819	358.837	SPVNKOCCILIVAL-ULNPTZJRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145711
O=C([C@@H]1[C@@H]2[C@H]1CNC2)NC(c1ccccc1Cl)c1ccc(c(c1)C)F	EMOLS-id_319129437	358.837	XGAXJCKNMPCKLG-CJRSANABSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145712
C1C2C1(C(NC2)S(=O)(=O)c1ccccc1Cl)C#Cc1ccccn1	PC-id_135370871,SCHEMBL20550835	358.842	VOBROPQTYJUEDF-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-145713
C1C2C1(C(NC2)S(=O)(=O)c1ccc(cc1)Cl)C#Cc1ccccn1	SCHEMBL20550503,PC-id_135370605	358.842	WKFFRAAHTLICCK-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-145714
Clc1ccc(cc1)S(=O)(=O)N1CC2CC2(C1)C#Cc1ccccn1	BindingDB-id_799481,SCHEMBL18810310	358.842	ONEXZYXQYWFFHK-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-145715
Clc1ccccc1S(=O)(=O)N1CC2CC2(C1)C#Cc1ccccn1	BindingDB-id_799482,SCHEMBL18810450	358.842	XRTOCUTVIAEUHK-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-145716
Clc1cccc(c1)S(=O)(=O)N1CC2CC2(C1)C#Cc1ccccn1	SCHEMBL18810275,BindingDB-id_799480	358.842	OUTMSFPFCKZTNU-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-145717
ClCc1cccc(c1)c1c(C)cc(cc1C)OC[C@H]1OC[C@@H]2[C@H](C1)O2	PC-id_141393770	358.859	QNZLQTSIRYZSHJ-SLFFLAALSA-N	00100000000010110000110000000000000000000000000000000000	22-01-145718
ClCc1cccc(c1)c1c(C)cc(cc1C)OC[C@H]1OC[C@H]2[C@@H](C1)O2	PC-id_141393805	358.859	QNZLQTSIRYZSHJ-ZCNNSNEGSA-N	00100000000010110000110000000000000000000000000000000000	22-01-145719
ClCc1cccc(c1)c1c(C)cc(cc1C)OC[C@@H]1OC[C@@H]2[C@H](C1)O2	PC-id_141393811	358.859	QNZLQTSIRYZSHJ-HSALFYBXSA-N	00100000000010110000110000000000000000000000000000000000	22-01-145720
Clc1ccc(cc1)C(c1ccn(n1)C)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_99684395	358.865	BWOJGVIJTIZZLH-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145721
Clc1ccc(cc1)CCN(C(=O)c1ncn(c1)C)CC1C2C1CNC2	SCHEMBL6103780,PC-id_11949734	358.865	ZURWFIIZPFWNTR-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145722
Clc1cc(CCN(CC2C3C2CNC3)C(=O)c2ncn(c2)C)ccc1	PC-id_69666040,SCHEMBL6105308	358.865	JODRWSPRCFVMER-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145723
Clc1cc(CN(CC2C3C2CN(C3)C)C(=O)c2ncn(c2)C)ccc1	SCHEMBL712338,PC-id_56677629	358.865	GGOFKOFOQJFNFE-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145724
Clc1cc(CN(CC2[C@@H]3[C@H]2CN(C3)C)C(=O)c2ncn(c2)C)ccc1	BindingDB_PC-id_45267039,PC-id_45267039	358.865	GGOFKOFOQJFNFE-SJPCQFCGSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145725
CN1C[C@H]2[C@@H](C1)[C@@H]2CN(Cc1cccc(Cl)c1)C(=O)c1cn(C)cn1	CHEMBL537965	358.865	GGOFKOFOQJFNFE-FVQHAEBGSA-N	00100010100000110001010000000000000000000000000000000000	22-01-145726
CCOC(C1CC2(CC)OC2(CC1C)C)(CCC1OC1(C)CCl)C	PC-id_143374599	358.943	YGTIOHBMZUREIN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145727
CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@]3(C[C@]3(C2)Br)CO	PC-id_162367495	359.019	ZEVYMQLNTHSPML-UONOGXRCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145728
CC1=CC(=NC(=C1C(F)F)NC(=O)C2CC3(CC3N2)C)Br	PC-id_153456795	359.044	SGBMJYSCJPWYLF-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-145729
Brc1c(NC(=O)C2CC3C(C3)C2)cc(Br)cc1	PC-id_80471580	359.056	VRPBKNNPHTXXRX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145730
Brc1c(NC(=O)C2CC3C(C3)C2)ccc(Br)c1	PC-id_80471411	359.056	DQMGEEGOZLHNJN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145731
O=C(C1CC2C(C1)C2)Nc1c(Br)cccc1Br	PC-id_107603755	359.056	LDNHSXGQCVBEDG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145732
C1CC1(C(CC2=CC=CC=C2Cl)(CN3C4C(S4)NCN3)O)Cl	PC-id_148889763	359.063	PERISUSOAOMZQR-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-145733
CC1=C(OC(=O)O1)COC(=O)NC2(CCC3C2(C3C(=O)O)F)C(=O)O	PC-id_153930942	359.065	MWSMOWGRHBYMKA-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145734
CCN1C2C(S2)O/C(=Cc2ccc(o2)c2ccccc2OC)/C1=S	PC-id_164054106	359.065	WBBXNDUHOCLXCU-GDNBJRDFSA-N	00100000101010110001110000000000000000000000000000000000	22-01-145735
Brc1c(C(N)C2C3C2CCC3)cc(Br)c(c1)C	PC-id_81631432	359.099	XNPSGINTZYSOMX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145736
Brc1c(C(N)C2C3C2CCCC3)cc(Br)cc1	PC-id_81624312	359.099	MLHZQODEWUFMQZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145737
Brc1c(C(N)C2CC3C(C3)C2)cc(Br)c(c1)C	PC-id_81474346	359.099	LJCSQNXLLGLPJZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145738
Brc1c(C(NC)C2C3C2CCC3)cc(Br)cc1	PC-id_81624325	359.099	YVYLSNDQZHKBHA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145739
Brc1c(C(NC)C2CC3C(C3)C2)cc(Br)cc1	PC-id_80467046	359.099	DJXFJQQVUYJEDF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145740
Cc1cc(Br)c(c(c1)Br)NC1CCCC2C1C2	PC-id_112739974	359.099	DJBDPGHHBVGVAZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145741
C1[C@H](NC2C1(C2)CN)C(=O)NC3=CC=CC(=C3F)C4=CC=CC=C4Cl	PC-id_153298533	359.12	BFRKWCIFXWVBPB-LYGPFTKASA-N	00100010000000110000110000000000000000000000000000000000	22-01-145742
CN(C)C1=NC(=C(S1)C2=CC(=CC=C2)F)C(=O)N3C[C@@H]4C[C@@H]4[C@H]3C[NH-]	PC-id_162050423	359.135	YYLZOENMMYZVIW-FPMFFAJLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145743
O=C1OC(OC(=O)C2C(CCC1N)C2P(=O)(O)O)P(=O)(O)O	SCHEMBL11331585,PC-id_54570840	359.164	ZXDHXPSBEOXPTF-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-145744
Ic1c(NC(=O)C2C3C2CCCC3)ccc(F)c1	PC-id_79834008	359.178	BMYIDSCHVOKAIE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145745
O=C(C1C2C1CCCC2)Nc1cccc(c1I)F	PC-id_113340921	359.178	ILJVSTYPNCSZJR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145746
Clc1cc(COC2C(N)(C3C(C3(F)C(=O)O)C2)C#N)ccc1Cl	PC-id_77430800	359.18	QANNFHUSPVDMTE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145747
Clc1cc(CO[C@H]2[C@](N)([C@H]3C([C@]3(F)C(=O)O)C2)C#N)ccc1Cl	PC-id_69915654,SCHEMBL6846869	359.18	QANNFHUSPVDMTE-TTZOASIBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145748
Clc1cc(CO[C@H]2[C@](N)([C@H]3[C@H]([C@]3(F)C(=O)O)C2)C#N)ccc1Cl	SCHEMBL12274169,PC-id_68227684	359.18	QANNFHUSPVDMTE-MBPKRTKESA-N	00100010000010110000010000000000000000000000000000000000	22-01-145749
CCNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)CNc1c(ccnc1)C(=[NH2+])C(=O)N	PC-id_163849867	359.183	OTLBZCGFICWYQC-WQAKAFBOSA-O	00100010000000101000010000000000000000000000000000000000	22-01-145750
CCC(CC)NC1=C(C2C(C1=O)O2)Nc1cccc(c1O)C(=O)N(C)C	PC-id_163748690	359.185	LOCVCZMJFWODKC-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-145751
CC(C)(C)OC(=O)N[C@H]1CO[C@@H](C2C1O2)CO[Si](C)(C)C(C)(C)C	PC-id_152625386	359.213	ZCKBUSMTFQTANX-MRFVTOPCSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145752
C1CC1C2=C(OC=N2)C(=O)NC3[C@H]4[C@@H]3CN(C4)CCCC5CCOCC5	PC-id_154773149	359.221	VXSDZEXTROOJOU-BYICEURKSA-N	00100010100010000001110000000000000000000000000000000000	22-01-145753
CC(C)(C)OC(=O)NC(C(=O)N1C(C[C@H]2C1C2)C#N)C3(CCCC3)C=C	PC-id_154534321	359.221	NWGFNGUDCJZAOA-JYLOXXHMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145754
CC(C)C(=O)N1CC2C(C1C(=O)NC(CC3CCCC3=O)C#N)C2(C)C	PC-id_160367508	359.221	OKEVIWPPFPRLCX-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145755
Brc1ccsc1C(n1cncc1)C1CC2C(C1)C2(F)F	PC-id_141638123	359.232	SLDFKMFUDJSSTI-UHFFFAOYSA-N	00100010100110000001010000000000000000000000000000000000	22-01-145756
S(=O)(=O)(OC1C(N=[N+]=[N-])(C2C(C2C(=O)O)C1)C(=O)O)C(F)(F)F	PC-id_18690111	359.236	BZCZUBSVDHDFIG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145757
S(=O)(=O)(O[C@H]1[C@]([N-][N+]#N)([C@H]2[C@H]([C@@H]2C(=O)O)C1)C(=O)O)C(F)(F)F	PC-id_57238713	359.236	BZCZUBSVDHDFIG-AZDHXYLBSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145758
Brc1cc(NC(=O)C2C3C2CCC3)ccc1S(=O)(=O)N	PC-id_81643502	359.239	QKFYRHOSENQHJO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145759
Brc1cc(NC(=O)C2CC3C(C3)C2)ccc1S(=O)(=O)N	PC-id_80467867	359.239	OLESBZXNPNLHNL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145760
Brc1c(NC(=O)C2C3C2CCC3)ccc(S(=O)(=O)N)c1	PC-id_81644061	359.239	NBLPBOMHLNINRL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145761
Brc1c(NC(=O)C2CC3C(C3)C2)ccc(S(=O)(=O)N)c1	PC-id_80468092	359.239	ZNMVUPLJOCTKNY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145762
C1CC(CC2C1C2)C(=O)NS(=O)(=O)c1ncc(cc1)Br	MCULE-4995309839,PC-id_136548511,EMOLS-id_112095434	359.239	MMKYGKUKVCMCJM-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-145763
O=C(NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1CC[C@H]2C[C@H]2C1	ZINC22_408499735	359.239	MMKYGKUKVCMCJM-AEJSXWLSSA-N	00100000000010101000010000000000000000000000000000000000	22-01-145764
O=C(NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1CC[C@@H]2C[C@H]2C1	ZINC22_408499738	359.239	MMKYGKUKVCMCJM-BBBLOLIVSA-N	00100000000010101000010000000000000000000000000000000000	22-01-145765
O=C(NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1CC[C@H]2C[C@@H]2C1	ZINC22_408499741	359.239	MMKYGKUKVCMCJM-IVZWLZJFSA-N	00100000000010101000010000000000000000000000000000000000	22-01-145766
O=C(NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC22_408499744	359.239	MMKYGKUKVCMCJM-OPRDCNLKSA-N	00100000000010101000010000000000000000000000000000000000	22-01-145767
O=C(NS(=O)(=O)c1ccc(cn1)Br)CC1CCC2C1C2	EMOLS-id_112077956	359.239	LERUFIRHZSCCHY-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-145768
[C@H]1(C(=O)N(C)CCO)[C@H]2[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2	EMOLS-id_43177323,MCULE-9871874791,ZINC22_102836145	359.248	QEERCTKUANCMBV-IMRBUKKESA-N	00100010000000110000010000000000000000000000000000000000	22-01-145769
Clc1c(O)c(CN2CC3C(C3C(=O)N(CCO)C)C2)cc(Cl)c1	PC-id_76439951	359.248	QEERCTKUANCMBV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145770
Clc1c(O)c(CN2C[C@@H]3[C@@H](C3C(=O)N(CCO)C)C2)cc(Cl)c1	PC-id_56916094	359.248	QEERCTKUANCMBV-ONXXMXGDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145771
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cccc(c1)OC(F)(F)F	MCULE-6682355897,PC-id_135101323,ZINC22_1704313260,EMOLS-id_317382267	359.254	HZDWFGDADZMFRG-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145772
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1)OC(F)(F)F	PC-id_135094794,EMOLS-id_317381483,MCULE-3319729618,ZINC22_1704307040	359.254	RGQLJWSTRLDDOQ-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145773
BrC1(C2C1OCCC2)C(O)(c1ccccc1)c1ccccc1	PC-id_421142	359.257	ZQAIANOQUQQXIB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145774
Br[C@]1([C@H]2[C@@H]1CCCO2)C(c1ccccc1)(c1ccccc1)O	CoCoCo_5460578	359.257	ZQAIANOQUQQXIB-RCCFBDPRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145775
Br[C@@]1([C@H]2[C@@H]1CCCO2)C(c1ccccc1)(c1ccccc1)O	CoCoCo_5460579	359.257	ZQAIANOQUQQXIB-KSZLIROESA-N	00100000000010110000010000000000000000000000000000000000	22-01-145776
Br[C@@]1([C@@H]2[C@H]1CCCO2)C(c1ccccc1)(c1ccccc1)O	CoCoCo_5460580,LI_141564	359.257	ZQAIANOQUQQXIB-SQNIBIBYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145777
Br[C@]1([C@@H]2[C@H]1CCCO2)C(c1ccccc1)(c1ccccc1)O	NSC130992,CoCoCo_5460581	359.257	ZQAIANOQUQQXIB-FGTMMUONSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145778
O=C(NC1(C(=O)O)C(F)CC2C1C2C(=O)O)OCc1oc(=O)oc1C	SCHEMBL16610574,PC-id_117987555	359.261	CVXHPIRDUAZTFL-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145779
O=C(N[C@@]1(C(=O)O)[C@@H](F)C[C@@H]2[C@H]1[C@H]2C(=O)O)OCc1oc(=O)oc1C	SCHEMBL16610509,PC-id_117987513	359.261	CVXHPIRDUAZTFL-BGPWLPRTSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145780
CC[Si](CC)(CC)OC(CCC1C[C@@H]2[C@H](C1)C2(C)C)C3=CC=CC=N3	PC-id_161006197	359.264	BHLOOANTJNVWHI-SGBLEOHJSA-N	00100010000010101000010000000000000000000000000000000000	22-01-145781
CC1C2C1C([NH2+]C(CC2)OCC1CC2(C(C2=C=C1C)OC)C)NC1CC1	PC-id_163654003	359.269	IOQAIQKLRCUETR-UHFFFAOYSA-O	00100000000011000100010000000000000000000000000000000000	22-01-145782
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1c(O)ccc(c1)n1cnnn1	ZINC22_1704307565,MCULE-6304045788,EMOLS-id_317352562,PC-id_135092030	359.294	AGMRJRCEUFFKAF-GASCZTMLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-145783
IS12SC1(S2)I	SCHEMBL18165809,PC-id_122635142	362.015	LZMSXJPBDUTCDW-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-146511
FC(F)(F)Oc1cc(CC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)ccc1	SCHEMBL8763689,PC-id_67685130	359.297	VUPASDNGZAZAFO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145784
Cc1c(nc(cc1)OC(F)(F)F)NC(=O)[C@@H]1C[C@]2(C[C@H]2N1C(=O)O)C	PC-id_135318313,SCHEMBL20488150	359.3	VBPBJDFOWHBEAS-QIBSRJKCSA-N	00100010000000101000010000000000000000000000000000000000	22-01-145785
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(c(OCC#C)c1)OC	EMOLS-id_317377406,MCULE-9892772387,PC-id_135094914,ZINC22_1704312575	359.33	FXSDIKCMIXJSBJ-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145786
CNC(=O)OCC(CC(=O)ON1C2C(O2)CCC1=O)COC(=O)NC	PC-id_91454491	359.332	WWSFMJQOOKMMET-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145787
FC(F)(F)C(=O)NC(C1(CCCC1)CO)C(=O)N1C2C(C2)CC1C#N	PC-id_21339077	359.344	VFMZRGCRTJRBRA-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145788
FC(F)(F)C(=O)NC(C1(CCCC1)CO)C(=O)N1[C@@H]2[C@@H](C2)C[C@H]1C#N	PC-id_59891406	359.344	VFMZRGCRTJRBRA-FEZOTEKNSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145789
c1cc(c(cc1SCC1C(C2C(C2OC=O)C1(C(=O)O)N)O)F)F	PC-id_88362129	359.345	WREGURDVWLTBMT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145790
c1c(SCC2C(N)(C(=O)O)C3C(C3C(=O)O)C2O)cc(F)c(F)c1	MCULE-1723995742,PC-id_77699083	359.345	PVCLSZDVATUGHR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145791
N[C@@]1([C@H]2[C@H]([C@@H]2C(=O)O)[C@H](O)[C@H]1CSc1ccc(F)c(F)c1)C(=O)O	ZINC22_204795311,SCHEMBL6114515,PC-id_69669747,MCULE-5322410797,EMOLS-id_178506153	359.345	PVCLSZDVATUGHR-XJDZXMJWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145792
NOC(=O)C1C(CSc2ccc(c(c2)F)F)C(C2C1C2C(=O)O)O	PC-id_144383383	359.345	XSRAUDSRRJISOR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145793
O=CO[C@H]1[C@H]2[C@@H]1[C@]([C@@H]([C@H]2O)CSc1ccc(c(c1)F)F)(N)C(=O)O	SCHEMBL8764879	359.345	WREGURDVWLTBMT-MBUAWJIVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145794
O=C(N1CCC2[C@H](C1C)C2OS(=O)(=O)C(F)(F)F)OC(C)(C)C	SCHEMBL19750269	359.362	WDTLMTFOUSCTOS-HTEYAMCKSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145795
COc1cccc(c1)CSC1=CN=C(C2C1C2)C(C(F)(F)F)(O)O	PC-id_143872029	359.363	CTFDFAVFERXRST-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-145796
CCCC(C)C(=O)Oc1ccccc1C(=O)N(C1=CC(=O)C2C(C1)O2)O	SCHEMBL1286313,PC-id_87222935	359.373	BVXWTANCTDASJH-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-145797
CC(C)(C)CC(=O)Oc1ccccc1C(=O)N(C1=CC(=O)C2C(C1)O2)O	SCHEMBL1286381,PC-id_87222943	359.373	RKRYZSNURQZJPM-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-145798
CCCCCC(=O)OC1C(=CC(=O)C2C1O2)NC(=O)c1ccccc1O	PC-id_146156919	359.373	GXGBDIRWEHODNW-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-145799
CCCCCC(=O)O[C@@H]1C(=CC(=O)[C@H]2[C@@H]1O2)NC(=O)c1ccccc1O	PC-id_101953980	359.373	GXGBDIRWEHODNW-FGTMMUONSA-N	00100000000011110000010000000000000000000000000000000000	22-01-145800
CCCC(C(=O)Oc1ccccc1C(=O)NC1=CC(=O)C2C(C1O)O2)C	SCHEMBL1286308,PC-id_49847756	359.373	IHJNBZKYETVXPA-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-145801
CCOC(=O)C1C2C1C(C(=O)C2)(C(=O)OCc1ccccc1)NC(=O)C	PC-id_86755666	359.373	FJQJSFKZDXZRLN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145802
CCOC(=O)C#C[C@@]([C@@]12CCCC[C@@H]1O2)(Oc1ccc(cc1)[N+](=O)[O-])C	PC-id_102574332	359.373	OQXSOPPJTLBADC-YTQUADARSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145803
O1C2C1C(=O)C=C(NC(=O)c1c(OC(=O)CC(C)(C)C)cccc1)C2O	PC-id_49847630,SCHEMBL1286380	359.373	BONUNRQZOSKPLJ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-145804
O(C(=O)N(c1c2-c(c2)cc1)C(=O)OCc1ccccc1)Cc1ccccc1	PC-id_68788306	359.375	YRLQMAHSBQXFTK-UHFFFAOYSA-N	00110010100000110000010000000000000000000000000000000000	22-01-145805
O(C(=O)N(c1cc2-c(c2)c1)C(=O)OCc1ccccc1)Cc1ccccc1	PC-id_68788555	359.375	QQPFFXXEDOLVRG-UHFFFAOYSA-N	00110010100000110000010000000000000000000000000000000000	22-01-145806
CCOC(=O)C1C2C1C(C(C2)OC)(C(=O)OCc1ccccc1)N=[N+]=[N-]	PC-id_86755669	359.376	ZBGVXKANNCMJBR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-145807
CCCCCCCC(=O)OCOC(=O)[C@H]1[C@H]2[C@@H]1[C@]([C@H](C2)F)(N)C(=O)O	SCHEMBL16610705,PC-id_72550320	359.39	BYWXUTBQDOPYHG-VGIVHPTCSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145808
CCCCCCCC(=O)OCOC(=O)[C@H]1[C@@H]2[C@H]1[C@@]([C@H](C2)F)(N)C(=O)O	SCHEMBL18035026,PC-id_122504687	359.39	BYWXUTBQDOPYHG-GJQWODOJSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145809
CCCCOC(=O)NC12C(CCC1C2(F)C(=O)OCC)C(=O)OCC	PC-id_141104357	359.39	PXEVAKDMHKCDRM-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145810
FC1C2C(C2C(=O)OCC)C(NC(=O)OC(C)(C)C)(C1)C(=O)OCC	PC-id_53863307	359.39	GXZKONAPLINBIY-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145811
FC1C2C(C2C(=O)O)C(NC(=O)OC(C)(C)C)(C1)C(=O)OC(C)(C)C	PC-id_77214886	359.39	ITNFKOUFQVZODP-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145812
F[C@H]1[C@@H]2C([C@H]2C(=O)OCC)C(NC(=O)OC(C)(C)C)(C1)C(=O)OCC	PC-id_57106562	359.39	GXZKONAPLINBIY-KXCSZTDTSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145813
F[C@H]1[C@@H]2[C@@H]([C@H]2C(=O)O)[C@@](NC(=O)OC(C)(C)C)(C1)C(=O)OC(C)(C)C	PC-id_66902268,SCHEMBL1087143	359.39	ITNFKOUFQVZODP-NWBXLOQOSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145814
O=COC[C@H]1[C@H]2[C@@H]1[C@](CS2(=O)=O)(NC(=O)C1CCCC1)C(=O)OC	SCHEMBL1101487,PC-id_58403679	359.395	HQXITIQJPBFYMY-FJJYHAOUSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145815
S1(=O)(=O)C2C(C2COC=O)C(NC(=O)C2CCCC2)(C1)C(=O)OC	PC-id_76777650	359.395	HQXITIQJPBFYMY-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-145816
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[Si](C#C[C@]12O[C@]1([C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)CC2)C)(C)(C)C	PC-id_10893723	359.449	PBJBFVUQDGDDQT-SZMVWBNQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145898
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C/C(=C
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COc1ccc(cc1S(=O)(=O)N1CC2C(C1)C2(C)C)S(=O)(=O)C	EMOLS-id_110316032	359.461	IBRZUKKEGVRWRD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145912
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Cc1cccc(N2CCN(CC(=O)N3C[C@@H]4[C@@H](C3)C4(CO)CO)CC2)c1	ZINC22_1772805646	359.463	NSZLFEGWNICIOT-QZTJIDSGSA-N	00100010000010110001110000000000000000000000000000000000	22-01-145916
Cc1cccc(N2CCN(CC(=O)N3C[C@H]4[C@H](C3)C4(CO)CO)CC2)c1	ZINC22_1772805647	359.463	NSZLFEGWNICIOT-ROUUACIJSA-N	00100010000010110001110000000000000000000000000000000000	22-01-145917
CCC(c1ccccc1OCC(=O)N(C)C)NC(=O)N1CCC2C(C1)C2	MCULE-1460709137,EMOLS-id_177284933	359.463	IZLOOHFHVILBTH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145918
CC[C@H](NC(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1OCC(=O)N(C)C	ZINC22_585098073	359.463	IZLOOHFHVILBTH-INMHGKMJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145919
CC[C@H](NC(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1OCC(=O)N(C)C	ZINC22_585098075	359.463	IZLOOHFHVILBTH-UXLLHSPISA-N	00100000000010110000010000000000000000000000000000000000	22-01-145920
CC[C@H](NC(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1OCC(=O)N(C)C	ZINC22_585098076	359.463	IZLOOHFHVILBTH-VYDXJSESSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145921
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CCN(CCN(C)C)C(=O)[C@@H]1[C@H]2CN(Cc3ccccc3C(=O)O)C[C@@H]12	EMOLS-id_43145946,ZINC22_102663881,MCULE-7028280824	359.463	DWFFVXZUUVKJRD-PIIMJCKOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145923
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C12(CCN(CC1)C[C@H]1[C@H]3[C@@H]1CNC3)N(CCc1[nH]cnc21)C(=O)COC	EMOLS-id_46095701,ZINC22_102836124,MCULE-3712895329	359.466	XCDYRSSFSSXFHW-FICVDOATSA-N	00100010100010000001010000000000000000000000000000000000	22-01-145935
Cc1nc(CC(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H]4C[C@H]4C3)[C@H]2C)n[nH]1	ZINC22_1875406343	359.466	BQCKBYJINQLSIU-BPKBQXTESA-N	00100000100010000001010000000000000000000000000000000000	22-01-145936
Cc1nc(CC(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H]4C[C@H]4C3)[C@@H]2C)n[nH]1	ZINC22_1875406344	359.466	BQCKBYJINQLSIU-CSOUEMRRSA-N	00100000100010000001010000000000000000000000000000000000	22-01-145937
Cc1nc(CC(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@H]2C)n[nH]1	ZINC22_1875406345	359.466	BQCKBYJINQLSIU-CWCFIDOXSA-N	00100000100010000001010000000000000000000000000000000000	22-01-145938
Cc1nc(CC(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@@H]2C)n[nH]1	ZINC22_1875406346	359.466	BQCKBYJINQLSIU-JPIRQXTESA-N	00100000100010000001010000000000000000000000000000000000	22-01-145939
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O(C(=O)N1CC2C(C2Nc2nc(nc(c2)C2CCCC2)N)C1)C(C)(C)C	PC-id_77513053	359.466	ZYWULONBAVPPMA-UHFFFAOYSA-N	00100010000000100001110000000000000000000000000000000000	22-01-145942
OC(=O)N1CC2(C(C2Nc2nc(nc(c2)C2CCCC2)N)C1)C(C)(C)C	PC-id_77513055	359.466	VVDMYKGRLWLCNI-UHFFFAOYSA-N	00100010000000100001110000000000000000000000000000000000	22-01-145943
OC(=O)N1C[C@@]2([C@H]([C@@H]2Nc2nc(nc(c2)C2CCCC2)N)C1)C(C)(C)C	SCHEMBL3205725,PC-id_68549313	359.466	VVDMYKGRLWLCNI-ODYMNIRHSA-N	00100010000000100001110000000000000000000000000000000000	22-01-145944
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CC(OCCS(=O)(=O)N1CCN(CC1)C(=O)NC1CC2C(C1)C2)C	EMOLS-id_102211312	359.484	YFNYYCUDLXCTTM-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-145946
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[Si](OC(C1(O)C2OC2C(OC(=O)C)(NC=O)C1)C)(C(C)(C)C)(C)C	PC-id_85322563	359.49	GXZQPKMPMCRWMQ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145948
[Si](O[C@H]([C@@]1(O)[C@@H]2O[C@@H]2C(OC(=O)C)(NC=O)C1)C)(C(C)(C)C)(C)C	PC-id_10937274	359.49	GXZQPKMPMCRWMQ-ANYFDBNWSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145949
CC1(C2C1(CN(C2)C(=O)OC(C)(C)C)CCCOCc1ccccc1)C	PC-id_91320566	359.502	ADGMSVXTCCLTDD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145950
CCCCCC(c1ccccc1)(C(=O)OC(CCN1CC2C(C1)C2)C)O	PC-id_141201030	359.502	HVGDINGZCQIOCO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-145951
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C[C@@H]1C2C(O2)N(CCN1CCCOc1ccc(cc1)C1CCNCC1)C	SCHEMBL20014597,PC-id_134384991	359.506	AISVXWDOIGVNSU-YMTQGWHGSA-N	00100000000010110101110000000000000000000000000000000000	22-01-145953
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CNCC1CC[C@@H]2[C@H](N1C(=O)c1nc(sc1c1ccccc1)C)S2	PC-id_145640698	359.509	GSWXYJVSVMIKGB-JDPNFYKBSA-N	00100000100010110001110000000000000000000000000000000000	22-01-145955
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CO[C@H]1O[C@H](CO[Si](C(C)(C)C)(C)C)[C@@H]([C@H]2[C@@H]1O2)CC(=O)N(C)C	PC-id_102426785	359.533	ZTJGSXNGWXTARI-URLPEUOOSA-N	00100000000010000000010000000000000000000000000000000000	22-01-145957
[Si](OC1OC(C2N(C12)C(=O)OC(C)(C)C)COC)(C(C)(C)C)(C)C	PC-id_85379083	359.533	TUTQVJUCLZUGRG-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145958
[Si](O[C@@H]1O[C@@H]([C@@H]2N([C@H]12)C(=O)OC(C)(C)C)COC)(C(C)(C)C)(C)C	PC-id_11046587	359.533	TUTQVJUCLZUGRG-XYFOAGOGSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145959
[Si](OC1C2N(C2C(=O)C=C1)Cc1ccc(OC)cc1)(C(C)(C)C)(C)C	PC-id_72834547	359.535	KPCRZJQJJUSVAD-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-145960
[Si](O[C@H]1[C@@H]2N([C@@H]2C(=O)C=C1)Cc1ccc(OC)cc1)(C(C)(C)C)(C)C	PC-id_11405707	359.535	KPCRZJQJJUSVAD-BTXHWTSGSA-N	00100000000011110000010000000000000000000000000000000000	22-01-145961
[Si](OC(C12OC1CCCC2CCN=[N+]=[N-])(C)c1ccccc1)(C)(C)C	PC-id_23726104	359.538	XGQPVUCPXVFKHT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-145962
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[Si](OC1C=CC=CC2C(C2)CC(NC(=O)C#CC1)C)(C(C)(C)C)(C)C	PC-id_72367452	359.578	WRQGZWGBELMQLF-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-145967
[Si](OC1/C=C/C=C[C@@H]2[C@H](C2)C[C@H](NC(=O)C#CC1)C)(C(C)(C)C)(C)C	PC-id_59721610	359.578	WRQGZWGBELMQLF-ZOAUIQBVSA-N	00100000000000000110010000000000000000000000000000000000	22-01-145968
CCCCCCCCCCCCCCCCc1c(cnc2c1O2)C(C)C	PC-id_141145085	359.588	ORKHXGXXMHCMRU-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-145969
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[Si](O[C@H]1[C@@H]2O[C@@H]2[C@H](N)[C@H]1O[Si](C(C)(C)C)(C)C)(C(C)(C)C)(C)C	PC-id_71812857	359.652	BUADWVFADCONAR-NJVJYBDUSA-N	00100010000000000000010000000000000000000000000000000000	22-01-145971
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Brc1cnn(c1)c1ncccc1C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_101209683	361.236	QNVZSMXJISNBGU-UHFFFAOYSA-N	00100010100000101001110000000000000000000000000000000000	22-01-146315
C1C2C(C2N=C2C(C(=O)NC=N2)Br)CN1Cc1ccccc1	PC-id_137232103	361.236	IBELSNQIYOZDNW-UHFFFAOYSA-N	00100010000011110001010000000000000000000000000000000000	22-01-146316
C1C2C(C2Nc2c(c(=O)[nH]cn2)Br)CN1Cc1ccccc1	PC-id_137268471	361.236	XLQFNCVAHLCRPV-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-146317
CN(C(=O)c1cc(c2ccc(Br)cc2)[nH]n1)[C@H]1[C@@H]2CNC[C@H]12	ZINC22_1356371872	361.236	WUFCARSDLMBFHF-JYAVWHMHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-146318
NC[C@H]1[C@@H]2CN(C(=O)c3cc(c4ccc(Br)cc4)[nH]n3)C[C@H]12	ZINC22_1875276693	361.236	PWASHGYQMTYRTF-XYYAHUGASA-N	00100010100000110001110000000000000000000000000000000000	22-01-146319
O=C([C@@H]1C[C@@H]2[C@H](N1)C2)Nc1nccn1Cc1ccc(cc1)Br	EMOLS-id_318097957	361.236	KMNDDSWOYALKSW-BNOWGMLFSA-N	00100010100000110001010000000000000000000000000000000000	22-01-146320
Brc1cc(S(=O)(=O)NC2C3C2CNC3)c(OCC)cc1	PC-id_43597356	361.255	MJKFYNVTNSJPBY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-146321
COc1nsc(c1Br)CNC(=O)C12CC1COC2(C)C	EMOLS-id_316566701	361.255	HSDRCUQHNINFJR-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-146322
C1C2C(C2C(=NOCc2ccccc2)c2cc(c(cc2)Cl)Cl)CN1	PC-id_89816776,SCHEMBL15274095	361.265	GSADHRBEXGCAOU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-146323
O=C([C@@H]1[C@@H]2[C@H]1CNC2)NCc1ccccc1c1ccc(cc1Cl)Cl	EMOLS-id_319269768	361.265	CRKBSAARSGVPSC-VQFNDLOPSA-N	00100010000000110000110000000000000000000000000000000000	22-01-146324
O=C([C@@H]1[C@@H]2[C@H]1CNC2)NC(c1ccc(cc1)Cl)c1ccc(cc1)Cl	EMOLS-id_319553564	361.265	DBGHJBNMMRKHHD-FVQHAEBGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-146325
O=C([C@@H]1[C@@H]2[C@H]1CNC2)NC(c1ccc(c(c1)Cl)Cl)c1ccccc1	EMOLS-id_318976995	361.265	VFLRLRAYNGEYAJ-GHJHHLCSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-146326
CCCC1=CC=C([C@H]2N1C2)CNC(=O)[C@@H]1CCCC(C1)C(NC(C)C)O	PC-id_163559059	361.273	FPPUBRQXMGHDAA-UTUGHZJWSA-N	00100000000011000000010000000000000000000000000000000000	22-01-146327
Brc1ccc(/C(=N/NC(=O)C2C3C2CCC=CCC3)/C)cc1	EMOLS-id_25842374,PC-id_6043926	361.276	XXFRCUJHYHFFDP-LDENRPHXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-146328
Brc1ccc(/C(=N/NC(=O)C2[C@H]3[C@H]2CCC=CCC3)/C)cc1	PC-id_11909306	361.276	XXFRCUJHYHFFDP-GUHJQUSUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-146329
Brc1ccc(C(=NNC(=O)C2[C@@H]3[C@@H]2CCC=CCC3)C)cc1	PC-id_26974324	361.276	XXFRCUJHYHFFDP-HOTGVXAUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-146330
Brc1ccc(/C(=N/NC(=O)C2[C@@H]3[C@@H]2CCC=CCC3)/C)cc1	PC-id_39449509	361.276	XXFRCUJHYHFFDP-DKHQEEFTSA-N	00100000000000110110010000000000000000000000000000000000	22-01-146331
Brc1ccc(/C(=N/NC(=O)C2[C@@H]3[C@H]2CCC=CCC3)/C)cc1	PC-id_5457306	361.276	XXFRCUJHYHFFDP-MCXDXBDBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-146332
Brc1ccc(C(=NNC(=O)C2[C@H]3[C@@H]2CCC=CCC3)C)cc1	PC-id_9704266	361.276	XXFRCUJHYHFFDP-SJPCQFCGSA-N	00100000000000110110010000000000000000000000000000000000	22-01-146333
C12CCC=CCCC1C2C(=O)NN=C(C)c1ccc(cc1)Br	PC-id_4234029,MCULE-7756660747	361.276	XXFRCUJHYHFFDP-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-146334
C/C(=NNC(=O)C1C2CCC=CCCC12)/c1ccc(Br)cc1	EMOLS-id_25842374	361.276	XXFRCUJHYHFFDP-SVNRBWSRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-146335
Fc1cc(CC2CC3C(C2(N)C(=O)O)C3C(=O)O)cc(c1)C(F)(F)F	SCHEMBL8763448,PC-id_67685079	361.288	UBZLGGCCKXFUSK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146336
O=CNC(=O)/C(=CN(C1C=C2C(C1)(N2NN)OCP(=O)(O)O)C)/C	PC-id_145339383	361.291	MBMSSYZEQSLEJD-YVMONPNESA-N	00100011000000000000010000000000000000000000000000000000	22-01-146337
COC(=O)OCOC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)OCOC(=O)OC	SCHEMBL8354226,PC-id_60131595	361.301	RIXKAWYRGZNWRK-FMCOEWMSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-146338
O(C(=O)C1C2C1CCC2(N)C(=O)OCOC(=O)OC)COC(=O)OC	PC-id_72658722	361.301	RIXKAWYRGZNWRK-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-146339
CCCO[C@@H]1C[C@@H]2[C@]([C@]1(NC(=O)OCC=C)C(=O)O)([C@@]2(F)C(=O)O)O	SCHEMBL19508599	361.32	HYQKMUYUTRPMEF-TYWRASTISA-N	00100010000010000000010000000000000000000000000000000000	22-01-146340
S(=O)(=O)(N1C(=O)C2C(C2C(=O)C(F)(F)F)CC1)c1ccc(cc1)C	PC-id_75216742	361.336	WKCRPXDJYPLMNT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146341
S(=O)(=O)(N1C(=O)[C@@H]2[C@@H]([C@H]2C(=O)C(F)(F)F)CC1)c1ccc(cc1)C	PC-id_46837293	361.336	WKCRPXDJYPLMNT-IJLUTSLNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146342
CC(=O)O[C@@H]([C@H]1O[C@@]2([C@]([C@@]1(O)NC(=O)C)(C2(C)C)O)O)COC(=O)C	PC-id_122699295,SCHEMBL18241587	361.344	PPIHNRCTGIMEFB-BBIZWXPBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-146343
CC1C(CC(C(O1)OC1C(C(C(C2C1O2)O)O)O)N)N=C(C(=O)O)N	PC-id_89372724	361.348	JVPGFXCFTQUFPG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-146344
N[C@H]1CC(NC(=N)C(=O)O)C(OC1O[C@@H]1C(O)C(O)C([C@H]2[C@@H]1O2)O)C	SCHEMBL14572749	361.348	JVPGFXCFTQUFPG-OKOJBALFSA-N	00100000000010000000010000000000000000000000000000000000	22-01-146345
C(C(=O)O)(F)(F)F.N1([C@@H]2[C@@H](C2)CC1C#N)C(=O)C(C1CCCCC1)N	CHEMBL430452	361.359	QMDMZULSFFYIKA-PKNMQIIOSA-N	00100010000010000000010000000000000000000000000000000000	22-01-146346
C(C(=O)O)(F)(F)F.N1([C@@H]2[C@@H](C2)CC1C#N)C(=O)C(C1(C)CCCC1)N	CHEMBL86800	361.359	CZQXXIFXGFLQIV-DYQVDWDDSA-N	00100010000000000000010000000000000000000000000000000000	22-01-146347
CCC(c1[nH]nc(n1)S[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C)C(=O)O)(F)F	PC-id_121354138,SCHEMBL17772216	361.364	IMZZRASOUWMKND-SOWNUHFISA-N	00100010100010000001010000000000000000000000000000000000	22-01-146348
CC(COC(=O)C)C(=O)NC1(CS(=O)(=O)C2C1C2C(=O)OC)C=O	PC-id_88284120	361.368	FMHYPQLSZAZCRV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-146349
COC(=O)[C@@H]1[C@@H]2[C@H]1S(=O)(=O)C[C@]2(C=O)NC(=O)[C@H](COC(=O)C)C	SCHEMBL8351076	361.368	FMHYPQLSZAZCRV-YOZPMTMWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-146350
CCC(C(P(=O)(O)O)(C1=CN=C(C2(C1(CO)C2(C)C)O)C)CC)O	SCHEMBL4576151,PC-id_69099815	361.37	FIVXJVPOAWYQCA-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-146351
CCOC(=O)C12CC=CC(N1C2[P+](OC(C)C)(OC(C)C)[O-])OC	PC-id_101492810	361.37	RLVQLFHQDDCFRP-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-146352
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1cccc(c1C)C(F)(F)F	EMOLS-id_112095533	361.379	MRZGWJIESXOEPD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146353
O=C(N1CCN(CC1)c1nnc(s1)C(F)(F)F)NC1CC2C(C1)C2	EMOLS-id_102210022	361.386	ZGRIHGIJCNKLQQ-UHFFFAOYSA-N	00100010100010000001110000000000000000000000000000000000	22-01-146354
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1)CCC(C)(C)O	PC-id_135093487,ZINC22_1704310126,MCULE-3857414468,EMOLS-id_317366114	361.389	OYBKZZLKUPBVPA-KDURUIRLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-146355
CCc1nnnn1c1ccccc1NC(=O)CC12CCCCC1C2(F)F	EMOLS-id_316875774,MCULE-2298513028	361.389	PRQYJYDTVZMLJE-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-146356
CCc1nnnn1c1ccccc1NC(=O)C[C@@]12CCCC[C@H]1C2(F)F	ZINC22_668908948	361.389	PRQYJYDTVZMLJE-PBHICJAKSA-N	00100000100010110001110000000000000000000000000000000000	22-01-146357
CCc1nnnn1c1ccccc1NC(=O)C[C@]12CCCC[C@H]1C2(F)F	ZINC22_668908954	361.389	PRQYJYDTVZMLJE-RHSMWYFYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-146358
CCc1nnnn1c1ccccc1NC(=O)C[C@]12CCCC[C@@H]1C2(F)F	ZINC22_668908956	361.389	PRQYJYDTVZMLJE-WMLDXEAASA-N	00100000100010110001110000000000000000000000000000000000	22-01-146359
CCc1nnnn1c1ccccc1NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F	ZINC22_668908957	361.389	PRQYJYDTVZMLJE-YOEHRIQHSA-N	00100000100010110001110000000000000000000000000000000000	22-01-146360
CCOC(=O)C1C2C1C(C(C2)O)(C(=O)OCc1ccccc1)NC(=O)C	PC-id_86755667	361.389	JLGASELVDDGKEU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146361
N#C[C@@H](c1cccc(c1)Oc1ccccc1)O[C@H]1C(=O)C(=O)[C@@H]2[C@H]1C2(C)C	SCHEMBL11295960,PC-id_70557034	361.391	DFCJUVWNQGFOHL-LXGFNABISA-N	00100010000000110000010000000000000000000000000000000000	22-01-146362
O(C1C2C(C2C(=O)C1=O)(C)C)C(c1cc(Oc2ccccc2)ccc1)C#N	PC-id_76066256	361.391	DFCJUVWNQGFOHL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-146363
O([C@@H]1C2C(C2C(=O)C1=O)(C)C)[C@H](c1cc(Oc2ccccc2)ccc1)C#N	PC-id_53756904	361.391	DFCJUVWNQGFOHL-GHQDRPGLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-146364
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S1(=O)(=O)[C@@H]2[C@H]([C@@](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C)(C1)C(=O)O)[CH]2	PC-id_58403733	361.391	RQQBTDKDGQFLLB-KSCJFIISSA-N	00100010000000000000010000000000000000000000000000000000	22-01-146366
C12(CCCCC1C2C(=O)NN=Cc1cc(OC)c(cc1N(=O)=O)OC)C	PC-id_3865127,MCULE-9740125867	361.392	KNHUWRAENMYBRW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146367
C12(CCCCC1C2C(=O)NN=Cc1cc(OCC)c(c(N(=O)=O)c1)O)C	PC-id_136697500,MCULE-1545227704	361.392	CAZHQBFCYZCVHJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146368
CCOc1cc(cc(c1O)[N+](=O)[O-])/C=NNC(=O)[C@H]1[C@H]2[C@@]1(CCCC2)C	CoCoCo_6391698,PC-id_135958121	361.392	CAZHQBFCYZCVHJ-QCKHFDAZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146369
CCOc1cc(cc(c1O)[N+](=O)[O-])/C=NNC(=O)[C@@H]1[C@H]2[C@@]1(CCCC2)C	PC-id_135958120,CoCoCo_6391700	361.392	CAZHQBFCYZCVHJ-KZVCJTNUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146370
CCOc1cc(cc(c1O)[N+](=O)[O-])/C=NNC(=O)[C@@H]1[C@@H]2[C@]1(CCCC2)C	PC-id_136811530,CoCoCo_6391703	361.392	CAZHQBFCYZCVHJ-DKNVUJLQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146371
CCOc1cc(cc(c1O)[N+](=O)[O-])/C=NNC(=O)[C@@H]1[C@H]2[C@]1(CCCC2)C	PC-id_136811531	361.392	CAZHQBFCYZCVHJ-GKHNULNVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146372
CCOc1cc(cc(c1O)[N+](=O)[O-])/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(CCCC2)C	PC-id_136856960	361.392	CAZHQBFCYZCVHJ-XUZZEHLLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146373
CCOc1cc(cc(c1O)[N+](=O)[O-])/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(CCCC2)C	PC-id_136856961	361.392	CAZHQBFCYZCVHJ-APRSCZNSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146374
CCOc1cc(/C=N/NC(=O)C2C3CCCCC23C)cc(c1O)[N+](=O)[O-]	PC-id_135641452,EMOLS-id_49854984	361.392	CAZHQBFCYZCVHJ-VXLYETTFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146375
CCOc1cc(/C=N/NC(=O)[C@H]2[C@@H]3[C@@]2(C)CCCC3)cc(c1O)[N+](=O)[O-]	CoCoCo_6391697,CoCoCo_6391702	361.392	CAZHQBFCYZCVHJ-GTRCDYFZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146376
CCOc1cc(/C=N/NC(=O)[C@H]2[C@H]3[C@]2(C)CCCC3)cc(c1O)[N+](=O)[O-]	CoCoCo_6391699	361.392	CAZHQBFCYZCVHJ-GXGCMBLYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146377
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3[C@]2(C)CCCC3)cc(c1O)[N+](=O)[O-]	CoCoCo_6391701	361.392	CAZHQBFCYZCVHJ-ZHYKGULVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146378
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3[C@@]2(C)CCCC3)cc(c1O)[N+](=O)[O-]	CoCoCo_6391704	361.392	CAZHQBFCYZCVHJ-CASSYIQYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146379
COc1cc(/C=N/NC(=O)C2C3CCCCC23C)c(cc1OC)[N+](=O)[O-]	PC-id_9639498,EMOLS-id_26683193	361.392	KNHUWRAENMYBRW-VXLYETTFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146380
COc1cc([N+](=O)[O-])c(cc1OC)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562135	361.392	KNHUWRAENMYBRW-FZXIHYQPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146381
COc1cc([N+](=O)[O-])c(cc1OC)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562136	361.392	KNHUWRAENMYBRW-RFLJPTEQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146382
COc1cc([N+](=O)[O-])c(cc1OC)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562137	361.392	KNHUWRAENMYBRW-UOFOMLAWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146383
COc1cc([N+](=O)[O-])c(cc1OC)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562138	361.392	KNHUWRAENMYBRW-PJKGRTALSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146384
COc1cc([N+](=O)[O-])c(cc1OC)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6562140,CoCoCo_6562139	361.392	KNHUWRAENMYBRW-CLZUWWFZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146385
COc1cc([N+](=O)[O-])c(cc1OC)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6562141	361.392	KNHUWRAENMYBRW-SERDLKPFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146386
COc1cc([N+](=O)[O-])c(cc1OC)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6562142	361.392	KNHUWRAENMYBRW-JWVDKRPRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146387
COc1cc([N+](=O)[O-])c(cc1OC)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98070041	361.392	KNHUWRAENMYBRW-MDGLUMLYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146388
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BrCC1(CC2C(C2)C1)Cc1c(Br)cc(F)cc1	PC-id_80473527	362.075	AJBXERLCXPWILR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146514
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O=C(NN=Cc1c([N+](=O)[O-])cc(OC)c(OC)c1)[C@@H]1[C@]2([C@@H]1CCCC2)C	PC-id_11917279	361.392	KNHUWRAENMYBRW-XHBKTUGNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146393
O=C(NN=Cc1c([N+](=O)[O-])cc(OC)c(OC)c1)[C@H]1[C@@]2([C@H]1CCCC2)C	PC-id_26476582	361.392	KNHUWRAENMYBRW-IWEFOYFVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146394
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CC(CC1CCC(CN1C(C)(C)C)CC(N1C[C@H]2[C@@H]([C@H]1C(C)C)C2)C)C	SCHEMBL18930082	362.635	QVLXBMFIJOEGPQ-UBOLLCRFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-146822
CC(N1C2C(C2CC(C2CCCN2C(C)(C)C)(C)C)CC1C(C)(C)C)C	SCHEMBL20878274,PC-id_138525552	362.635	SGPSBJCKHOVVMP-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-146823
CC(N1CC2C(C1C(CCC(N1CCCC1C(C)(C)C)(C)C)(C)C)C2)C	SCHEMBL18596070	362.635	HHCFJDVVXMMIIY-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-146824
CC1CCC2C(C1)([Ba]CNCC(=O)O)C2(C)C	SCHEMBL15671202	362.654	VCCSPFWWRZDLAY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-146825
[Si]1(O[Si](O[SiH](O[Si](O1)C)C)C)(CCC1CC2OC2CC1)C	PC-id_59456197	362.674	DAYOZQUNRWVPSO-UHFFFAOYSA-N	00100000000010000101010000000000000000000000000000000000	22-01-146826
CCCC(C(C)C)C1(CC(CCCC2C1C2CCCCC(C)CC)C)C	PC-id_91525837	362.675	MKSHZDUMNISWGI-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-146827
CCCCCCCCC1CCCCCCC2C(C2C(CCCCC1)C)C	PC-id_90780428	362.675	SEFMZKKQLJEUIO-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-146828
[Si](O[Si](C)(C)C)(O[Si](OC)(C)C)(CCC1C2OC2CCC1)C	PC-id_22942595	362.685	BSVXJAKGWLXFJD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-146829
Brc1sc(C(NCCC)C2C3C2CCCC3)cc1Cl	PC-id_81631320	362.756	AGBVBMRBJOHGGQ-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-146830
CCCNC(C1C2C1CCCC2)c1cc(c(s1)Cl)Br	PC-id_102828792	362.756	RZLGZHNKGVXADI-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-146831
C1CC(C2(C1C2O)O)(Nc1c(c(nc(n1)N)Cl)C#Cc1cocc1)O	PC-id_91194543	362.768	BTWBPMOKHRDYLI-UHFFFAOYSA-N	00100010101010100001010000000000000000000000000000000000	22-01-146832
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COCCOC1=C(C2(C(O2)(C=C1OC)C=COC)Cl)OCCOC	SCHEMBL8382327,PC-id_88289986	362.803	HBJXXFMXGUSXNN-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-146834
COCCOCOC1=CC2(C=C)OC2(C=C1OCOCCOC)Cl	SCHEMBL7960521	362.803	MBKHGARQXVDGRT-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-146835
ClC(N(S(=O)(=O)NC(=O)c1ccccc1)F)O[C@@]12CCC[C@H]1C2	PC-id_140761457	362.804	DSTZAUZZLLHRIX-JDZGAICCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146836
CNS(=O)(=O)NC(=O)c1cc(c(cc1F)OC1CC2CC2C1)Cl	PC-id_91809377	362.804	AHNFDJNPKKFEBR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146837
CNS(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)OC1C[C@@H]2[C@H](C1)C2	BindingDB_PC-id_91809377	362.804	AHNFDJNPKKFEBR-JVHMLUBASA-N	00100010000010110000010000000000000000000000000000000000	22-01-146838
CNS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3C[C@@H]3C2)cc1F	SCHEMBL16448502,BindingDB-id_281948	362.804	AHNFDJNPKKFEBR-BRPSZJMVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146839
CNN(c1ccc(cc1Cl)F)C(=O)C1CC2([C@](C1=O)(C2(C)C)C)C#C	PC-id_143419747	362.826	AHPZOXRHYVKUTR-NCEKKXQESA-N	00100010000000110000010000000000000000000000000000000000	22-01-146840
Clc1cc(CN(CC2C3C2CN(C3)C)C(=O)c2[nH]cnc2)ccc1F	SCHEMBL710020,PC-id_66775555	362.829	SCKHRDRMXSQIAQ-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-146841
BrC(C1C2C1CCC2)c1c(Cl)cc(OCC)c(Cl)c1	PC-id_81835855	364.105	QUDDNBKMRFDUNS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-147112
Clc1cc(CN(CC2C3C2CNC3)C(=O)c2ncn(c2)C)ccc1F	PC-id_56667242	362.829	HTUXUNBQNWREPD-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-146842
Clc1cc(CN(CC2[C@@H]3[C@H]2CNC3)C(=O)c2ncn(c2)C)ccc1F	BindingDB_PC-id_45267808,PC-id_45267808	362.829	HTUXUNBQNWREPD-PBWFPOADSA-N	00100010100000110001010000000000000000000000000000000000	22-01-146843
Cn1cnc(C(=O)N(Cc2ccc(F)c(Cl)c2)C[C@@H]2[C@H]3CNC[C@@H]23)c1	CHEMBL560289	362.829	HTUXUNBQNWREPD-WDNDVIMCSA-N	00100010100000110001010000000000000000000000000000000000	22-01-146844
Clc1cc(c2sc(nc2C(=O)N2C(C3C(C3)C2)C(=O)N)N)ccc1	PC-id_76542684	362.834	MJBCJARSDZQBAQ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-146845
Clc1cc(c2sc(nc2C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)C(=O)N)N)ccc1	PC-id_57489276,SCHEMBL2926986	362.834	MJBCJARSDZQBAQ-UISBYWKRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-146846
CC1(CC1)C(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137399042,SCHEMBL20630620	362.851	MXWXLZHRKXASRI-SSHXOBKSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146847
CC1CC1C(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	SCHEMBL20631540,PC-id_137399871	362.851	NAQLXPVFEZAYJW-QEZAIFLJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146848
Clc1c2-c(c2)cc1S(=O)(=O)c1ccc(C2N(CCNC2)CC)cc1	PC-id_70137057	362.874	XKRGHRVUTYWZTF-UHFFFAOYSA-N	00110010100010110001110000000000000000000000000000000000	22-01-146849
Clc1c2-c(c2)cc1S(=O)(=O)N1CC(N(CC1)CC)c1ccccc1	PC-id_70137948	362.874	CJDQPFFACJGTBO-UHFFFAOYSA-N	00110010100010110001110000000000000000000000000000000000	22-01-146850
OC1CCN(CC1)C(=O)C12SC(=NC1C2)C#CC1=CC=C(CC1)Cl	PC-id_144176188	362.874	UOGHTMZFLSLWLM-UHFFFAOYSA-N	00100011000011000001010000000000000000000000000000000000	22-01-146851
C1CCC(CC1)C(c1ccccc1)(C(=O)NCC1C2C1CN(C2)Cl)O	PC-id_87676681	362.894	MSLQHAJDTNCTQL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146852
Clc1ccc(cc1)C1CC(C1)NC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_113934573	362.894	CVHAKKANSLAXQE-UHFFFAOYSA-N	00101010000000110000110000000000000000000000000000000000	22-01-146853
Clc1cc(CNC(=O)C2C3C2CN(C3)CC2(O)CCCCC2)ccc1	PC-id_66775857,SCHEMBL711117	362.894	CYWCDNBBXHJFKB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146854
ClN1CC2[C@H](C1)[C@H]2CNC(=O)C(c1ccccc1)(C1CCCCC1)O	SCHEMBL4476888	362.894	MSLQHAJDTNCTQL-LBVWLFBPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146855
Clc1ccccc1CO[C@@H]1CCC([C@H]2[C@]1(C)O2)(C)Cc1ccsc1	PC-id_139958572	362.913	KDNYUWPBHDNMPJ-JIRNRHONSA-N	00100000100110110000010000000000000000000000000000000000	22-01-146856
CCCCOC/C(=C/CC/C(=C/Cc1c(O)c(Cl)c(c2c1C2)C)/C)/C	PC-id_145677031	362.933	ZQNIFXHWWWUJIL-BXIATTARSA-N	00100000000000100000010000000000000000000000000000000000	22-01-146857
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Clc1ccccc1CN1C[C@@H]2[C@H](C1)C2COCCCN1CCCCC1	PC-id_11696233,SCHEMBL5793281	362.937	RXDIQFMQEYUUST-YOFSQIOKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146859
Clc1cccc(c1)CN1C[C@@H]2[C@H](C1)C2COCCCN1CCCCC1	SCHEMBL5795132,PC-id_11494273	362.937	HSYJWUCJOPRJRS-WCRBZPEASA-N	00100010000010110000010000000000000000000000000000000000	22-01-146860
Clc1ccc(cc1)CN1C[C@@H]2[C@H](C1)C2COCCCN1CCCCC1	SCHEMBL5908092,PC-id_11631928	362.937	MGYKSWIEJFWFBJ-WCRBZPEASA-N	00100010000010110000010000000000000000000000000000000000	22-01-146861
Clc1ccccc1CN1C[C@@H]2[C@H](C1)[C@H]2COCCCN1CCCCC1	SCHEMBL5793278	362.937	RXDIQFMQEYUUST-PMOLBWCYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146862
Clc1ccccc1CN1C[C@@H]2[C@H](C1)[C@@H]2COCCCN1CCCCC1	SCHEMBL5793279	362.937	RXDIQFMQEYUUST-ACDBMABISA-N	00100010000010110000010000000000000000000000000000000000	22-01-146863
Clc1cccc(c1)CN1C[C@@H]2[C@H](C1)[C@@H]2COCCCN1CCCCC1	SCHEMBL5795134	362.937	HSYJWUCJOPRJRS-WKCHPHFGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146864
Clc1cccc(c1)CN1C[C@@H]2[C@H](C1)[C@H]2COCCCN1CCCCC1	SCHEMBL5795137	362.937	HSYJWUCJOPRJRS-AERCQKQUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146865
Clc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@H]2COCCCN1CCCCC1	SCHEMBL5796832	362.937	MGYKSWIEJFWFBJ-AERCQKQUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146866
Clc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@@H]2COCCCN1CCCCC1	SCHEMBL5796833	362.937	MGYKSWIEJFWFBJ-WKCHPHFGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146867
Clc1cc(CN2CC3C(C3COCCCN3CCCCC3)C2)ccc1	PC-id_72983486	362.937	HSYJWUCJOPRJRS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146868
Clc1c(CN2CC3C(C3COCCCN3CCCCC3)C2)cccc1	PC-id_73065130	362.937	RXDIQFMQEYUUST-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146869
C1CC(C2C1C2)CC(=O)NS(=O)(=O)C3=CC(=CS3)Br	EMOLS-id_112080518,PC-id_154781375,MCULE-8951664661	362.96	NWJZHXVGBGMHJS-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-146870
CCCCCCCCCCCCCCCCCC1c2c1c(Cl)ccc2	SCHEMBL19103593	363.019	WCYUPNOYQZIIGZ-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-146871
C[C@@H](C1=C(C=C(C=C1)F)F)NC2=C3CC3C(=O)C(S2)(C)C(F)(F)F	PC-id_154546368	363.072	QKCYQRCQNHTFKV-HAPPEMFZSA-N	00100000000011110000010000000000000000000000000000000000	22-01-146872
C1[C@@H]([C@@H]2C[C@@H]2[C@@H]1NC3=NC(=NC=C3F)Cl)CSCC4=CC=CC=C4	PC-id_153694521	363.097	SVOPEKPIEUBEBS-ORIJERBGSA-N	00100010000010110001010000000000000000000000000000000000	22-01-146873
Ic1cc([N+](=O)[O-])c(NC2C3C2CNC3)cc1F	PC-id_66102036	363.127	YOMJHKGWTOUWPB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-146874
CC(C)(C)OC(=O)NNc1ccc(cc1)C(=O)ON1C2C(O2)CCC1=O	PC-id_164145774	363.143	ZAGPQCWAURFWHJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146875
C/C=CCCC(C1C2CC2CC1NS(=O)(=O)C3=CC=CC=C3)C(=O)O	PC-id_153866802	363.15	DHZBAFRGKTUOQB-IHWYPQMZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146876
[3H]C1(CC2C(C2(C1C(=O)OCC3=CC=CC=C3)NC(=O)C)C(=O)OCC)O	PC-id_154353397	363.161	ARGRJANFMWYCNO-UUEKIZJGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146877
C(C1C(C(C(C(O1)OC1(C2C(O2)C(O1)CCl)CCl)O)O)F)O	PC-id_88731986	363.164	SIYPLKURQYRBAA-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-146878
OC[C@H]1O[C@H](O[C@]2(CCl)O[C@@H]([C@H]3[C@@H]2O3)CCl)[C@@H]([C@H]([C@H]1F)O)O	SCHEMBL11145572	363.164	SIYPLKURQYRBAA-NQDOVTBYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-146879
OC[C@H]1O[C@H](O[C@]2(CCl)O[C@@H]([C@H]3[C@H]2O3)CCl)[C@@H]([C@H]([C@H]1F)O)O	SCHEMBL11145574	363.164	SIYPLKURQYRBAA-QPJVHXHDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-146880
OC(=O)C1C(OCc2ccc(c(c2)Cl)Cl)CC2C1C2(F)C(=O)O	PC-id_144258209	363.165	HMEAKCYUAYWDBF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146881
CC1([C@@H]2[C@H]1[C@H](C(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)O)C	PC-id_164785135	363.166	DQQYRJHWQRNZCT-QVPQRREFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-146882
CC(C)(C)C1=CC=C(C=C1)[Si](C2=CC=CC=C2)OC34CCCC3C4C=O	PC-id_153288935	363.178	NIWPUXWSZKXZLB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-146883
CC(C)COC1=CC(=O)N(N=C1C(C)C)CC(=O)NC23CC2(C3)C(=O)O	PC-id_164914118	363.179	CRWXFPYUGMYORW-UHFFFAOYSA-N	00101000000000100001010000000000000000000000000000000000	22-01-146884
CCC(=O)C1=CC(=CC(=N1)CC2=CC=CC=C2)C(=O)CC3[C@H]4[C@@H]3CC(C4)O	PC-id_161280441	363.183	QIEIUVOORGJLOW-REPIYIIUSA-N	00100010000010111000010000000000000000000000000000000000	22-01-146885
CC(=O)Cc1c(ccc(c1F)OC1C2C1CCCCCCCC2)[N+](=O)[O-]	PC-id_163877248	363.185	PPYTUSRLINRCGI-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-146886
CC1=CC(=CC=C1)CC2=NC(=CC(=C2)C(=O)CC3[C@H]4[C@@H]3CNC4)C(=O)NC	PC-id_162223556	363.195	ZULLESOYNJMUQU-YQQQUEKLSA-N	00100010000000111000010000000000000000000000000000000000	22-01-146887
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IC1C2N(S(=O)(=O)c3ccc(cc3)C)C2CC1	PC-id_85189370	363.215	OAPPBTVVXVKUSQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-146889
Ic1ccc(S(=O)(=O)N2C3C2CCCC3)cc1	PC-id_15325027	363.215	YKZZFDPEKKHJCP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-146890
I[C@H]1[C@@H]2N(S(=O)(=O)c3ccc(cc3)C)[C@@H]2CC1	PC-id_10570682	363.215	OAPPBTVVXVKUSQ-SUGHYIJHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-146891
CC1CC=C(C=C[C@@H]1O)/C=C/[C@H](C)SCN(CO)C23CCCC[C@H]2C3	PC-id_148019991	363.223	JAMZNULYBAKUEJ-LOELEHBUSA-N	00100000000010000110010000000000000000000000000000000000	22-01-146892
Fc1ncc(c(n1)NC1C2C1CN(C2)Cc1ccccc1)Br	MCULE-5648182950	363.227	IOTLCAMXMHGROX-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-146893
Fc1ncnc(c1Br)NC1C2C1CN(C2)Cc1ccccc1	MCULE-7830819495	363.227	FFHPDQXEFYVQBC-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-146894
CCN([C@H]1CCC[C@H](C2[C@H]1C2)NCC3=CC=CC=C3)C(=O)C4=CC=CC=N4	PC-id_155076758	363.231	KZYCQPVLZAMFIV-GLUDTDLXSA-N	00100000000000111100010000000000000000000000000000000000	22-01-146895
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CC(C1CC1(Cl)Cl)NC(=O)C1CC2CC2N1C(=O)OC(C)(C)C	PC-id_90019420	363.279	DMKIHUMFZOMSFQ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-146897
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Brc1ccc(/C(=N/NC(=O)C2[C@H]3[C@@H]2CCCCCC3)/C)cc1	PC-id_5457694	363.292	ZKRLHAHTCILYHT-WDHUWGKVSA-N	00100000000000110100010000000000000000000000000000000000	22-01-146901
Brc1ccc(/C(=N/NC(=O)C2[C@@H]3[C@@H]2CCCCCC3)/C)cc1	PC-id_6977856	363.292	ZKRLHAHTCILYHT-BXRKRMDBSA-N	00100000000000110100010000000000000000000000000000000000	22-01-146902
Brc1cc(/C(=N/NC(=O)C2C3C2CCCCCC3)/C)ccc1	PC-id_56695642	363.292	OBUGXADSESPYGG-UDWIEESQSA-N	00100000000000110100010000000000000000000000000000000000	22-01-146903
Brc1cc(C(=NNC(=O)C2C3C2CCCCCC3)C)ccc1	PC-id_76396798	363.292	OBUGXADSESPYGG-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-146904
C[C@H](C(=O)OC(C)C)NP(=O)OC1[C@@H]2[C@]1(O)[C@@]([C@@H](O2)N)(C)N=[N+]=[N-]	SCHEMBL20820194	363.307	NOPFBAHRIHEPKZ-MMIBWAMTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-146905
BrC1=C([C@@H](O)[C@]2(O[C@H]2C1=O)C)CO[Si](C(C)(C)C)(C)C	PC-id_15605973	363.32	OHPNXLVQNLNSIJ-MBNYWOFBSA-N	00100000000011000000010000000000000000000000000000000000	22-01-146906
BrC1=C[C@@H](O[Si](C(C)(C)C)(C)C)[C@@H]2O[C@@H]2[C@H]1OC(=O)C	PC-id_11337437	363.32	QHICEPVGECXPBZ-MROQNXINSA-N	00100000000011000000010000000000000000000000000000000000	22-01-146907
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C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(c(cc1O)O)Br	PC-id_136886702	367.238	IHVAGGMSWGNIES-VZWHUWGPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148252
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1cc(c(cc1O)O)Br	PC-id_136911400,CoCoCo_105093	367.238	IHVAGGMSWGNIES-ZLPVVKLJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148253
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1cc(c(cc1O)O)Br	PC-id_136911401,CoCoCo_105090	367.238	IHVAGGMSWGNIES-CDRZCLTDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148254
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=Cc1cc(c(cc1O)O)Br	PC-id_137030633	367.238	IHVAGGMSWGNIES-JENIJJAISA-N	00100000000010110000010000000000000000000000000000000000	22-01-148255
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(c(cc1O)O)Br	PC-id_137088993	367.238	IHVAGGMSWGNIES-DQRNGZHUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148256
O=C([C@@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=Cc1cc(Br)c(cc1O)O	CoCoCo_105095	367.238	IHVAGGMSWGNIES-PBRVFAHASA-N	00100000000010110000010000000000000000000000000000000000	22-01-148257
Cc1ccc(nc1NC(=O)[C@@H]1C[C@@]2([C@H](N1)C2)CNC(=O)C)Br	SCHEMBL20488582,PC-id_135318733	367.241	YODTXQWTNWWFHH-RWSFTLGLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-148258
C1C2C(C2C(=O)O)CN1C(=O)c1c(cc(cc1)C(F)(F)F)C(F)(F)F	PC-id_91832176	367.243	MDRGBZBQZQIRJF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148259
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C(=O)c1ccc(cc1C(F)(F)F)C(F)(F)F	ZINC22_244723558,EMOLS-id_55628320,MCULE-7602583835	367.243	MDRGBZBQZQIRJF-JZYVYDRUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148260
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Ic1ccc(CC2(CC3C(C3)C2)CNC2CC2)cc1	PC-id_80471182	367.268	HNZHWTOGOQFRLN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-148262
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COC(=O)CCCCCCC(=O)NOCC1CCCCCC2CC2CC1	PC-id_147666817	367.272	GMLRUBUUMPTRKK-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-148267
CC1=NN(C=C1C2=NN=C(C=C2)CC3[C@H]4[C@@H]3CN(C4)CC(C)C(C)(C)C)C	PC-id_161142611	367.274	UNQJFRBOYKWPQP-CJBMRXNCSA-N	00100010100000100001110000000000000000000000000000000000	22-01-148268
Brc1cccc(c1)CNC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_107238409	367.281	WHQWLCFDIKYYLH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148269
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Cc1c(ccc(c1)Br)OCC(C)(C)NC(=O)C1C2C1CNC2	SCHEMBL19724866,PC-id_86293318	367.281	GXKZNHUNMPQPDT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148271
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Brc1cccc(c1)CN(c1ccccc1)CC1=CC2C(=CN1)C2	PC-id_143657991	367.282	LGIJLJNJKHSSNS-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-148276
Clc1cc(C(=O)NCC2C3C2CN(C3)CC2CCCC2)cc(Cl)c1	PC-id_75245391	367.313	RUZUQFYMMUPIPE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148277
Clc1cc(C(=O)NCC2[C@@H]3[C@H]2CN(C3)CC2CCCC2)cc(Cl)c1	PC-id_46943254	367.313	RUZUQFYMMUPIPE-AYHJJNSGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148278
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O=C(NCC1[C@@H]2COC[C@@H]12)c1nn(c2ccccc2C(F)(F)F)cc1O	ZINC22_376487557	367.322	MJDXHSUBGLGXNW-QWRGUYRKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-148281
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Nc1nccc(c1C(=N)c1ccc2c(c1)c2=O)c1cccc(c1)C(F)(F)F	PC-id_144647007	367.324	XENBJBOFORWXQB-UHFFFAOYSA-N	00010000000000111000110000000000000000000000000000000000	22-01-148283
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O1C(C2N(C2C1=O)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	PC-id_85398914	367.352	UOVVOLVLCUAMDN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148286
O1[C@@H]([C@@H]2N([C@@H]2C1=O)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	PC-id_11100669	367.352	UOVVOLVLCUAMDN-LJEUNREKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148287
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C1[C@@H]2[C@@H](N2C(=O)c2ccc(cc2)[N+](=O)[O-])CN1C(=O)OCc1ccccc1	PC-id_135076464	367.355	ZZEITBSYQVHGRI-QRTHJKPMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148289
CCOC(=O)C1=CC2C(N2P(=O)(C)OCC)C(C1)OS(=O)(=O)C	PC-id_89716621	367.355	PSHMBXQKAMGKLS-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-148290
CCOC(=O)C1=C[C@H]2[C@@H]([C@H](C1)OS(=O)(=O)C)N2P(=O)(OCC)C	SCHEMBL15144341	367.355	PSHMBXQKAMGKLS-KQQNMMABSA-N	00100000000011000000010000000000000000000000000000000000	22-01-148291
Cc1cccc(N2CC[C@H](NC(=O)[C@@]34CNC[C@]3(C(F)(F)F)C4)C2=O)c1	ZINC22_1875392355	367.366	CPJFUAUPAVMZKR-IAOVAPTHSA-N	00100010000000110000110000000000000000000000000000000000	22-01-148292
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CC(C[C@]12C[C@@H]2C[C@H](N(C1)C(=O)O)C#Cc1ncc(nc1)C(F)(F)F)C	PC-id_68282172,SCHEMBL12477155	367.366	SWCNSCZNMROFPL-QEORTHHSSA-N	00100000000010100001010000000000000000000000000000000000	22-01-148294
FC(F)(F)c1ncc(nc1)C#CC1N(CC2(C(C2)C1)CC(C)C)C(=O)O	PC-id_77462215	367.366	SWCNSCZNMROFPL-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-148295
FC(F)(F)Oc1cc(CNCC2C3C2CN(C3)Cc2nocc2)ccc1	PC-id_69471407,SCHEMBL5514030	367.366	DSNVLTDETSMPCX-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-148296
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O1C2C1CC(C2NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	PC-id_53396903	367.395	KQAXLKWCZGUGEK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148302
O(C1C(N)(C2C(C2C(=O)O)C1)C(=O)O)Cc1c(cccc1)c1ccccc1	PC-id_72825563	367.395	MYPWUHQJRLUQBQ-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-148303
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OC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]2(N)C(=O)OCc1cc(Oc2ccccc2)ccc1	PC-id_10287582	367.395	JVVXZEGRAGGEMZ-NTLWEQJWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-148313
Brc1ccccc1C[C@]12CCCCC[C@]1(C2)O[Si](C)(C)C	PC-id_102264539	367.396	OGEBISAJOMEGFV-ZWKOTPCHSA-N	00100000000000110100010000000000000000000000000000000000	22-01-148314
CC(=O)OCC1C(=O)NC2(CC2C=CCCCCN(C(=O)N1)C)C(=O)O	PC-id_91149569	367.397	CZACTRXIBSHMHZ-UHFFFAOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-148315
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O1[C@@H]2[C@H]1[C@@H](O)[C@H](OCc1ccccc1)[C@@H](N=[N+]=[N-])[C@@H]2OCc1ccccc1	PC-id_11100673	367.398	OKOVRIJZDXMRHF-FGSPNWDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148327
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CC(=O)Nc1cc(ccc1F)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319310477	367.417	CCMZWKLHZVYZDB-YRWFTTLQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148332
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Brc1cnc(nc1)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)OC(C)(C)C)C2	PC-id_67081544,SCHEMBL1572424	369.257	SMDRERSSXIKZGF-USWWRNFRSA-N	00100010000000100001010000000000000000000000000000000000	22-01-148913
Brc1cnc(nc1)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C	PC-id_59153372,SCHEMBL2931958	369.257	WASOSHVDHHFPSE-YUSALJHKSA-N	00100010000000100001010000000000000000000000000000000000	22-01-148914
Brc1cnc(nc1)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C	PC-id_66998732,SCHEMBL1340254	369.257	WASOSHVDHHFPSE-ZMLRMANQSA-N	00100010000000100001010000000000000000000000000000000000	22-01-148915
Brc1cnc(NCC2N(C3C(C3)C2)C(=O)OC(C)(C)C)nc1	PC-id_77223033	369.257	SMDRERSSXIKZGF-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-148916
Brc1cnc(NC[C@@H]2N(C[C@H]3[C@@H]2C3)C(=O)OC(C)(C)C)nc1	PC-id_57489329	369.257	WASOSHVDHHFPSE-DLOVCJGASA-N	00100010000000100001010000000000000000000000000000000000	22-01-148917
O=C(N1C[C@@H]2[C@H](C1)C2N(c1cnc(cn1)Br)C)OC(C)(C)C	PC-id_145913041	369.257	RMWVCFOQRPVEKN-HWYHXSKPSA-N	00100010000000100001010000000000000000000000000000000000	22-01-148918
O=C(N1C[C@@H]2[C@H](C1)[C@H]2N(c1cnc(cn1)Br)C)OC(C)(C)C	EMOLS-id_320461087,MCULE-6233403907	369.257	RMWVCFOQRPVEKN-IWIIMEHWSA-N	00100010000000100001010000000000000000000000000000000000	22-01-148919
CC1(C2C1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(O)O)C	PC-id_164133920	369.263	YQFHFGCIXMVUAP-IFWUJCSASA-N	00100010000000000000010000000000000000000000000000000000	22-01-148920
COP(=O)(Oc1ccccc1C(=O)N(C1=CC(=O)C2C(C1)O2)O)OC	SCHEMBL1286397,PC-id_87222949	369.263	QUGSZLLMRFIEOR-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-148921
COP(=O)(Oc1ccccc1C(=O)NC1=CC(=O)C2C(C1O)O2)OC	PC-id_49847761,SCHEMBL1286394	369.263	PEQGYZPWKIEZKJ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-148922
CCCNC(C1C2C1CCC2)Cc1ccc(cc1)I	PC-id_115864051	369.284	JKPVDKWVIWJJPX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-148923
CCCNC(C1CC2C(C1)C2)Cc1ccc(cc1)I	PC-id_115863989	369.284	OMUKXIONVAWMJY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-148924
CCNC(C1C2C1CCCC2)Cc1ccc(cc1)I	PC-id_115863972	369.284	ULERVUHANKJFBU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148925
Ic1ccc(CC2(CC3C(C3)C2)CNC(C)C)cc1	PC-id_80470980	369.284	PNECQEJYFLXDEE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-148926
Ic1ccc(CC2(CC3C(C3)C2)CNCCC)cc1	PC-id_80470991	369.284	VCTUDLDEMOVIBE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-148927
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)N[C@H]1[C@@H]2CNC[C@H]12	ZINC22_333642155	369.289	UOGUAASZZIJAOB-BCUIYNNISA-N	00100010000010110000110000000000000000000000000000000000	22-01-148928
O=C(N[C@@H]1[C@@H]2[C@H]1CNC2)NC1CCCN(C1)c1ccc(cc1Cl)Cl	MCULE-1231763247,EMOLS-id_101900824	369.289	UOGUAASZZIJAOB-UICOTHGISA-N	00100010000010110000110000000000000000000000000000000000	22-01-148929
O=C(N[C@H]1[C@@H]2CNC[C@H]12)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1	ZINC22_333642156	369.289	UOGUAASZZIJAOB-FOCJUVANSA-N	00100010000010110000110000000000000000000000000000000000	22-01-148930
BrC(=C(c1ccccc1)c1ccccc1)C1(O)C2C1CCCC2	PC-id_75630728	369.295	QPJODVFZOXAJDP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148931
BrC(=C(c1ccccc1)c1ccccc1)C1(O)[C@@H]2[C@H]1CCCC2	PC-id_51354817	369.295	QPJODVFZOXAJDP-HTZLVSCSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148932
CCCC1(C2C1(CC(CC2)(C)NNc1cnc(cn1)Br)O)C	PC-id_87281533,SCHEMBL1713461	369.3	MRPAZKVHDUJPQQ-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-148933
Clc1ccc(C(=C=C2C3(C2(CCCC3)C)C)c2ccc(Cl)cc2)cc1	PC-id_11748980	369.327	LQTXHXQNIGZQOA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148934
CC(C)(C)CCN1CC2C(CNC(=O)c3cc(Cl)cc(Cl)c3)C2C1	MCULE-1587623852,EMOLS-id_95584110,CHEMBL4535646,PC-id_75094570	369.329	GSJIGYLGKSBYBC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148935
CC(C)(C)CCN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1	CHEBI:91745,PD015933,PC-id_45115620,BindingDB-id_144269,BindingDB_PC-id_45115620,EMOLS-id_324124390	369.329	GSJIGYLGKSBYBC-ALOPSCKCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148936
CC(C)(C)CCN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1	GRAC-id_7720,SCHEMBL20328320,MCULE-9790486056,EMOLS-id_300733081,PD040622,ZINC22_101772548	369.329	GSJIGYLGKSBYBC-OSYLJGHBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148937
CC(C)(C)CCN1C[C@H]2[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1	ZINC22_252585174,MCULE-3195939989	369.329	GSJIGYLGKSBYBC-BJWYYQGGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148938
Clc1cc(C(=O)NCC2C3C2CN(C3)CC(CC)CC)cc(Cl)c1	PC-id_75245390	369.329	IJNVZJDGKCQVBR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148939
Clc1cc(C(=O)NCC2[C@@H]3[C@H]2CN(C3)CC(CC)CC)cc(Cl)c1	PC-id_46943253	369.329	IJNVZJDGKCQVBR-AYHJJNSGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148940
C=CC[C@H]([C@H]([C@H]1[C@H]2[C@H](C2(C)C)C[C@H]([C@]1(OP)C#C)C)O[P+]#P)C	PC-id_121286803	369.335	XXXWBPFDALWTML-QZNQKGLUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-148941
C(C(=O)O)(F)(F)F.[C@@H]12N(C(=O)[C@H](Cc3ccccc3)N)C(C[C@@H]1C2)C#N	CHEMBL330523	369.338	CMXUKRJBUCXGEU-RMTDYDDFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148942
N=C/C=CC(=C/C(=O)C)CO[C@@H]1C[C@@H]2[C@]([C@]1(N)C(=O)O)([C@@]2(F)C(=O)O)N	SCHEMBL19508490	369.345	JDBJFFJCWKLHJQ-XMAZMWAQSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148943
FC(Oc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)OC(C)(C)C)C2)F	SCHEMBL16874242,PC-id_118207099	369.363	MVUKTRVYMWFVHF-MXWKQRLJSA-N	00100010000000101000010000000000000000000000000000000000	22-01-148944
O1C2C1C(OCC2OC(=O)NC(=O)c1ccccc1)OCc1ccccc1	PC-id_85366905	369.368	LMGFCKMFVVVENR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148945
O1[C@@H]2[C@H]1[C@H](OC[C@H]2OC(=O)NC(=O)c1ccccc1)OCc1ccccc1	PC-id_11014088	369.368	LMGFCKMFVVVENR-DFEOGRTESA-N	00100000000010110000010000000000000000000000000000000000	22-01-148946
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1)n1c(C)cc(C)n1	PC-id_135112348,MCULE-6578138092,EMOLS-id_317334711,ZINC22_1704330031	369.371	UGSLBAHBJHEMNI-KDURUIRLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-148947
CCCCNC(=N)NNC(=O)C(C[C@]1(NC(=O)[C@@H]2[C@@H](C1=O)O2)C(=O)O)C	SCHEMBL5526235	369.373	TYDXNTHIZUFHLX-CZJSAHEESA-N	00100000000010000000010000000000000000000000000000000000	22-01-148948
CCCCN=C(N)NNC(=O)C(C)CC1(C(=O)C2C(O2)C(=O)N1)C(=O)O	PC-id_87849405	369.373	TYDXNTHIZUFHLX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-148949
CCO[P+](N1C2C1CN(CC2)C(=O)OCc1ccccc1)(O)OCC	PC-id_89864594	369.373	HMAFIQOMPILUGN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148950
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COc1ccc([C@@H]2C[C@H]2CC(=O)N2C[C@]3(C(F)(F)F)C[C@]3(CO)C2)cc1	ZINC22_1875392248	369.378	KOZBADOXJZDNGX-OXXUSNJHSA-N	00100010000000110000110000000000000000000000000000000000	22-01-148952
BrCC1C(C(=C)CCC23OC2(CCC3C(C)C)C)CCC1C	PC-id_592633	369.379	QUBUAUSADQPODA-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-148953
CNC(=O)C1CC2CC2CN1C(=O)CC(Cc1cc(F)c(cc1F)F)N	PC-id_143059650	369.381	RFLLKMIXQTXVBW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148954
COc1cc(ccc1NC(=O)C12CCCC1(C2)C(=O)O)c1ccccc1F	PC-id_144304577	369.386	VRQLOPRDBLNCGV-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-148955
FC1(C2C1CC(OC(C)C=CC)C2(N=[N+]=[N-])C(=O)OCC)C(=O)OCC	PC-id_72752377	369.388	RYXYCMIFRSMRPN-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148956
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CNC(=O)c1nc(Cc2cccc(c2)F)cc(c1)C(=O)NC1C2C1COC2	PC-id_145379914	369.39	LEWRYCNQNIZLKX-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-148958
CNC(=O)c1nc(Cc2ccc(cc2)F)cc(c1)C(=O)NC1[C@@H]2[C@H]1COC2	PC-id_138571796	369.39	KYRNFFPWVUUZAO-BYICEURKSA-N	00100010000000111000010000000000000000000000000000000000	22-01-148959
CNC(=O)c1nc(Cc2ccc(cc2)F)cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2	SCHEMBL20929853	369.39	KYRNFFPWVUUZAO-VQFNDLOPSA-N	00100010000000111000010000000000000000000000000000000000	22-01-148960
S(C1C2(OC2C(OC1COC(=O)C)OC)[N+](=O)[O-])c1ccc(cc1)C	PC-id_85410150	369.39	ISHLDXKUOMBLHA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148961
S([C@@H]1[C@@]2(O[C@@H]2[C@H](O[C@@H]1COC(=O)C)OC)[N+](=O)[O-])c1ccc(cc1)C	PC-id_11132362	369.39	ISHLDXKUOMBLHA-RBGFHDKUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148962
CC(C)(C)OC(=O)N1CC2C(C1)N2S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_89851221,SCHEMBL15318711	369.393	GUNZZSBIVGDVBK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148963
OCC(C(=O)OCCOCCN1C(=O)C(C)C2C(C(C1=O)C)(O2)C=C)C	SCHEMBL19263652	369.409	SXWPSWBGPYTXTP-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-148964
N#Cc1ccc(cc1)OC(=O)C1CCC(CC1)OC(=O)C1CCC2C(C1)O2	SCHEMBL12730886,PC-id_58220279	369.411	VEICDDSCEMHAQY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-148965
O1C2C1C(N(C2COCc1ccccc1)C(=O)OCc1ccccc1)CO	PC-id_73153496	369.411	ADZXECONNZFLRU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148966
O1C2C1C(O)C(C2NC(=O)C(O)c1ccccc1)COCc1ccccc1	PC-id_85267071	369.411	PDVOYFSNQLHSRC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148967
O1[C@H]2[C@@H]1[C@H](N([C@@H]2COCc1ccccc1)C(=O)OCc1ccccc1)CO	PC-id_11958191	369.411	ADZXECONNZFLRU-YSTOQKLRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148968
O1[C@@H]2[C@H]1[C@H](O)[C@H]([C@@H]2NC(=O)[C@@H](O)c1ccccc1)COCc1ccccc1	PC-id_10785315	369.411	PDVOYFSNQLHSRC-YDRVBMSGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148969
O1C2(C(C2)C(O)C(OCc2ccccc2)C1OC)COCc1ccccc1	PC-id_73153537	370.439	OELWAAFLBYGWJR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-149230
CC(C)C[C@H](NC(=O)[C@]1(NC(=O)[C@H](C)N)CCC2C1[C@H]2C(=O)O)C(=O)O	CHEMBL365766	369.413	APRSBVSWPQFVFO-WUTGLXSDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148970
[C@H]12[C@](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C)(C(=O)O)CC[C@H]1[C@@H]2C(=O)O	CHEMBL1196419,PC-id_44398999	369.413	JUPJYDBOBVGUSI-XXYQYFEMSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148971
NCC(CCC(=O)NN([C@]1(CCC2[C@H]1[C@H]2C(=O)O)C(=O)O)C(=O)CC)C	PC-id_69973986,SCHEMBL7060511	369.413	XFFSRRMUJCYYJW-QNKFPRFHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148972
NCC(CCC(=O)NN([C@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)O)C(=O)CC)C	PC-id_69974419,SCHEMBL7061552	369.413	XFFSRRMUJCYYJW-IERHBWTKSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148973
OC(=O)C1C2C1CCC2(NC(=O)C(N)C)C(=O)NC(CC(C)C)C(=O)O	PC-id_75012184	369.413	APRSBVSWPQFVFO-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148974
OC(=O)C1C2C1CCC2(NC(=O)C(NC(=O)C(N)CC(C)C)C)C(=O)O	PC-id_72777397	369.413	HUGCZWODSIABAV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148975
OC(=O)C1C2C1CCC2(NC(=O)C(NC(=O)C(N)C)CC(C)C)C(=O)O	PC-id_75012187	369.413	JUPJYDBOBVGUSI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148976
OC(=O)C1C2C1CCC2(N(NC(=O)CCC(CN)C)C(=O)CC)C(=O)O	PC-id_77753088	369.413	XFFSRRMUJCYYJW-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148977
OC(=O)[C@@H]1C2C1CCC2(NC(=O)[C@@H](N)C)C(=O)N[C@@H](CC(C)C)C(=O)O	PC-id_44398973	369.413	APRSBVSWPQFVFO-NOXOYHOCSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148978
OC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]2(NC(=O)[C@@H](N)C)C(=O)N[C@@H](CC(C)C)C(=O)O	PC-id_11165648	369.413	APRSBVSWPQFVFO-XXYQYFEMSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148979
OC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]2(NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C)C(=O)O	PC-id_10109642	369.413	HUGCZWODSIABAV-XXYQYFEMSA-N	00100010000010000000010000000000000000000000000000000000	22-01-148980
[O-]Nc1ccccc1S(=O)(=O)N([C@H]1CCC2[C@@H]1O2)C(=O)OC(C)(C)C	PC-id_140615538	369.413	BUOVDYWFWIAZSU-HFUMIRBISA-N	00100010000000110000010000000000000000000000000000000000	22-01-148981
COCCCNC(=O)c1c[nH]c(c1N=C(c1cc(OC)c2c(c1)O2)C=C)C	PC-id_143853695	369.414	VGTMSTFRWJHFEW-UHFFFAOYSA-N	00100000110000100000010000000000000000000000000000000000	22-01-148982
O1C2C1CCC(OC(=O)NCCCCNC(=O)NC1NCCC(=O)N1)C2	PC-id_72476087	369.416	VFQWOHJLOBJAFT-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-148983
O=C[C@@H]1C2C1N(C)C(=O)[C@H](CC2)NC(=O)C(=N)/N=CNCc1ccccc1	SCHEMBL19659076	369.418	NCSZUCOTHOSOKG-FYRZTWFESA-N	00100000000000110100010000000000000000000000000000000000	22-01-148984
O1[13C]2(C1[13CH](O)C(=O)OC2/[13CH]=C/[13CH]=C/[13CH](C/[13C](=C/[13CH]=C/[13CH](C[13CH3])C)/C)C)C	PC-id_10832869	369.421	NMEGHQQRWKBPQO-YHDKVYIHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-148985
O1C2([13CH]1C(O)[13C](=O)O[13CH]2/C=[13CH]/C=[13CH]/C([13CH2]/C(=[13CH]/C=[13CH]/C([13CH2]C)C)/C)C)C	PC-id_10571105	369.421	NMEGHQQRWKBPQO-MGSHJIDHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-148986
C1(CO)(CO)C2C1CN(C(=O)C(C)c1ccc(c(F)c1)c1ccccc1)C2	MCULE-6803348182,EMOLS-id_317903782	369.429	WWTBCPFRRFDHIZ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-148987
C[C@H](C(=O)N1C[C@@H]2[C@@H](C1)C2(CO)CO)c1ccc(c2ccccc2)c(F)c1	ZINC22_1772808637	369.429	WWTBCPFRRFDHIZ-GDIGMMSISA-N	00100010000000110000110000000000000000000000000000000000	22-01-148988
C[C@H](C(=O)N1C[C@H]2[C@H](C1)C2(CO)CO)c1ccc(c2ccccc2)c(F)c1	ZINC22_1772808638	369.429	WWTBCPFRRFDHIZ-JVPBZIDWSA-N	00100010000000110000110000000000000000000000000000000000	22-01-148989
C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)C2(CO)CO)c1ccc(c2ccccc2)c(F)c1	ZINC22_1772808639	369.429	WWTBCPFRRFDHIZ-ZMYBRWDISA-N	00100010000000110000110000000000000000000000000000000000	22-01-148990
C[C@H](C(=O)N1C[C@H]2[C@@H](C1)C2(CO)CO)c1ccc(c2ccccc2)c(F)c1	ZINC22_1772808640	369.429	WWTBCPFRRFDHIZ-ZOCIIQOWSA-N	00100010000000110000110000000000000000000000000000000000	22-01-148991
[C@H]12CN(C[C@H]1[C@@H]2CN(C)C)C(=O)Nc1ccccc1Oc1ccc(cc1)F	EMOLS-id_68891186,MCULE-9796643831,ZINC22_299761241	369.433	XWTPAMJRJOXBET-NNZMDNLPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-148992
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[Si](OC[C@H]1N(C(=O)[C@H]2[C@@H]1[C@H]2CC)C(=O)OC(C)(C)C)(C(C)(C)C)(C)C	PC-id_11793485	369.571	CZRVYSGMWBPPDB-KBUPBQIOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-149075
C[C@@H]1N[C@@H](C(=O)NC(C)(C)C)[C@@H]2N(C1=O)[C@@H]2CO[Si](C(C)(C)C)(C)C	SCHEMBL449629	369.574	GQCODOXDZPBFCH-ZQGDXRPTSA-N	00100000000010000001010000000000000000000000000000000000	22-01-149076
C[C@@H]1N[C@@H](C(=O)NC(C)(C)C)[C@H]2N(C1=O)[C@@H]2CO[Si](C(C)(C)C)(C)C	SCHEMBL449630,PC-id_46927399	369.574	GQCODOXDZPBFCH-PBNVVNJOSA-N	00100000000010000001010000000000000000000000000000000000	22-01-149077
[Si](OCC1N2C1C(NC(C2=O)C)C(=O)NC(C)(C)C)(C(C)(C)C)(C)C	PC-id_75240228	369.574	GQCODOXDZPBFCH-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-149078
Cc1ccccc1[Si](CCC1CCC2C(C1)O2)CCC1CCC2C(C1)O2	PC-id_87737645	369.592	JCNYECGWQCTNSD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-149079
Cn1cc(c(n1)c1ccccc1Cl)C(=O)N1CCC2C1C2C(F)(F)F	EMOLS-id_316914716,MCULE-1504540799	369.769	DDHUVSSGMVDPSB-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-149080
Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2[C@@H]3C(F)(F)F)c(c2ccccc2Cl)n1	ZINC22_371071683	369.769	DDHUVSSGMVDPSB-PSOPSSQASA-N	00100010100000110001110000000000000000000000000000000000	22-01-149081
Cn1cc(C(=O)N2CC[C@@H]3[C@H]2[C@H]3C(F)(F)F)c(c2ccccc2Cl)n1	ZINC22_371071685	369.769	DDHUVSSGMVDPSB-XEGUGMAKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-149082
Cn1cc(C(=O)N2CC[C@@H]3[C@H]2[C@@H]3C(F)(F)F)c(c2ccccc2Cl)n1	ZINC22_371071686	369.769	DDHUVSSGMVDPSB-ZBINZKHDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-149083
Cn1cc(C(=O)N2CC[C@H]3[C@H](C(F)(F)F)[C@H]23)c(c2ccccc2Cl)n1	ZINC22_371071684	369.769	DDHUVSSGMVDPSB-VZJVUDMVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-149084
Clc1c(F)c([C@H](NC(=O)[C@H]2N([C@H]3[C@H](C3)C2)C(=O)O)CN(C)C)ccc1	SCHEMBL12481762,PC-id_68284844	369.818	OQVLPWMILGNWQT-JXJLXUTGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149085
Clc1c(F)c(C(NC(=O)C2N(C3C(C3)C2)C(=O)O)CN(C)C)ccc1	PC-id_77463031	369.818	OQVLPWMILGNWQT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149086
C[Sn](C)(C)C1([C@@H]2[C@@H]1CC([C@@H](C2)O)O)Br	PC-id_135037810	369.862	XZQAGOFDEBKWCS-LPMGJVPMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149087
CC/C(=C(C12CC(O)CCN2O1)/Cc1ccccc1)/c1ccc(cc1)Cl	PC-id_137436764,SCHEMBL20673548	369.884	YULOSMUEBOOBMG-QZQOTICOSA-N	00100000000010110001010000000000000000000000000000000000	22-01-149088
CCC1CCC2(N1C2)C(c1ccccc1)NC(=O)c1c(N)cccc1Cl	PC-id_144032879	369.888	FXUWMRABRKJFLH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149089
[C@H]12CN(C[C@H]1[C@@H]2CN(C)C)C(=O)Nc1ccc(cc1)c1cccc(Cl)c1	ZINC22_299796627,MCULE-5708103628,EMOLS-id_68938272	369.888	PSKKXEMGRMGTAM-OWZKRDHZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-149090
CN(CC1[C@@H]2[C@H]1CN(C2)C(=O)Nc1ccc(cc1)c1cccc(c1)Cl)C	PC-id_118794173	369.888	PSKKXEMGRMGTAM-IHWFROFDSA-N	00100010000000110000110000000000000000000000000000000000	22-01-149091
Clc1cc(SNc2nccs2)c(cc1NC1CCC2C(C1)C2)F	PC-id_142330116	369.908	OJVXRDPMGZZOEJ-UHFFFAOYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-149092
COC(=O)C1=C(C(C2C(C1Br)O2)Br)C(=O)OC	PC-id_134892302	369.991	WARWHVPDDYXNMN-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-149093
COC(=O)C12CC(Br)C(CC2(C1)C(=O)OC)Br	TIMTEC22582	370.034	ODJQHIMOUPITSY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149094
CC1CC2C(O2)C(CC(=O)CC(=O)O1)OC(=O)C3=C(C=C(C=C3)F)Cl	PC-id_153711917	370.062	RCZBMACCOXDKDM-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-149095
C(C1[C@H](C(C([C@@H](O1)O)O)O)O[C@H]1C(C2C([C@]2(C(O1)CS)O)O)O)O	PC-id_164165363	370.093	ZQPIKSCARZKTTR-OKSKVQEESA-N	00100000000010000000010000000000000000000000000000000000	22-01-149096
CCC(C1[C@H]2[C@@H]1CC(C2)NS(=O)(=O)C)NC(=O)C3=CC=C(C=C3)Cl	PC-id_148618909	370.112	NFWFMNCTEDWASR-KDJGIRDZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-149097
C1CC2(C(C1S(=O)(=O)C3CCC4(C3O4)CCC5CO5)O2)CCC6CO6	PC-id_154271396	370.145	RSFAKCXMWBYPQI-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-149098
CC1=C(N=CC=C1)OC2C[C@@H]3[C@@H](C2)C3[C@@H](C)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517136	370.145	LCUMPSWIDQENQR-RQSCHFIXSA-N	00100010000010111000010000000000000000000000000000000000	22-01-149099
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=C(N=CC=C3)Cl)C4=CC=CC=C4C(=O)N	PC-id_153288871	370.145	XMDLKDYRDOPRKN-GONWHIGFSA-N	00100010000010111000010000000000000000000000000000000000	22-01-149100
CCCC1=CC=C(S1)C(=O)N2C[C@@H]3[C@H](C2)C3NC(=O)CC4=CN=CN=C4	PC-id_154773153	370.146	JWYGRALUGJBQOE-MVVMVCHASA-N	00100010100100100001010000000000000000000000000000000000	22-01-149101
CC(C)(C)OC(=O)N1C[C@H]2C=C2CC1COC3=NC=CC(=C3)C(F)(F)F	PC-id_149464173	370.15	ZACHANNPGGNPCS-PUODRLBUSA-N	00110000000010101000010000000000000000000000000000000000	22-01-149102
CNC(=O)C1=CC(=C(O1)C(C2=CC=CC=C2)OC)C(=O)NC3[C@@H]4C3COC4	PC-id_153537934	370.153	LMQOARMPGLCWMH-BGBDLWASSA-N	00100010101000110000010000000000000000000000000000000000	22-01-149103
Cc1c(c(c([nH]1)C(=O)NC1C2C1CN(C2)C(=O)C(F)(F)F)Cl)Cl	PC-id_87424023	370.154	HDAPMJAFWDJENJ-UHFFFAOYSA-N	00100010110000000000010000000000000000000000000000000000	22-01-149104
O=C(C(F)(F)F)N1C[C@@H]2[C@H](C1)C2NC(=O)c1[nH]c(c(c1Cl)Cl)C	SCHEMBL2694646	370.154	HDAPMJAFWDJENJ-SFJPZXRQSA-N	00100010110000000000010000000000000000000000000000000000	22-01-149105
O=C(C(F)(F)F)N1C[C@@H]2[C@H](C1)[C@H]2NC(=O)c1[nH]c(c(c1Cl)Cl)C	SCHEMBL2694641	370.154	HDAPMJAFWDJENJ-KPCSLPGQSA-N	00100010110000000000010000000000000000000000000000000000	22-01-149106
O=C(C(F)(F)F)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1[nH]c(c(c1Cl)Cl)C	SCHEMBL2694643	370.154	HDAPMJAFWDJENJ-GJVVYLMISA-N	00100010110000000000010000000000000000000000000000000000	22-01-149107
CC1C2CC2(C(=C1/C=C(/C3=C(C=CC=C3F)F)N)N)OCC4=NC=CN=C4	PC-id_155049239	370.161	DIFHRRKAZVWWJF-IDUWFGFVSA-N	00100011000000110001010000000000000000000000000000000000	22-01-149108
CC(=O)OCC1C2(C[C@@H]2C([C@@H](O1)OCCCC=C)OC(=O)C)OC(=O)C	PC-id_163941254	370.163	RRDUUUQKCOEKBJ-DYCMBHQBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149109
CCOC(=O)[C@H]1[C@@H]2C1CC[C@H]2OC3=C(N=C(C=C3)C4=C(N(N=N4)C)C=O)C	PC-id_165043696	370.164	ONUUQAVRLQJQCT-OMILXILMSA-N	00100010100010101001110000000000000000000000000000000000	22-01-149110
CNC(=O)C1=NN(C(=C1)C(=O)NC2[C@H]3[C@@H]2COC3)[C@@H](CO)C4=CC=CC=C4	PC-id_153297961	370.164	GBCBZKVVWBFHKV-XLKCZGELSA-N	00100010100000110001010000000000000000000000000000000000	22-01-149111
CN(C)C1C[C@H](C[C@H]2[C@@H]1O2)OC(=O)NC3=C(C=C(C=C3)F)C4=CC=CC=C4	PC-id_155157197	370.169	BOEMDLSVOCYQCT-UWFFTQNDSA-N	00100000000010110000110000000000000000000000000000000000	22-01-149112
C/C=C/C1C=C=C/C(=C(/C=CC1S)C(=C
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COc1ccc(cc1)COC[C@@H]1[C@H](C[C@@H]2[C@H]1O2)OCc1ccc(cc1)OC	PC-id_163874677	370.178	PNVSBVRZIIJGJZ-MBDNFAEBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149114
CC12CCC(CC1O2)C(=O)ONNNNOC(=O)C1CCC2(C(C1)O2)C	PC-id_163968077	370.185	SNOUJMMLMLCTRS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149115
CC(C)(C)OC(=O)NCC12CC1(CN(C2)CC3=CC=CC=C3)C(F)(F)F	EMOLS-id_337939386,PC-id_165124413	370.187	XYQKRJUHGFKVBR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149116
CC(C)(C)OC(=O)NC[C@]12C[C@]1(CN(C2)CC3=CC=CC=C3)C(F)(F)F	PC-id_165124388	370.187	XYQKRJUHGFKVBR-ZWKOTPCHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149117
CC1C(C(=O)N(C2C1O2)Cc1cc(ccc1)CN1C(=O)C(C(C1=O)C)C)C	PC-id_164116015	370.189	YBDVOYYRPUJXRJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-149118
CC(=C)C(=O)Oc1ccc(cc1)OCCCCOC1=CC=C(C2C1(C2)N)N	PC-id_163712425	370.189	KKKQNQBHXXBHLD-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-149119
CN(C)CCOc1ccc(cc1)CNC(=O)C1=CC2=C([C@@H]2C(=C1)OC)OC	PC-id_163750307	370.189	LPKSVJQCIHFBQZ-IBGZPJMESA-N	00110000000011110000010000000000000000000000000000000000	22-01-149120
C[C@H]1CC([C@H](O1)CCP(=O)(O)OCCC2[C@H]3[C@@H]2CCC#CCC3)OC	PC-id_161674114	370.191	UEZQZZNBOPPNCV-ZCRYSKNHSA-N	00100010000000000110010000000000000000000000000000000000	22-01-149121
C1COCCN1C2=C(C=C(C=C2)[N-]CC3C4C3CN(C4)CC5=COC=C5)F	PC-id_162219908	370.194	ZTZBVFBRDZKFBV-UHFFFAOYSA-N	00100010101010110001110000000000000000000000000000000000	22-01-149122
BrC1CCC2OC2CCC1OC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_75587092	370.195	XJINLPFXHOBBJP-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-149123
Br[C@H]1CC[C@H]2O[C@H]2CC[C@@H]1OC(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_50941983,4025939_OpenMolecule	370.195	XJINLPFXHOBBJP-FQUUOJAGSA-N	00100000000000110100010000000000000000000000000000000000	22-01-149124
Br[C@@H]1CC[C@H]2O[C@H]2CC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_50942070	370.195	XJINLPFXHOBBJP-SYQHCUMBSA-N	00100000000000110100010000000000000000000000000000000000	22-01-149125
OC(=O)C(Oc1ccc(cc1)Br)CNC(=O)C1[C@@H]2[C@H]1COC2	PC-id_145879831	370.195	DUOLAQQEZUWRMR-MPEURRAXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149126
OC(=O)C(Oc1ccc(cc1)Br)CNC(=O)[C@@H]1[C@@H]2[C@H]1COC2	EMOLS-id_316886743	370.195	DUOLAQQEZUWRMR-GEFSXZAWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149127
CC([Si](OC1CC2C(C1)C2(Br)Br)(C)C)(C)C	PC-id_101540105	370.196	RJKMYVUYTUWQAR-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-149128
COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC22_665892884	370.417	JQDIXUIEHVZGFE-CVEARBPZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-149209
CC(C)N(C[C@@H]1[C@@H]2[C@H]1[C@H](CC2)O)/N=C(C)/C3=CC(=C(N=C3)N)C(F)(F)F	PC-id_154971420	370.198	RPVSJJWXJUJLGK-WMIYXHRISA-N	00100010000010101000010000000000000000000000000000000000	22-01-149129
Cc1ccc(nc1NC(=O)C1CC2(C(N1C(=O)O)C2)CO)Br	SCHEMBL18555827	370.199	NHUKMHFSKFLASD-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-149130
CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OCC1CCC2C(C1)O2	PC-id_153307249	370.199	LMMVPWOERLQZLU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149131
COc1cc(NC(=O)C2CC3(C(N2C(=O)O)C3)C)nc(c1)Br	SCHEMBL18554822	370.199	FFVRWDWYSAJQNS-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-149132
COCC12C[C@H](N(C1C2)C(=O)O)C(=O)Nc1nc(ccc1)Br	PC-id_135318796,SCHEMBL20488659	370.199	QMBKDBIIERMALI-JUXJKVCFSA-N	00100010000000101000010000000000000000000000000000000000	22-01-149133
COCC12CC(N(C2C1)C(=O)O)C(=O)Nc1cccc(n1)Br	SCHEMBL18555260	370.199	QMBKDBIIERMALI-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-149134
CC1([C@@H]2C1[C@H](N(C2)C(=O)[C@H](CCCO)NC(=O)OC(C)(C)C)C(=O)O)C	PC-id_163872173	370.21	PLTQSIBZVCDKQO-XYIZDEMUSA-N	00100010000000000000010000000000000000000000000000000000	22-01-149135
CC(C)(C)OC(=O)N1C[C@@H]2C(C1)C2CCN=C(NC#N)NC3=CC=NC=C3	PC-id_153560179	370.212	NVSUUPWKJATUAI-PCKAHOCUSA-N	00100010000000101000010000000000000000000000000000000000	22-01-149136
CC(C)C(=O)N1CCC(C1CC2=CC(=CC=C2)C#CC3(CC4=C(C3)[CH]4)C)C#C	PC-id_165393562	370.217	GCCIUIFTFCEGCK-UHFFFAOYSA-N	00110011000000110000010000000000000000000000000000000000	22-01-149137
C1CC2C(O2)CC1CCCCS(=O)(=O)CCCCC3CCC4C(C3)O4	PC-id_154120078	370.218	NASRLCSFQXPGIU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149138
CC(CC[Si](OC)(OC)OCC1CCC2C(C1)O2)C3CCC4C(C3)O4	PC-id_153972249	370.218	HQWRRTFUSHEJOP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149139
CCO[Si](C)(OCC)OC(C)(C1CCC2C(C1)O2)C34CCCCC3O4	PC-id_151971484	370.218	UATHXEKPMHUVQG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149140
CCO[Si](C)(OCC)OC(C)(C1CCC2C(C1)O2)C3CCC4C(C3)O4	PC-id_153985139	370.218	BZGIKVAAVVJPPE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149141
CC[Si](OC)(OC)OC(CCC1CCC2C(C1)O2)C3CCC4C(C3)O4	PC-id_150063558	370.218	DNUFXYRGMKRMMN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149142
CO[Si](CCC1CCC2C(C1)O2)(OC)OCCCC3CCC4C(C3)O4	PC-id_153966938	370.218	UPBGFBLUFRRXGV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149143
N#CC(=C(C1CCCC[C@H](C(C2C1C2)C)I)O)C#N	SCHEMBL20842974,PC-id_138493913	370.229	MJMZLYUWNQXQOW-RHMXIEFLSA-N	00100000000000000100010000000000000000000000000000000000	22-01-149144
C/C=C
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C1CC2C(O2)CC1CC[SiH](CCC3CCC4C(C3)O4)CC5=CC=CC=C5	PC-id_153694085	370.233	MZSDCOCSXAJSEU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-149146
C[Si](CCC12CCCCC1O2)(CCC34CCCCC3O4)C5=CC=CC=C5	PC-id_153708028	370.233	NVSQIIOYPIOTOV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-149147
C[C@@H]1C2C[C@]2(CC1(OO)OOC3(C[C@@]4(CC4[C@@H]3C)C(C)C)OO)C(C)C	PC-id_154713511	370.236	WWXNHDJNCCNQFU-XYWDFQRXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-149148
CC1=CC(=NN1CC(=O)N2C[C@@H]3[C@H](C2)C3NC(=O)CC(C4CC4)C5CC5)C	PC-id_154773154	370.237	HFORPGJQEHSUGS-HTZLVSCSSA-N	00100010100000000001010000000000000000000000000000000000	22-01-149149
CC(C)[C@@H](C(N1C[C@H]2[C@@H]([C@H]1C(=O)OC)C2(C)C)O)NC(=O)OC(C)(C)C	PC-id_164785137	370.247	DBSIKWQXBMVGFI-GBUDGIQGSA-N	00100010000000000000010000000000000000000000000000000000	22-01-149150
O1C(C2C(C(O)C1OCCCCCC(=O)NCCOCCCC)[B]2)CO	PC-id_71196324	370.269	OEIUGLUWWDURCZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149151
CC(C)(C)C1C2(CC2C=CN1C(=O)Oc1cc(c(cc1)Cl)Cl)CO	PC-id_90805383	370.27	UKOMLTNPYMLLAN-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-149152
O/C(=N/[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)/N[C@@H]1[C@H]2COC[C@@H]12	ZINC22_329985367	370.274	DEYCFGLSTZRBRL-BCUIYNNISA-N	00100010000010110000110000000000000000000000000000000000	22-01-149153
O/C(=N/[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)/N[C@@H]1[C@H]2COC[C@@H]12	ZINC22_329985368	370.274	DEYCFGLSTZRBRL-FOCJUVANSA-N	00100010000010110000110000000000000000000000000000000000	22-01-149154
O=C(N[C@@H]1[C@@H]2[C@H]1COC2)NC1CCCN(C1)c1ccc(cc1Cl)Cl	EMOLS-id_100154849,MCULE-9680534070	370.274	DEYCFGLSTZRBRL-UICOTHGISA-N	00100010000010110000110000000000000000000000000000000000	22-01-149155
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Brc1sc(Br)cc1C(Cl)C1CC2C(C2)C1	PC-id_80470481,EMOLS-id_107768599	370.531	GYUUFHVSGQGKLW-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-149407
Brc1sc(cc1Br)C(C12CCCC1C2)Cl	MCULE-4885762883	370.531	HBIFHWVJGOJRLO-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-149408
Brc1sc(c(c1)C(C12CCCC1C2)Cl)Br	MCULE-9492633104	370.531	AIHQKBKUMKOGRE-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-149409
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BrC(C12CCCC1C2)c1cc(c(s1)Cl)Br	MCULE-6485962920	370.531	NEPZLLXRKXQGAV-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-149411
BrC(C1C2C1CCC2)c1cc(c(s1)Cl)Br	PC-id_102836860	370.531	XFHSNPIZBUJZEP-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-149412
BrC(C1C2C1CCC2)c1sc(Br)c(Cl)c1	PC-id_81638589	370.531	WATXBLHWHCBEGD-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-149413
BrC(C1CC2C(C2)C1)c1sc(Br)c(Cl)c1	EMOLS-id_107796996,PC-id_80533491	370.531	ZWRZIFSSZPPGLF-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-149414
BrC(c1cc(c(s1)Cl)Br)C1CC2C(C1)C2	PC-id_102837019	370.531	SNYHZJSHWPEUHT-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-149415
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CC12CCC(CC2O1)COCCSCCOCC1CCC2(C(C1)O2)C	SCHEMBL14409310,PC-id_58908043	370.547	YPYBSQDUHBVFHO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149418
CC(OCC1CCC2(C(C1)O2)C)SC(C)OCC1CCC2(C(C1)O2)C	PC-id_89208191,SCHEMBL13954812	370.547	PFWJUOIBCOTROP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149419
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[Si](OC1CC2(OC2(C(C1)(C)C)CCCOC(=O)C)C)(C(C)(C)C)(C)C	PC-id_73103891	370.599	DPLHHBRIGBIGFC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149434
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c1ccc(cc1)[SiH2]C(CCC1CCC2C(C1)O2)CCC1CCC2C(C1)O2	SCHEMBL1904456	370.6	YUVCYQKRFRJEPX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-149438
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Cc1ccccc1[SiH](CCC1CCC2C(C1)O2)CCC1CCC2C(C1)O2	SCHEMBL4852060	370.6	LJEQDFYVZJBJDB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-149440
C[Si](c1ccccc1)(CCC1CCC2C(C1)O2)CCC1CCC2C(C1)O2	SCHEMBL1904459,PC-id_23496350	370.6	WJLXMNAAJLNWAB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-149441
C[Si](c1ccccc1)(CCC1CCCC2C1O2)CCC1CCCC2C1O2	PC-id_139992930	370.6	CNHSGLXVXOZKHL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-149442
O(C1=CC2(C(C2CCC(=C)C)CC1CC=CCCC(=C)C)CCCC)CC	PC-id_85128087	370.611	KIUBSCGXGKPXLX-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-149443
O(C1=C[C@]2([C@H]([C@@H]2CCC(=C)C)C[C@H]1C/C=C/CCC(=C)C)CCCC)CC	PC-id_10384558	370.611	KIUBSCGXGKPXLX-VYPFLKSNSA-N	00100000000011000000010000000000000000000000000000000000	22-01-149444
CCCCCCO[Si](CCC1CCC2C(C1)O2)(OCCCCCC)C	PC-id_101326840	370.642	ZEQACNGSYOOMKF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-149445
CC1(C)CCCC(C1)C(C1CCCC2C(C1)(C)C2)(C1CCC2C(C1)(C)C2)C	PC-id_143264152	370.654	WQCGBTLUMJWVPC-UHFFFAOYSA-N	00100000000010000100010000000000000000000000000000000000	22-01-149446
[Si](OC12C(O[Si](C)(C)C)(C1)CCCCCCCCCCC2)(C)(C)C	PC-id_13201982	370.717	KPEJVWJKVZGNGE-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-149447
Brc1ccc(c(c1)Cl)CC1(CNC(C)(C)C)CC2C(C1)C2	PC-id_116078426	370.755	MPCFZAFYTYFECS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-149448
CCCNC(C1C2C1CCCC2)Cc1ccc(cc1Cl)Br	PC-id_105037746	370.755	GSIXEKQBFQFJDU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-149449
CC(CNCC1(CC2C(C1)C2)Cc1ccc(cc1Cl)Br)C	PC-id_116078427	370.755	CSAHHXKFZGRIRS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-149450
COC12OC1C(=O)CC(C2C(=O)c1c(OC)cc(c(c1O)Cl)OC)C	PC-id_144564068	370.782	OGDJUKXFPRYZIZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-149451
CC(C)(C)OC(=O)N1CC2C(C1C(=O)NCc1c(c(ccc1)Cl)F)O2	PC-id_88922039	370.803	FZVFJGUQQVQGGB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149452
CC(C)(C)OC(=O)N1CC2C(C1C(=O)N(Cc1cc(ccc1)Cl)F)O2	PC-id_89184117	370.803	YMUOQNBEVGWMQO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149453
O1C2C1CN(C2CCCCCCCCCCCCCC)Cc1ccccc1	PC-id_75576773	371.599	SIJZRJBQLRBOHL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149616
Clc1cccc(c1)CN(C(=O)[C@@H]1[C@H]2O[C@H]2CN1C(=O)OC(C)(C)C)F	SCHEMBL13837286	370.803	YMUOQNBEVGWMQO-IHRRRGAJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149454
O=C([C@@H]1C2OC2CN1C(=O)OC(C)(C)C)NCc1cccc(c1F)Cl	SCHEMBL13977203	370.803	FZVFJGUQQVQGGB-QRMWWUJWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149455
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C1(CO)(CO)C2C1CN(Cc1cc(OC)c(c(Cl)c1)OCC(=O)N)C2	EMOLS-id_317890224,MCULE-4276921418	370.828	HYAAXTNVEZXQDT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149457
COc1cc(CN2C[C@H]3[C@H](C2)C3(CO)CO)cc(Cl)c1OCC(=O)N	ZINC22_1772812080	370.828	HYAAXTNVEZXQDT-RYUDHWBXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-149458
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C12(CCCCC1C2C(=O)NN=Cc1ccc(c2cc(Cl)ccc2C)o1)C	PC-id_73748996,MCULE-4965888540	370.873	ZUYXGPDRKZIGCF-UHFFFAOYSA-N	00100000101010110000110000000000000000000000000000000000	22-01-149461
Cc1ccc(Cl)cc1c1ccc(/C=N/NC(=O)C2C3CCCCC23C)o1	EMOLS-id_49856018,PC-id_21229663	370.873	ZUYXGPDRKZIGCF-FSJBWODESA-N	00100000101010110000110000000000000000000000000000000000	22-01-149462
Clc1cc(c2oc(C=NNC(=O)[C@H]3[C@@]4([C@H]3CCCC4)C)cc2)c(cc1)C	PC-id_27520214	370.873	ZUYXGPDRKZIGCF-CUWPLCDZSA-N	00100000101010110000110000000000000000000000000000000000	22-01-149463
Clc1cc(c2oc(C=NNC(=O)[C@@H]3[C@@]4([C@H]3CCCC4)C)cc2)c(cc1)C	PC-id_27520215	370.873	ZUYXGPDRKZIGCF-DSKINZAPSA-N	00100000101010110000110000000000000000000000000000000000	22-01-149464
Clc1ccc(c(c1)c1ccc(o1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2)C	PC-id_100599859	370.873	ZUYXGPDRKZIGCF-KAVLIPBNSA-N	00100000101010110000110000000000000000000000000000000000	22-01-149465
Clc1ccc(c(c1)c1ccc(o1)/C=NNC(=O)[C@@H]1[C@H]2[C@@]1(C)CCCC2)C	PC-id_100599880	370.873	ZUYXGPDRKZIGCF-DWHVFHMYSA-N	00100000101010110000110000000000000000000000000000000000	22-01-149466
Clc1ccc(c(c1)c1ccc(o1)/C=NNC(=O)[C@@H]1[C@@H]2[C@]1(C)CCCC2)C	PC-id_98104226	370.873	ZUYXGPDRKZIGCF-RAKLWJGRSA-N	00100000101010110000110000000000000000000000000000000000	22-01-149467
Clc1ccc(c(c1)c1ccc(o1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2)C	PC-id_98104229	370.873	ZUYXGPDRKZIGCF-WOSIYCSTSA-N	00100000101010110000110000000000000000000000000000000000	22-01-149468
NC1NC(NC2CC3[C@H](C2)C3O)C(C(N1)Cl)C#CC1SCCC1C	PC-id_143946848	370.94	MHUHBXSZVQYDAJ-XIIYSDHZSA-N	00100010000010000001010000000000000000000000000000000000	22-01-149469
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CC(C)C1=C(N=C(C=C1)Br)N(C(=O)[C@@H]2C[C@]3(C[C@H]3N2)C)Cl	PC-id_153519892	371.04	DVMWRWXPZILYOO-RWSFTLGLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-149471
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[C@H]1(C(=O)N2CCC3(CC2)N(CCc2[nH]cnc32)C(=O)COC)[C@H]2[C@@H]1CNC2	EMOLS-id_46098787,MCULE-7323046028,ZINC22_102862283	373.449	MYMANAUDCIRMPE-VIKVFOODSA-N	00100010100010000001010000000000000000000000000000000000	22-01-150076
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C1C2C(C2Cc2nc(c(c(n2)N)c2ccc(cc2)Oc2ccccc2)N)CN1	PC-id_90198985	373.451	XDJQQNFHTCSVQJ-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-150078
C1C2C(C2CNc2ncnc(c2c2ccc(cc2)Oc2ccccc2)N)CN1	PC-id_90199728	373.451	RWOHNHQHJZYBPV-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-150079
Cn1ncc(c1)c1ncccc1C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_318979773	373.451	YQYUDFWBUXDPKF-KXTWHKPSSA-N	00100010100000111001110000000000000000000000000000000000	22-01-150080
Cn1nc(c(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)c1cccnc1	EMOLS-id_319942908,MCULE-4106062769	373.451	ZMXGZVFBUCTKIO-WGMWDUQUSA-N	00100010100000111001110000000000000000000000000000000000	22-01-150081
Nc1ncnc(c1c1ccc(cc1)Oc1ccccc1)NCC1C2[C@@H]1CNC2	SCHEMBL15770815	373.451	RWOHNHQHJZYBPV-VIQWUECVSA-N	00100010000000110001110000000000000000000000000000000000	22-01-150082
Nc1ncnc(c1c1ccc(cc1)Oc1ccccc1)NC[C@@H]1[C@@H]2C1CNC2	SCHEMBL18869126	373.451	RWOHNHQHJZYBPV-LJJQOFDWSA-N	00100010000000110001110000000000000000000000000000000000	22-01-150083
Nc1ncnc(c1c1ccc(cc1)Oc1ccccc1)NC[C@@H]1[C@@H]2[C@H]1CNC2	SCHEMBL14241328	373.451	RWOHNHQHJZYBPV-BWTSREIZSA-N	00100010000000110001110000000000000000000000000000000000	22-01-150084
O(c1ccc(c2c(NCC3[C@@H]4[C@H]3CNC4)ncnc2N)cc1)c1ccccc1	PC-id_71092992	373.451	RWOHNHQHJZYBPV-DFNIBXOVSA-N	00100010000000110001110000000000000000000000000000000000	22-01-150085
O=C(C12CC2(C1)N=[N+]=[N-])N1CCN(CC1)C(c1ccccc1)c1ccccc1	SCHEMBL13986434,PC-id_71045728	373.451	XULJNYXOGWJLEB-UHFFFAOYSA-N	00101000000010110001010000000000000000000000000000000000	22-01-150086
O=C(c1cccc(c1)Cn1cncn1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319481021	373.451	WGZBPENQYMWOJK-AERCQKQUSA-N	00100010100000110001010000000000000000000000000000000000	22-01-150087
O=C(c1ccccc1Cn1cncn1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_320276305,MCULE-2440333771	373.451	GJRGDQLXIPBDMV-AERCQKQUSA-N	00100010100000110001010000000000000000000000000000000000	22-01-150088
O=C(c1ccc(cc1)Cn1nncc1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_320008299,MCULE-6024173408	373.451	CODBZEPTORFDCV-AERCQKQUSA-N	00100010100000110001010000000000000000000000000000000000	22-01-150089
O=C(c1ccccc1Cn1nncc1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-9662477120,EMOLS-id_320283211	373.451	FJYHQHRHBWJRLP-AERCQKQUSA-N	00100010100000110001010000000000000000000000000000000000	22-01-150090
O=C(c1nnn(c1)Cc1ccccc1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319277832	373.451	WWINTSQZVHHRAO-KXTWHKPSSA-N	00100010100000110001010000000000000000000000000000000000	22-01-150091
O=C(NCc1cccnc1)C1C2C1CN(C2)Cc1ccc(n2ccnc2)cc1	PC-id_76437772	373.451	CMAHALVGSTTYHI-UHFFFAOYSA-N	00100010100000111001110000000000000000000000000000000000	22-01-150092
O=C(NCc1cccnc1)C1[C@H]2[C@@H]1CN(C2)Cc1ccc(n2ccnc2)cc1	PC-id_56906760	373.451	CMAHALVGSTTYHI-WCRBZPEASA-N	00100010100000111001110000000000000000000000000000000000	22-01-150093
O=C(NCc1cccnc1)[C@@H]1[C@H]2CN(Cc3ccc(cc3)n3ccnc3)C[C@@H]12	MCULE-1447539985,ZINC22_102682460,EMOLS-id_43149918	373.451	CMAHALVGSTTYHI-AERCQKQUSA-N	00100010100000111001110000000000000000000000000000000000	22-01-150094
Fc1cccc(c1)CC(=O)N1CCCN(CC1)C(=O)NC1CCCC2C1C2	EMOLS-id_318139393	373.464	CHIQGUFJTZEAJI-UHFFFAOYSA-N	00100000000010110101010000000000000000000000000000000000	22-01-150095
Fc1ccc(cc1)C(N1CCCC(C1=O)NC(=O)N1CC2C(C1)C2(C)C)C	EMOLS-id_101584080	373.464	BDTJTVVFVCXDCT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150096
CN=C(/C(=C
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CO[C@H]1O[C@H]2[C@@]([C@@H]1NCc1ccccc1)(C2)S(=O)(=O)c1ccc(cc1)C	CT-id_4022988,PC-id_23727253,4022988_OpenMolecule	373.466	NVFDOQKMRGYRSF-YSTOQKLRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150098
O=C1N(C(C1(C)C)CCC12C=CC=CC1O2)S(=O)(=O)Cc1ccccc1	PC-id_141558922	373.466	ROPWSKFOFAFXDW-UHFFFAOYSA-N	00101000000011110000010000000000000000000000000000000000	22-01-150099
s1cc(nc1C)C=C(C1OC2OC2C(OCc2ccc(OC)cc2)C1)C	PC-id_85225301	373.466	VNDWRZNRRFWHMT-UHFFFAOYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-150100
s1cc(nc1C)/C=C(/[C@H]1OC2OC2[C@@H](OCc2ccc(OC)cc2)C1)C	PC-id_10667075	373.466	VNDWRZNRRFWHMT-ROKCWJORSA-N	00100000100010110001010000000000000000000000000000000000	22-01-150101
S(=O)(=O)(C12C(OC(OC)C1NCc1ccccc1)C2)c1ccc(cc1)C	PC-id_74109891	373.466	NVFDOQKMRGYRSF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150102
C1(C(=O)Nc2nnc(CCOc3cccc(OC)c3)s2)C2C1CCCC2	EMOLS-id_30440557,MCULE-4570911549,SYN-20064337,PC-id_46972366	373.469	LQILKOKJXSEELU-UHFFFAOYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-150103
CC(C)c1ccc(n2cnnc2SCC(=O)OC[C@@H]2[C@H]3CCO[C@@H]23)cc1	ZINC22_1875310657	373.469	XQCUTAYYTAKEEC-JFIYKMOQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-150104
CC(C)c1ccc(n2cnnc2SCC(=O)OC[C@@H]2[C@@H]3CCO[C@H]23)cc1	ZINC22_1875310658	373.469	XQCUTAYYTAKEEC-JZXOWHBKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-150105
CC(C)c1ccc(n2cnnc2SCC(=O)OC[C@@H]2[C@@H]3CCO[C@@H]23)cc1	ZINC22_1875310659	373.469	XQCUTAYYTAKEEC-LZLYRXPVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-150106
CC(C)c1ccc(n2cnnc2SCC(=O)OC[C@H]2[C@H]3OCC[C@H]23)cc1	ZINC22_1875310660	373.469	XQCUTAYYTAKEEC-NUJGCVRESA-N	00100010100000110001110000000000000000000000000000000000	22-01-150107
COc1cccc(c1)OCCc1nnc(s1)NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_498026	373.469	LQILKOKJXSEELU-SCAQPMJSSA-N	00100000100010110001010000000000000000000000000000000000	22-01-150108
COc1cccc(OCCc2nnc(NC(=O)C3[C@H]4CCCC[C@H]34)s2)c1	PC-id_98138218,ZINC22_100772944	373.469	LQILKOKJXSEELU-GJZGRUSLSA-N	00100000100010110001010000000000000000000000000000000000	22-01-150109
COc1cccc(OCCc2nnc(NC(=O)C3[C@@H]4CCCC[C@@H]34)s2)c1	ZINC22_100772946,PC-id_98138219	373.469	LQILKOKJXSEELU-HUUCEWRRSA-N	00100000100010110001010000000000000000000000000000000000	22-01-150110
COc1cccc(OCCc2nnc(NC(=O)C3[C@H]4CCCC[C@@H]34)s2)c1	ZINC22_19565974,PC-id_51597088	373.469	LQILKOKJXSEELU-FKEKPDDDSA-N	00100000100010110001010000000000000000000000000000000000	22-01-150111
COc1cccc(OCCc2nnc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)s2)c1	ZINC22_248133272,CoCoCo_498025	373.469	LQILKOKJXSEELU-QLPKVWCKSA-N	00100000100010110001010000000000000000000000000000000000	22-01-150112
N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CC1CCC2C1C2	EMOLS-id_101193355	373.469	BVBFARBSEZAOJB-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-150113
NCC[C@@H](CC(C(C(C(=O)OC)C)OC1OC(C)C2C(C1)(OC)O2)C)C	PC-id_141813264	373.484	DQLCOLTUWPRTQM-HJHQFOPJSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150114
CCOC(=O)[C@H]1[C@H]2[C@@H]1C(CC2)N(C(=O)OC(C)(C)C)Cc1cccc(c1)C	EMOLS-id_36029160	373.486	DZDININBQZCULH-MVCQKVDPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150115
CC1=N/C=CC(=C)[C@H]2CC2C(=O)NCC/C=C/C[C@@H]1NC(=O)OC(C)(C)C	PC-id_135279681	373.489	KNZMDRBVHNLDTL-ZNPSYILVSA-N	00100000000000000111010000000000000000000000000000000000	22-01-150116
COc1ccc(cc1)C(N1CCOCC1)CNC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_99790555	373.489	AWGTUJVTOYSHKR-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-150117
O=C(C1C2C1CN(C2)C(=O)OC(C)(C)C)NC(c1ccc(nc1C)C)(C)C	SCHEMBL19724614	373.489	RNGMSMBUBLQRAJ-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-150118
O=C(C1C2C1CN(C2)C(=O)OC(C)(C)C)NC(c1cnc(cc1C)C)(C)C	SCHEMBL19724428	373.489	BLZRQZZXLJPZOK-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-150119
O=C(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(c1ccc(nc1C)C)(C)C	PC-id_117709342	373.489	RNGMSMBUBLQRAJ-FKEKPDDDSA-N	00100010000000101000010000000000000000000000000000000000	22-01-150120
O=C(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(c1cnc(cc1C)C)(C)C	PC-id_117709344	373.489	BLZRQZZXLJPZOK-FKEKPDDDSA-N	00100010000000101000010000000000000000000000000000000000	22-01-150121
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O=C([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(c1cnc(cc1C)C)(C)C	SCHEMBL16252907	373.489	BLZRQZZXLJPZOK-QLPKVWCKSA-N	00100010000000101000010000000000000000000000000000000000	22-01-150124
O=C(N1C2C(C2)CC1C#N)C(NC(=O)OC(C)(C)C)C1(CCCCC1)C=C	PC-id_72762332	373.489	ZWEPTHIPEGAXFN-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150125
O=C(N1CC2C(C1)C2(C)C)NCc1cccc(c1)OCCN1CCOCC1	EMOLS-id_99787894	373.489	LALKQNVRBMRXCR-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-150126
O=C(N1[C@@H]2[C@@H](C2)C[C@H]1C#N)[C@@H](NC(=O)OC(C)(C)C)C1(CCCCC1)C=C	PC-id_11234155	373.489	ZWEPTHIPEGAXFN-LTIDMASMSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150127
O=C(OC(C)(C)C)N[C@H]1C/C=C/CCNC(=O)C2[C@@H](C(=C)/C=CN=C
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O=C(N1C[C@@H]2[C@H](C1)[C@@H]2Nc1cc(nc(n1)N)C1CCCCC1)OC(C)(C)C	SCHEMBL3199867	373.492	GBRQBXPRILLDAT-XOIINTDNSA-N	00100010000010100001110000000000000000000000000000000000	22-01-150130
O(C(=O)N1CC2C(C2Nc2nc(nc(c2)C2CCCCC2)N)C1)C(C)(C)C	PC-id_77512778	373.492	GBRQBXPRILLDAT-UHFFFAOYSA-N	00100010000010100001110000000000000000000000000000000000	22-01-150131
OC(=O)N1CC2(C(C2Nc2nc(nc(c2)C2CCCCC2)N)C1)C(C)(C)C	PC-id_77512779	373.492	KJLQBABRJKIFSN-UHFFFAOYSA-N	00100010000010100001110000000000000000000000000000000000	22-01-150132
O(C(=O)N1CC2C(C2Nc2nc(nc(c2)CC2CCCC2)N)C1)C(C)(C)C	PC-id_77512317	373.492	XLYYAXOYKLDGRZ-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-150133
OC(=O)N1CC2(C(C2Nc2nc(nc(c2)CC2CCCC2)N)C1)C(C)(C)C	PC-id_77512318	373.492	HDGJDIQBYGUQMQ-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-150134
OC(=O)N1C[C@@]2([C@H]([C@@H]2Nc2nc(nc(c2)C2CCCCC2)N)C1)C(C)(C)C	SCHEMBL3199873,PC-id_68547269	373.492	KJLQBABRJKIFSN-RISOHXOYSA-N	00100010000010100001110000000000000000000000000000000000	22-01-150135
OC(=O)N1C[C@@]2([C@H]([C@@H]2Nc2nc(nc(c2)CC2CCCC2)N)C1)C(C)(C)C	PC-id_68543590,SCHEMBL3190297	373.492	HDGJDIQBYGUQMQ-UVFQYZLESA-N	00100010000000100001010000000000000000000000000000000000	22-01-150136
O(C(=O)N1C[C@@H]2[C@@H](C2Nc2nc(nc(c2)C2CCCCC2)N)C1)C(C)(C)C	PC-id_68547265	373.492	GBRQBXPRILLDAT-VMZNBEPHSA-N	00100010000010100001110000000000000000000000000000000000	22-01-150137
O(C(=O)N1C[C@@H]2[C@@H](C2Nc2nc(nc(c2)CC2CCCC2)N)C1)C(C)(C)C	PC-id_68543584	373.492	XLYYAXOYKLDGRZ-FKEKPDDDSA-N	00100010000000100001010000000000000000000000000000000000	22-01-150138
CCCS(=O)(=O)C12CCOC(=O)CCCC(=O)CCCCCCC1N2	PC-id_141013622	373.507	CRTVJTYCPFRRCW-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-150139
CCOC(=O)C1[C@@H]2C1C(=N)[C@@H]([C@H](O2)COC(C)(C)C)OSC(C)(C)C	PC-id_143869473	373.507	BRWRBVOUOPPNJM-UIWQZIKGSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150140
CSc1ccccc1NC(=O)N1CCC2CC12C(=O)N1CCC(C)CC1	EMOLS-id_324107573	373.512	INRYCRSPEFVFSD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150141
CSc1ccccc1NC(=O)N1CC[C@@H]2C[C@@]12C(=O)N1CCC(C)CC1	ZINC22_2056225214	373.512	INRYCRSPEFVFSD-FOIQADDNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150142
CSc1ccccc1NC(=O)N1CC[C@H]2C[C@@]12C(=O)N1CCC(C)CC1	ZINC22_2056225215	373.512	INRYCRSPEFVFSD-MGPUTAFESA-N	00100010000010110000010000000000000000000000000000000000	22-01-150143
CSc1ccccc1NC(=O)N1CC[C@@H]2C[C@]12C(=O)N1CCC(C)CC1	ZINC22_2056225216	373.512	INRYCRSPEFVFSD-QRWLVFNGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150144
CSc1ccccc1NC(=O)N1CC[C@H]2C[C@]12C(=O)N1CCC(C)CC1	ZINC22_2056225217	373.512	INRYCRSPEFVFSD-YWZLYKJASA-N	00100010000010110000010000000000000000000000000000000000	22-01-150145
O=C(N1CC2C(C1)C2(C)C)Nc1ccc(cc1)CC(=O)N1CCSCC1	EMOLS-id_111856702	373.512	SVAMSUDCXJDHMX-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-150146
O=C(N1CC2C(C1)C2(C)C)Nc1cc(ccc1C)C(=O)N1CCSCC1	EMOLS-id_97687822	373.512	AYBYUOCERQVCMF-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-150147
O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1CC2C(C1C(=O)O)C2(C([2H])([2H])[2H])C([2H])([2H])[2H]	SCHEMBL12543791	373.52	ODCGBMOBUUHGRG-PHXAXVPPSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150148
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O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NC1(CNC(=O)C2CCN(CC3CC3)CC2)CC1	ZINC22_2325793075	373.532	DYZDGBWVAPSORP-CEXWTWQISA-N	00100010000010000000010000000000000000000000000000000000	22-01-150150
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NC1(CNC(=O)C2CCN(CC3CC3)CC2)CC1	ZINC22_2325793076	373.532	DYZDGBWVAPSORP-FHWLQOOXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150151
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NC1(CNC(=O)C2CCN(CC3CC3)CC2)CC1	ZINC22_2325793077	373.532	DYZDGBWVAPSORP-GBESFXJTSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150152
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NC1(CNC(=O)C2CCN(CC3CC3)CC2)CC1	ZINC22_2325793078	373.532	DYZDGBWVAPSORP-QYZOEREBSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150153
OC(=O)C1[C@@H]2[C@H]1CN(C2)CCC=C(c1ccc(s1)C)c1ccc(s1)C	PC-id_53322918,BindingDB_PC-id_53322918	373.532	JMFXQGNCJBXLCG-MCPYQZEQSA-N	00100010100100000000010000000000000000000000000000000000	22-01-150154
s1c(C(=CCCN2CC3C(C3C(=O)O)C2)c2sc(cc2)C)ccc1C	PC-id_76010428	373.532	JMFXQGNCJBXLCG-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-150155
S(=O)(=O)(N1CC2(C(C2CC)C1)C(=C)c1sccc1)c1ccc(cc1)C	PC-id_72786527	373.532	AOBJPJHQXIVWRZ-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-150156
S(=O)(=O)(N1C[C@@]2([C@@H]([C@H]2CC)C1)C(=C)c1sccc1)c1ccc(cc1)C	PC-id_11291763	373.532	AOBJPJHQXIVWRZ-QWFCFKBJSA-N	00100010100100110000010000000000000000000000000000000000	22-01-150157
CCSc1ccc(cn1)/C(=CC1CCCC1)/C(=O)NC1=NC2C(S1)C2	PC-id_142933301	373.535	LHNUOJJLCHHHCJ-NTEUORMPSA-N	00100011000000101001010000000000000000000000000000000000	22-01-150158
CN1CCN(Cc2nnc(C3CCN(C[C@H]4[C@@H]5CNC[C@H]45)CC3)n2C)CC1	MCULE-2342399884,EMOLS-id_46055015,ZINC22_102410728	373.539	WVLUQTPHCCRTOT-PIIMJCKOSA-N	00100010100010000001110000000000000000000000000000000000	22-01-150159
N1C[C@H]2[C@H](C2CN2CCC(CC2)c2n(c(nn2)CN2CCN(CC2)C)C)C1	PC-id_72879248	373.539	WVLUQTPHCCRTOT-JWTNVVGKSA-N	00100010100010000001110000000000000000000000000000000000	22-01-150160
Cc1ccc(cc1)S(=O)(=O)N1CC2C(C1)(C2)C(=C(C)C)/C=C/C(C)(C)C	PC-id_101706476	373.552	CGKGUCFROQWSDE-VAWYXSNFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150161
BrC(C1CC2C(C2)C1)c1c(OCC)ccc(Br)c1	PC-id_80469617	374.111	OXBLIHRAANCQSV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150206
S(=O)(=O)(N1C(C2(C(C2)C1)C(=C)CC=C)C(C)C)c1c(cc(cc1C)C)C	PC-id_74028513	373.552	VESCVCNXNWRHSF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150162
S(=O)(=O)(N1[C@H]([C@@]2([C@@H](C2)C1)C(=C)CC=C)C(C)C)c1c(cc(cc1C)C)C	PC-id_23247826	373.552	VESCVCNXNWRHSF-ILWGZMRPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150163
COc1ccc(cc1)[C@H](N1[C@@H]2[C@H]1[C@@H](C=CC2=O)O[Si](C(C)(C)C)(C)C)C	PC-id_102335710	373.561	VWFFHJZWWTVGDL-HOSHUCMYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-150164
CC1CCC(C(C1)C(=C)NCC(CCC(=O)C1CC2CC2CC1C)(C)C)C	PC-id_143570178	373.615	WELNSGVQQBXUSD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150165
ClC(Cl)(Cl)C(=O)NC1C2OC2CCN(C1)C(=O)OC(C)(C)C	PC-id_77990914	373.66	JRELCPCXLMPNKV-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-150166
ClC(Cl)(Cl)C(=O)N[C@@H]1[C@@H]2O[C@@H]2CCN(C1)C(=O)OC(C)(C)C	PC-id_71489499	373.66	JRELCPCXLMPNKV-YIZRAAEISA-N	00100000000000000100010000000000000000000000000000000000	22-01-150167
Brc1c(C(Cl)C2C3C2CCC3)cc(OCC)c(OCC)c1	PC-id_81637976	373.712	SDDPOHJDMBIBLT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150168
Brc1c(C(Cl)C2CC3C(C3)C2)cc(OCC)c(OCC)c1	PC-id_80469189	373.712	XERLZJZWJRYNPN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150169
BrC(C1C2C1CCC2)c1cc(OCC)c(OCC)cc1Cl	PC-id_81637480	373.712	ZMSBVCJCRSPZLE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150170
BrC(C1CC2C(C2)C1)c1cc(OCC)c(OCC)cc1Cl	PC-id_80468936	373.712	KLYCJGLJLFWVJV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150171
COCCOc1ccc(cc1Br)C(C1C2C1CCCC2)Cl	PC-id_104662275	373.712	AXAVHLTWPYCDTD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150172
[Si](O[Si](C[Si](O[Si])(C)C)(C)C)(CCC1CC2OC2CC1)(C)C	PC-id_58856773	373.763	VBFIDWNKSFAZJO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150173
C1CC(C2(C1C2O)O)(Nc1c(c(nc(n1)N)Cl)C#Cc1ccccn1)O	PC-id_91410303	373.794	BVTQARFJEVKUND-UHFFFAOYSA-N	00100010000010101001010000000000000000000000000000000000	22-01-150174
BrB1[B][B][B][B]C2C(B(B([B][B]1)Br)Br)[B]2	PC-id_121233642	373.859	KZOJFIAQBQGQIH-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-150175
C1(CO)(CO)C2C1CN(Cc1ccccc1OCc1ccc(cc1)Cl)C2	MCULE-9610162774,EMOLS-id_317881776	373.873	STWQWRSMRUADMP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150176
OCC1(CO)[C@H]2CN(Cc3ccccc3OCc3ccc(Cl)cc3)C[C@@H]12	ZINC22_1772811375	373.873	STWQWRSMRUADMP-KDURUIRLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150177
OCC1(CO)[C@H]2CN(Cc3ccccc3OCc3ccc(Cl)cc3)C[C@H]12	ZINC22_1772811377	373.873	STWQWRSMRUADMP-OALUTQOASA-N	00100010000000110000010000000000000000000000000000000000	22-01-150178
OCC1(CO)[C@@H]2CN(Cc3ccccc3OCc3ccc(Cl)cc3)C[C@@H]12	ZINC22_1772811379	373.873	STWQWRSMRUADMP-RTBURBONSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150179
[C@H]12CN(C[C@H]1[C@@H]2CN(C)C)C(=O)NCc1c[nH]nc1c1ccc(cc1)Cl	MCULE-7531907596,ZINC22_426429879,EMOLS-id_177394778	373.88	XWFKYOKFGKOWEO-OSYLJGHBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-150180
Clc1cc(C(=O)NCCNCC(=C)N2C3C(C3)CC2C#N)c(NC)cc1	PC-id_77822671	373.88	IOWNICNRHQCBQW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150181
Clc1cc(C(=O)NCCNCC(=C)N2[C@@H]3[C@@H](C3)CC2C#N)c(NC)cc1	SCHEMBL8256778,PC-id_70322151	373.88	IOWNICNRHQCBQW-CLIJRUEWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150182
CN(CC1[C@@H]2[C@H]1CN(C2)C(=O)NCc1cn[nH]c1c1ccc(cc1)Cl)C	PC-id_121498937	373.88	XWFKYOKFGKOWEO-ALOPSCKCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-150183
CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2CN(C(=O)c1ncn(c1)C)Cc1cccc(c1)Cl	GD-id_ZINC43059246	373.9	IVZJROIOJSZARI-PIIMJCKOSA-O	00100010100010110001010000000000000000000000000000000000	22-01-150184
BrC(=C)CN1CCC2C(C1)C2(Br)Br	EMOLS-id_107156605	373.91	ZXPVUERIGUBQTI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150185
BrC(=C)CN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262498223	373.91	ZXPVUERIGUBQTI-JGVFFNPUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150186
C1CC2C(O2)CC1CC[Si](CCCl)(Br)Br	PC-id_153992574	373.91	BUQSOIKGESDZAP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150187
C1C2(C1(CN(C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)C=O	PC-id_162367538	373.957	FEKRPCGSGDRKAC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150188
CC(CI)c1ccc(cc1)OC1CC2C(O2)C(=O)O1	PC-id_163984711	374.002	TVGCJJKUTWFKOC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150189
CCOC(=O)C1C2C1C(C(C2)OS(=O)(=O)C(F)(F)F)C(=O)OCC	PC-id_154484255	374.065	VXQANUIXSXZNJG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150190
CCOC(=O)C1CCC2C1(C2C(=O)OCC)OS(=O)(=O)C(F)(F)F	PC-id_154163636	374.065	KKYBAEXCERRGJZ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150191
Brc1c(NC(=O)C2C3C2CCC3)c(Br)cc(N)c1	PC-id_81622783	374.071	NBOCTHVRKADBLI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150192
Brc1c(NC(=O)C2C3C2CCC3)c(N)cc(Br)c1	PC-id_81623073	374.071	PFDWMTGKQMGECV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150193
Brc1c(NC(=O)C2CC3C(C3)C2)c(Br)cc(N)c1	PC-id_80466096	374.071	KHCUMUPOVUXAQW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150194
Brc1c(NC(=O)C2CC3C(C3)C2)c(N)cc(Br)c1	PC-id_80466308	374.071	IEPYPGPYAZVBJB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150195
CNC(=O)C1=CC(=C(O1)CC2=CC(=CC=C2)Cl)C(=O)NC3C4C3COC4	PC-id_153537902	374.103	JHRYNPOFVHGHLL-UHFFFAOYSA-N	00100010101000110000010000000000000000000000000000000000	22-01-150196
Brc1c(C(O)C2C3C2CCCC3)cc(Br)c(c1)C	PC-id_81643117	374.111	SOIYULXLVIZETN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150197
BrC(C1C2C1CCC2)c1c(Br)cc(OCC)cc1	PC-id_81637327	374.111	MLIAXXYSPNENBD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150198
BrC(C1C2C1CCC2)c1c(OC)cc(c(Br)c1)C	PC-id_81636984	374.111	CRSKCXGENCAMSM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150199
BrC(C1C2C1CCC2)c1c(OCC)ccc(Br)c1	PC-id_81636802	374.111	YFECZKNUWIQOEB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150200
BrC(C1C2C1CCCC2)c1c(Br)cc(OC)cc1	PC-id_81637137	374.111	YBLZIALGZPWGBP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150201
BrC(C1C2C1CCCC2)c1cc(Br)c(OC)cc1	PC-id_81636168	374.111	BUEWEJFOXBFBND-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150202
BrC(C1C2C1CCCC2)c1c(OC)ccc(Br)c1	PC-id_81636497	374.111	MXAMLHZHWXMMOQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150203
BrC(C1CC2C(C2)C1)c1c(Br)cc(OCC)cc1	PC-id_80469647	374.111	RCMINBPKWGJYKH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150204
BrC(C1CC2C(C2)C1)c1c(OC)cc(c(Br)c1)C	PC-id_80469300	374.111	IPCYURLAXDEJDV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150205
BrCC1(CC2C(C2)C1)Cc1c(OC)ccc(Br)c1	PC-id_80473299	374.111	XEKNFVVVTWBROD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150209
BrCC1(CC2C(C2)C1)CCOc1cc(Br)ccc1	PC-id_80473121	374.111	JLBCEYKFKQJPDF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150210
BrCC1(CC2C(C2)C1)CCOc1ccc(Br)cc1	PC-id_80473326	374.111	YOJIHVOOCNEAJJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150211
CCOc1ccc(cc1Br)C(C1C2C1CCC2)Br	PC-id_104661803	374.111	WTKRTTNJSHRKHE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150212
CCOc1ccc(cc1Br)C(C1CC2C(C1)C2)Br	PC-id_104661777	374.111	HGVNOMQLXXOIEB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150213
CN(C)[C@H]1C[C@H](C[C@H]2[C@@H]1C2)OC(=O)NC3=C(C=C(C=C3)F)C4=CC=CS4	PC-id_155157202	374.146	FNYAFCONTUXNHA-FHIHXZLISA-N	00100000100110110000110000000000000000000000000000000000	22-01-150214
CC(C)(C)OC(=O)N1[C@@H](CC2([C@H]1C2)CNC(=O)C(CC=C)(F)F)C(=O)O	PC-id_165174454	374.165	KMQOCAHDURGTGZ-BBXPGFNESA-N	00100010000000000000010000000000000000000000000000000000	22-01-150215
IC1=C[C@H](O)[C@@H]2O[C@@H]2[C@@H]1OCc1ccc(OC)cc1	PC-id_49766230	374.171	DDLRMYKEQIMZCF-RFQIPJPRSA-N	00100000000011110000010000000000000000000000000000000000	22-01-150216
IC1=CC(O)C2OC2C1OCc1ccc(OC)cc1	PC-id_75274905	374.171	DDLRMYKEQIMZCF-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-150217
OC[C@]1(OCc2ccc(cc2)OC)C(=C[C@@H]2[C@H]1O2)I	PC-id_100916258	374.171	FORITTKEKHLXNS-BNOWGMLFSA-N	00100011000000110000010000000000000000000000000000000000	22-01-150218
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(Cl)cc(Cl)c1OC	ZINC22_1704312400,EMOLS-id_317371772,MCULE-4251255960,PC-id_135101196	374.173	ATHGOFSGEDHMMQ-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150219
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(Cl)c(c(Cl)c1)OC	ZINC22_1704314068,MCULE-6786882370,PC-id_135107354,EMOLS-id_317327232	374.173	NUKJWIVQTHJJLM-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150220
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)COc1ccc(cc1Cl)Cl	EMOLS-id_317330097,PC-id_135114141,MCULE-3531875757,ZINC22_1704329165	374.173	NTRRMLDQVXXHLZ-GASCZTMLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150221
C[C@@H](C1=NC=CN1CC2=NOC(=C2)C3=CC=C(C=C3)C#CC4[C@H]5[C@@H]4CNC5)O	PC-id_148987200	374.174	PWZKRODGOJRQLC-LRLLJDFBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-150222
CN1CC2CC2(C1)NC(=O)c1cc(n[nH]1)c1ccccc1Oc1ccccc1	PC-id_163806777	374.174	KDVPWXSGTYNFGT-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-150223
CN1C[C@H]([C@@H]2[C@H]1C2)NC(=O)c1cc(n[nH]1)c1ccccc1Oc1ccccc1	PC-id_164034269	374.174	VKRLOKJFZFXJGC-NSISKUIASA-N	00100010100000110001110000000000000000000000000000000000	22-01-150224
CN1C[C@@H]([C@H]2[C@@H]1C2)NC(=O)c1cc(n[nH]1)c1ccccc1Oc1ccccc1	PC-id_164034270	374.174	VKRLOKJFZFXJGC-VDGAXYAQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-150225
C1CC2C(O2)CC1OCCCS(=O)(=O)CCCOC3CCC4C(C3)O4	PC-id_154176559	374.176	RYOMDGUXGRMEQP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150226
C1CC(C2C(C1)O2)COCCS(=O)(=O)CCOCC3CCCC4C3O4	PC-id_153797778	374.176	HCXXTKHVLUXBMC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150227
C1CC(OC2C1C2)COCCS(=O)(=O)CCOCC3CCC4CC4O3	PC-id_153841753	374.176	MWTZTKFNIUSEBR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150228
CCC(C1C2C1CC(C2)NCC(=O)C3CC3)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153288851	374.176	YFVHNALHSLNAOC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150229
CCC1([C@H]2[C@@H]([C@]2(C(=O)O)F)[C@@]([C@@H]1N)(C(=O)O)NC(=O)OC(C)(C)C)CC	PC-id_153865877	374.185	BUUFDODKGIMGLG-SFCUEPLKSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150230
C1C2C(C2CCN=C(NC#N)NC3=CC=NC=C3)CN1C(=O)C4=CC=CC=C4	PC-id_153560040	374.186	LTZLCKOWXZLTMR-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-150231
C/C=C
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Brc1cc(c(s1)C(=O)N)NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)O	SCHEMBL14343303,PC-id_71147098	374.21	AOJACWPDPLAMOV-YQJDLUKNSA-N	00100010100100000000010000000000000000000000000000000000	22-01-150234
C[Si]1(C#C[Si](O1)(C)CCC1CCC2C(C1)O2)CCC1CCC2CC2C1	PC-id_164170290	374.21	ZUSWDNZWLSBQRC-UHFFFAOYSA-N	00100011000010000001010000000000000000000000000000000000	22-01-150235
CC[Si](OC)(OC)OC(C)(CCCOCC1CO1)C2CCC3C(C2)O3	PC-id_153977687	374.212	HLLKPUDUQXZBEB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150236
Clc1cc([C@H](O[C@H]2[C@](N)([C@H]3[C@H]([C@@H]3C(=O)O)C2)C(=O)O)C)ccc1Cl	PC-id_11234169	374.216	FJVIAHWUKVKMAY-KROSWYLDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150237
Clc1cc([C@@H](O[C@H]2[C@](N)([C@H]3[C@H]([C@@H]3C(=O)O)C2)C(=O)O)C)ccc1Cl	PC-id_11326287	374.216	FJVIAHWUKVKMAY-UVVCMCMDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150238
Clc1cc(C(OC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)C)ccc1Cl	PC-id_72762338	374.216	FJVIAHWUKVKMAY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150239
CC(C)(C)OC(=O)NC(C(=[N+]1C(C[C@H]2C1C2)C#N)OC)C1(CCCC1)C=C	PC-id_163637589	374.244	IBNHGZDOQRINJM-UKBSLWIUSA-O	00100010000000000000010000000000000000000000000000000000	22-01-150240
OC(=O)C1C2C1CCN(C2)S(=O)(=O)c1cccc(c1Br)C	EMOLS-id_319609584	374.25	BPEYEWMRIWRKGC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150241
CCCCCCCCCCCCOC12C(O[C@@H](C(C1C2O)O)OC)CO	PC-id_163919062	374.267	QYVHIUKNDAIKOP-BIKXEMDZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150242
C[C@]12C[C@H]1NC(C2)C(=O)Nc1nc(c(cc1CSC)F)Br	PC-id_135318141	374.272	DQZRZSUMXBMKBX-SZTVNRBXSA-N	00100010000000101000010000000000000000000000000000000000	22-01-150243
C[C@@]12C[C@H](N[C@@H]1C2)C(=O)Nc1nc(c(cc1CSC)F)Br	PC-id_135318804	374.272	DQZRZSUMXBMKBX-RBZYPMLTSA-N	00100010000000101000010000000000000000000000000000000000	22-01-150244
[2H][C@@]12C[C@H]2C[C@H](N(C1)C(=O)OC(C)(C)C)COc1cc(Cl)nc(c1)Cl	SCHEMBL608689	374.28	ZLJPQIYARSMCRM-GZNSYVSDSA-N	00100000000010101000010000000000000000000000000000000000	22-01-150245
Clc1cc(OC[C@@H]2C[C@@H]3C[C@@]3(CN2C(=O)OC(C)(C)C)[2H])nc(c1)Cl	SCHEMBL609142	374.28	LFHDWBWWZUNPDO-VZPAERFFSA-N	00100000000010101000010000000000000000000000000000000000	22-01-150246
O=C(N1c2c1ccc(c2)SC(F)(F)F)NC(=O)c1c(F)cccc1F	PC-id_143444648	374.285	WWYKBPJLLPVBAF-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-150247
Brc1cccc(NC(=O)C2C3CC/C=C/CC/C=CCCC23)c1	SPECS-id_AG-690/36004021,EMOLS-id_8227136	374.315	KVFSWFSBUJJKAD-CIIODKQPSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150248
Brc1ccc(NC(=O)C2C3C2CCC=CCCC=CCC3)cc1	PC-id_23850517	374.315	VRABFJQCRUKJRM-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150249
Brc1cc(NC(=O)C2C3C2CC/C=C/CCC=CCC3)ccc1	PC-id_11836641	374.315	KVFSWFSBUJJKAD-UHMKDZKBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150250
Brc1cc(NC(=O)C2C3C2CCC=CCCC=CCC3)ccc1	PC-id_4195851	374.315	KVFSWFSBUJJKAD-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150251
Brc1cc(NC(=O)C2[C@@H]3[C@@H]2CC/C=C/CCC=CCC3)ccc1	PC-id_11891870	374.315	KVFSWFSBUJJKAD-UHIXDNOXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150252
Brc1cc(NC(=O)C2[C@@H]3[C@H]2CCC=CCCC=CCC3)ccc1	PC-id_1205357	374.315	KVFSWFSBUJJKAD-DFNIBXOVSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150253
Brc1cc(NC(=O)C2[C@H]3[C@H]2CC/C=C/CCC=CCC3)ccc1	PC-id_27643216	374.315	KVFSWFSBUJJKAD-RIZSYMOGSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150254
Brc1cc(NC(=O)C2[C@H]3[C@@H]2CC/C=C/CCC=CCC3)ccc1	PC-id_7240340	374.315	KVFSWFSBUJJKAD-PMOGSPPWSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150255
O=C(Nc1cccc(Br)c1)C1[C@H]2CCC=CCCC=CCC[C@H]12	PC-id_5452694,ZINC22_252617540	374.315	KVFSWFSBUJJKAD-ADUPEVMXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150256
O=C(Nc1cccc(Br)c1)C1[C@H]2CC/C=CCC/C=C/CC[C@@H]12	PC-id_98416442,ZINC22_103116844	374.315	KVFSWFSBUJJKAD-NZJTVPFUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150257
O=C(Nc1cccc(Br)c1)C1[C@@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_17293237	374.315	KVFSWFSBUJJKAD-LSGMZNDJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150258
O=C(Nc1cccc(Br)c1)C1[C@@H]2CCC=CCCC=CCC[C@@H]12	ZINC22_252617542	374.315	KVFSWFSBUJJKAD-PWCSWUJKSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150259
O=C(Nc1cccc(Br)c1)C1[C@H]2CC/C=CCC/C=C/CC[C@H]12	ZINC22_36033992	374.315	KVFSWFSBUJJKAD-XSESPLPZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150260
O=C(Nc1cccc(Br)c1)C1[C@H]2CC/C=C/CC/C=CCC[C@@H]12	ZINC22_974494	374.315	KVFSWFSBUJJKAD-AEJYPDECSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150261
O=C(Nc1cccc(Br)c1)[C@@H]1[C@H]2CCC=CCCC=CCC[C@@H]12	ZINC22_252617541	374.315	KVFSWFSBUJJKAD-BWTSREIZSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150262
O=C(Nc1cccc(Br)c1)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@H]12	ZINC22_253387578	374.315	KVFSWFSBUJJKAD-GMFDKDDBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150263
O=C(Nc1cccc(Br)c1)[C@H]1[C@H]2CC/C=C/CC/C=CCC[C@@H]12	ZINC22_253387579	374.315	KVFSWFSBUJJKAD-WOVFQEGDSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150264
O=C(Nc1cccc(Br)c1)[C@@H]1[C@@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_253387580	374.315	KVFSWFSBUJJKAD-XANVIZKASA-N	00100000000000110110010000000000000000000000000000000000	22-01-150265
O=C(Nc1cccc(Br)c1)[C@@H]1[C@H]2CC/C=CCC/C=C/CC[C@@H]12	ZINC22_253387581	374.315	KVFSWFSBUJJKAD-ZOYJPBRRSA-N	00100000000000110110010000000000000000000000000000000000	22-01-150266
CCC12C(C1C(=O)O)CC(C2=O)Cc1cc(ccc1)OC(C(F)F)(F)F	SCHEMBL8763766,PC-id_88361902	374.327	HZPCTQOHELSHKV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150267
CCOC(=O)OCOC(=O)[C@@H]1CC[C@@H]2[C@H]1[C@H]2C(=O)OCOC(=O)OCC	PC-id_67563095,SCHEMBL8358680	374.34	AZTBPDSMQPGVKB-KKOKHZNYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150268
O(C(=O)C1C2C1CCC2C(=O)OCOC(=O)OCC)COC(=O)OCC	PC-id_77314465	374.34	AZTBPDSMQPGVKB-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150269
c1c(cc(c(c1C(=O)OC)C(=O)[C@@]12[C@@H](OC(=CC1=O)/C=C/C)O2)OC)OC	CMNPD24864,PC-id_139583939	374.341	MBAPGCKKDRYSNP-OBNUAKFSSA-N	00100000000011110000010000000000000000000000000000000000	22-01-150270
c1c(cc(c(c1C(=O)OC)C(=O)[C@]12[C@H](OC(=CC1=O)/C=C/C)O2)OC)OC	PC-id_139585694,CMNPD24865	374.341	MBAPGCKKDRYSNP-YSKLNCTFSA-N	00100000000011110000010000000000000000000000000000000000	22-01-150271
C/C=C/C1=CC(=O)C2(C(O1)O2)C(=O)c1c(OC)cc(cc1C(=O)OC)OC	PC-id_102211600	374.341	MBAPGCKKDRYSNP-AATRIKPKSA-N	00100000000011110000010000000000000000000000000000000000	22-01-150272
O=C(OC)c1cc(OC)cc(OC)c1C(=O)C12OC1OC(=CC2=O)C=CC	CNP0353921	374.341	MBAPGCKKDRYSNP-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-150273
COP(=O)(OCCOCCNC(=O)OCC1[C@@H]2[C@H]1CCC#CCC2)[O-]	PC-id_140798181	374.346	RSALJDVUFMRGPX-YIONKMFJSA-M	00100000000000000110010000000000000000000000000000000000	22-01-150274
CCCCCCCCCCCCCCCCCCCCC12C=CC=CC1O2	PC-id_154322895	374.355	QCHBSMVOQKNHJT-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-150275
FC(F)(F)c1cc(c2c(C(=O)N3C(C4C(C4)C3)C(=O)N)cccc2)ccc1	PC-id_76542636	374.356	BTASJKPIFRKHBH-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-150276
FC(F)(F)c1cc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)C(=O)N)cccc2)ccc1	SCHEMBL2930625,PC-id_57489167	374.356	BTASJKPIFRKHBH-JLZZUVOBSA-N	00100010000000110000110000000000000000000000000000000000	22-01-150277
FC(F)(F)c1ccc(c2c(C(=O)N3C(C4C(C4)C3)C(=O)N)cccc2)cc1	PC-id_76542739	374.356	JDBQATFBIKYXKU-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-150278
FC(F)(F)c1ccc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)C(=O)N)cccc2)cc1	SCHEMBL2931380,PC-id_57489367	374.356	JDBQATFBIKYXKU-JLZZUVOBSA-N	00100010000000110000110000000000000000000000000000000000	22-01-150279
C1CCCCC2C(C1)P2PCCPP1C2C1CCCCCC2	PC-id_140384611	374.358	LUKZCQLVLHOXNL-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-150280
CC(C)(C)OC(=O)N1C2CC2CC1C(=O)Nc1nn(cc1)CC(F)(F)F	PC-id_89924022	374.358	YFBBTUSBIZCYFP-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-150281
O=C([C@@H]1CC2[C@H](N1C(=O)OC(C)(C)C)C2)Nc1ccn(n1)CC(F)(F)F	SCHEMBL18401012	374.358	YFBBTUSBIZCYFP-ZOCYIJKUSA-N	00100010100000000001010000000000000000000000000000000000	22-01-150282
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)OC(C)(C)C)C2)Nc1ccn(n1)CC(F)(F)F	SCHEMBL15415854	374.358	YFBBTUSBIZCYFP-MXWKQRLJSA-N	00100010100000000001010000000000000000000000000000000000	22-01-150283
O=C([C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C)Nc1ccn(n1)CC(F)(F)F	SCHEMBL18591411	374.358	VHXAEEJAYZCOAF-FOGDFJRCSA-N	00100010100000000001010000000000000000000000000000000000	22-01-150284
CC(C(=O)NC1(CC(C2C1C2C(=O)O)F)C(=O)O)NC(=O)OC(C)(C)C	PC-id_90803217	374.361	HTEKZDDZPJUUDX-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150285
FC1C2C(C2C(=O)O)C(NC(=O)CCNC(=O)OC(C)(C)C)(C1)C(=O)O	PC-id_77214869	374.361	QAVWMERIFQJSEI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150286
FC1C2[C@@H]([C@H]2C(=O)O)[C@@](NC(=O)CCNC(=O)OC(C)(C)C)(C1)C(=O)O	PC-id_69258627	374.361	QAVWMERIFQJSEI-UAKJCRORSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150287
FC1C2[C@@H]([C@H]2C(=O)O)[C@@](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C)(C1)C(=O)O	PC-id_69258597	374.361	HTEKZDDZPJUUDX-FCZZVMPVSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150288
F[C@H]1[C@@H]2[C@@H]([C@H]2C(=O)O)[C@@](NC(=O)CCNC(=O)OC(C)(C)C)(C1)C(=O)O	PC-id_66902070,SCHEMBL1086698	374.361	QAVWMERIFQJSEI-KBRKYCJYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150289
F[C@H]1[C@@H]2[C@@H]([C@H]2C(=O)O)[C@@](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C)(C1)C(=O)O	SCHEMBL1086695,PC-id_59712898	374.361	HTEKZDDZPJUUDX-QSXUULAASA-N	00100010000010000000010000000000000000000000000000000000	22-01-150290
F[C@H]1[C@@H]2[C@@H]([C@H]2C(=O)O)[C@@](NC(=O)[C@H](NC(=O)OC(C)(C)C)C)(C1)C(=O)O	SCHEMBL12569200,PC-id_68318432	374.361	HTEKZDDZPJUUDX-VRMXRTBFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150291
O=C(OC(C)(C)C)NCCC(=O)N[C@]1(C[C@H](C2[C@H]1[C@H]2C(=O)O)F)C(=O)O	SCHEMBL4962232	374.361	QAVWMERIFQJSEI-ACALRXPHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150292
O=C(OC(C)(C)C)N[C@H](C(=O)N[C@]1(C[C@H](C2[C@H]1[C@H]2C(=O)O)F)C(=O)O)C	SCHEMBL4962166	374.361	HTEKZDDZPJUUDX-VPSSXGORSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150293
CCOC(=O)C1(CC2C(C1)(C2)C(=C)C(=O)OC)P(=O)(OCC)OCC	PC-id_58689550,SCHEMBL13108995	374.366	LMWWRYVSBXXZJG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150294
N#CC1=C(C(=O)C(C2C1C2)C)C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C	PC-id_139663266	374.368	NVVZUOCYUTVXQZ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-150295
C/C(=CC(F)(F)F)/C(=NOC)/c1ccc(s1)C(=O)N1CCC2C(C1)O2	SCHEMBL20082313,PC-id_134446858	374.378	MYRISQZGZYWFGS-MXXPPROYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-150296
C=CCC(C(=O)NC[C@]12C[C@H](N([C@@H]2C1)C(=O)OC(C)(C)C)C(=O)O)(F)F	PC-id_135319182,SCHEMBL20489093	374.38	KMQOCAHDURGTGZ-USBNGQNGSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150297
OCC1[C@@H]2[C@H]1CN(C2)C(=O)NCc1ccc(c(c1)F)Oc1ccccc1F	PC-id_139009337	374.381	SNWYTZQDARFQNO-YIONKMFJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150298
O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	EMOLS-id_320359493,MCULE-6138975483,ZINC22_644170535	374.381	SNWYTZQDARFQNO-FICVDOATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150299
COc1ccc(cc1)Cc1ccccc1OC1C(C2(C(C2(O1)CO)O)O)O	PC-id_91373732	374.384	ZXPJRINHGVAMOF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150300
C1C(CN(C1C#N)C(=O)CNC12CC1CN(C2)C(=O)c1ccc(cc1)F)F	PC-id_91268416	374.385	XFYUKXGUOPTGBO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150301
Fc1c(C(=O)N2CC3C(C3NCC(=O)N3C(CCC3)C#N)C2)c(F)ccc1	PC-id_77632866	374.385	RDPLHPOJOYYMRG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150302
Fc1c(C(=O)N2CC3C(C3NCC(=O)N3[C@@H](CCC3)C#N)C2)c(F)ccc1	SCHEMBL4896220,PC-id_69232793	374.385	RDPLHPOJOYYMRG-CKNZGFSTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150303
F[C@@H]1CN(C(=O)CNC2C3C2CN(C3)C(=O)c2ccc(F)cc2)[C@@H](C1)C#N	SCHEMBL4894309,PC-id_16224111	374.385	RWFPPHFEFUKAQS-RSOWUBFDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150304
F[C@@H]1CN(C(=O)CNC2C3C2CN(C3)C(=O)c2cc(F)ccc2)[C@@H](C1)C#N	PC-id_16225930,SCHEMBL4895800	374.385	GLNJDNBVQNMRTN-RSOWUBFDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150305
F[C@@H]1CN(C(=O)CNC2[C@H]3[C@@H]2CN(C3)C(=O)c2ccc(F)cc2)[C@@H](C1)C#N	PC-id_51031064	374.385	RWFPPHFEFUKAQS-RDEFKLACSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150306
N#C[C@@H]1C[C@H](F)CN1C(=O)CN[C@H]1[C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]12	ZINC22_101772465	374.385	RWFPPHFEFUKAQS-YXISZKLHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150307
CC(=O)NC(C(=O)NCCCCC(=O)O)COC1OC(C)C2C(C1O)O2	PC-id_144016562	374.386	AVZXAHWVXMLSKB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150308
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CCC(=O)Nc1cccc(CC)c1	MCULE-7237648529,ZINC22_1704337388,EMOLS-id_317338304,PC-id_135110928	374.388	RXCTTWMURMYTAF-KDURUIRLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150309
O=C(NC(C(=O)N1C(CCC1)C(=O)N)Cc1[nH]cnc1)C12NC(=O)CC1C2	PC-id_78174023	374.394	MJTKVZDHIBJJAQ-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-150310
O=C(N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N)Cc1[nH]cnc1)C12NC(=O)CC1C2	PC-id_195325	374.394	MJTKVZDHIBJJAQ-DYVBBLHISA-N	00100010100000000001010000000000000000000000000000000000	22-01-150311
FC(F)(F)c1cc(c2c(C(=O)N3C(C4C(C4)C3)CN)cccc2C)ccc1	PC-id_77500962	374.399	QBWDZJJKPZGADZ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-150312
FC(F)(F)c1cc(c2c(C(=O)N3C(C4C(C4)C3)CN)ccc(c2)C)ccc1	PC-id_77501465	374.399	OYGNPDFSGPGUAT-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-150313
FC(F)(F)c1cc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)CN)cccc2C)ccc1	PC-id_68443211,SCHEMBL2925368	374.399	QBWDZJJKPZGADZ-ZTFGCOKTSA-N	00100010000000110000110000000000000000000000000000000000	22-01-150314
FC(F)(F)c1cc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)CN)ccc(c2)C)ccc1	PC-id_68446545,SCHEMBL2933414	374.399	OYGNPDFSGPGUAT-NIKGAXFTSA-N	00100010000000110000110000000000000000000000000000000000	22-01-150315
COc1ccc(cc1NC(=O)CC12CCCCC1C2(F)F)S(=O)(=O)N	EMOLS-id_316908527,MCULE-3151209029	374.403	XEODLYHAEPELES-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150316
COc1ccc(S(=O)(=O)N)cc1NC(=O)C[C@]12CCCC[C@@H]1C2(F)F	ZINC22_665763010	374.403	XEODLYHAEPELES-DZGCQCFKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150317
COc1ccc(S(=O)(=O)N)cc1NC(=O)C[C@@]12CCCC[C@H]1C2(F)F	ZINC22_665763011	374.403	XEODLYHAEPELES-HIFRSBDPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150318
COc1ccc(S(=O)(=O)N)cc1NC(=O)C[C@]12CCCC[C@H]1C2(F)F	ZINC22_665763012	374.403	XEODLYHAEPELES-UKRRQHHQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150319
COc1ccc(S(=O)(=O)N)cc1NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F	ZINC22_665763013	374.403	XEODLYHAEPELES-ZFWWWQNUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150320
CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H](N)C[C@@H]2[C@H]1[C@@]2(F)C(=O)OCC	PC-id_66628652,SCHEMBL232862	374.404	JHWWAQFDLBOPNR-NYBZRYDBSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150321
FC1(C2C1CC(N)C2(NC(=O)OC(C)(C)C)C(=O)OCC)C(=O)OCC	PC-id_77155342	374.404	JHWWAQFDLBOPNR-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150322
C1CC(C2C1O2)(CCS(=O)(=O)CCC1(CCC2C1O2)C(=O)O)C(=O)O	PC-id_88670596,SCHEMBL10801316	374.406	BYMVOUHTAKAZTM-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150323
Cc1ccc(cc1)S(=O)(=O)OC[C@H]([C@H]1O[C@@]2([C@]([C@H]1O)(C2(C)C)O)O)O	SCHEMBL7643380	374.406	PKOILXXLSBVXPT-KLUNEYRZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150324
S(=O)(=O)(CCOC(=O)C1C2OC2CC1)CCOC(=O)C1C2OC2CC1	PC-id_20214760	374.406	LGUYBMYXDBQACH-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150325
N#C[C@H](Cc1ccc(cc1)c1ccc(c(c1)F)C#N)NC(=O)C1CCC2N1C2	PC-id_144702214	374.411	ARQDNJNVECPIIN-GTVXXBEZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-150326
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C[Si](c1ccccc1)(OCC1CCC2C(C1)O2)OCC1CCC2C(C1)O2	PC-id_101559737	374.546	GQBFFNDMZOBEJR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150461
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CC(C(=O)N[C@]12CN(C[C@H]1C2)C(C)C)CN1CC2C(C1)C2NC(=O)C(C)C	PC-id_139538315,SCHEMBL21413654	376.536	XYBXFAVIWQTTTR-AXJHZXMISA-N	00100010000000000000010000000000000000000000000000000000	22-01-150911
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OC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@@H](NC(=O)NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C(C)(C)C	PC-id_57386226	376.538	ODCGBMOBUUHGRG-PBXRENPXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150913
COc1ccc(cc1)CN1CC2C(C1)C2COCCCN1CCSCC1	SCHEMBL5792936,PC-id_69567649	376.556	FHQUVYVINQJWQQ-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-150914
[Si](OCC1=C(C(=O)C2(OC2C1=O)CC=C(C)C)C=CC)(C(C)(C)C)(C)C	PC-id_72762368	376.562	JBOTUAMPWMJFMK-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-150915
[Si](OCC1=C(C(=O)[C@]2(O[C@H]2C1=O)CC=C(C)C)/C=C/C)(C(C)(C)C)(C)C	PC-id_11234254	376.562	JBOTUAMPWMJFMK-OQTBQRIBSA-N	00100000000011000000010000000000000000000000000000000000	22-01-150916
C#C[C@]12O[C@@H](C[C@H]1C2)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_138973464	376.563	QMHTVXPLPARKFZ-MZLICYQSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150917
CC1(CC1COCC1CCC2(C(C1)O2)C)CC1CC1(C)CCC1OC1(C)C	PC-id_143374618	376.573	GULYXJWGGPSPGG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150918
CC1CCC(C(C1)C(=C)OCC(COC(=O)C1CC2CC2CC1C)(C)C)C	PC-id_143221211	376.573	RDKYYXHFKIFQTO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150919
CC1CCC/C(=C[C@H](C)CC2C(C(=O)CC(C(C(=O)C(C1)C)(C)C)O)C2)/C	PC-id_142247870	376.573	REXNLNSOVVOMKQ-OWCIUBOLSA-N	00100000000000000110010000000000000000000000000000000000	22-01-150920
CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H]2C(CNC(=O)C(C)(C)CC(C)(C)C)[C@@H]2C1	ZINC22_2325793668	376.576	CSTOWPGMSDKLBS-FPAYPSAMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150921
CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C(CNC(=O)C(C)(C)CC(C)(C)C)[C@H]2C1	ZINC22_2325793670	376.576	CSTOWPGMSDKLBS-PSBWJHGTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150922
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O=NC(C1CCCC2(CNC3CCCCCCCC3)C(CCCC1)C2=O)C	SCHEMBL18431109	376.576	BDLOBTIGEYTPDA-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-150924
S1C2C1CCC(C2)COC(OCC1CC2SC2CC1)c1ccccc1	PC-id_21053249	376.576	OEXYMFUXVNSMIO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-150925
CCN(C(=C)c1ccc(cc1)C)C1CCN(CC1)C(C1=C(C)C2=C(CC1)C2)C	PC-id_143623072	376.577	CKPWZPMKGOZHQR-UHFFFAOYSA-N	00110000000011110000010000000000000000000000000000000000	22-01-150926
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S1[C@H]2[C@@H]1[C@H](O[C@H](OC(C)C)[C@@H]2O[Si](C(C)(C)C)(C)C)COC(=O)C	PC-id_56958709	376.583	AVPQIOHAGCOYFJ-LJIZCISZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150929
COC1C(F)CN(C1SCC1C2CC2C(N1C(C)C)SC)C(C)C	PC-id_138601915,SCHEMBL20963373	376.596	YZQQJAKJEQTXKD-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150930
Cc1scc(n1)C=CC1CNCCCCCCCCCCCC2C1(C)O2	PC-id_141056202	376.599	OHEUDOJNCHAETL-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-150931
CC(CC1CC2C(C1(C)C)(C2)C)OCCCOCCC1CCC2(C(C1)C2)C	PC-id_143428416	376.616	LNZXVWHTMHIAHF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150932
O=C(C1CCCCCC(CCC1)[C@H](N)C)NC1CCCCCCCC2C1C2	SCHEMBL18947187	376.619	DBCARDYYCQRJCW-AUKVLGKPSA-N	00100000000000000100010000000000000000000000000000000000	22-01-150933
S(C(=S)OC[C@@]12OC(C[C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1C2)(C)C)C	PC-id_11728532	376.65	IETBROJSTMMVKC-GDZNZVCISA-N	00100000000010000000010000000000000000000000000000000000	22-01-150934
S(C(=S)OCC12OC(CC(O[Si](C(C)(C)C)(C)C)C1C2)(C)C)C	PC-id_73075911	376.65	IETBROJSTMMVKC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150935
CCCC(C(C1CC(C)C2C(C1)(C)C2)CCC1(C)CC1C(CC)C)OCC	PC-id_143264141	376.659	OYGPKXPQKXUIGI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150936
CC(C1CCCN1C(C)(C)C)(CC1C2C1N(C(C2)C(C)(C)C)C(C)(C)C)C	SCHEMBL18649262	376.662	PXYOSEBXZWVNKS-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150937
CC(C1CCCN1C(C)(C)C)(C[C@H]1C2C1N(C(C2)C(C)(C)C)C(C)(C)C)C	PC-id_134200328,SCHEMBL19804053	376.662	PXYOSEBXZWVNKS-ANSLWWGBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150938
CC(N1CCCC1C(C)(C)C)(CCC(C1C2CC2CN1C(C)(C)C)(C)C)C	SCHEMBL18596265	376.662	AQFSPGAWKKUJEU-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150939
O=C(C1C2OC2CN1C(=O)O)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL18549642	376.766	MTDAHTFONZRHSN-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-150940
O=C(c1cc(Cl)c(cc1F)OCC1C[C@@H]2[C@H](C1)C2(F)F)OC(C)(C)C	PC-id_117860194	376.798	CSCNMXJXLOTIRQ-CLYYMRHHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150941
O=C(c1cc(Cl)c(cc1F)OC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)OC(C)(C)C	SCHEMBL16448680	376.798	CSCNMXJXLOTIRQ-YHPBZONMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-150942
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Clc1c(F)cc(CN(CC2[C@@H]3[C@H]2CN(C3)C)C(=O)c2ncn(c2)C)cc1	BindingDB_PC-id_76335969,PC-id_76335969	376.856	VLRZGIHSKGUGTB-YIONKMFJSA-N	00100010100000110001010000000000000000000000000000000000	22-01-150946
CN1CC2C(CN(C(=O)c3ncn(C)c3)Cc3ccc(F)c(Cl)c3)C2C1	PC-id_56657376,MCULE-3052611696,SCHEMBL711552	376.856	KYLOBHXXQOZRKK-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-150947
CN1C[C@H]2C(CN(Cc3ccc(F)c(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1	BindingDB_PC-id_44156901,PC-id_44156901,EMOLS-id_337173231,GRAC-id_9057,PD046728	376.856	KYLOBHXXQOZRKK-YIONKMFJSA-N	00100010100000110001010000000000000000000000000000000000	22-01-150948
COc1ccccc1CN1NC(=C(C2C1O2)Sc1ccccc1Cl)O	PC-id_145282711	376.857	JPEOCVIXUAMSRR-UHFFFAOYSA-N	00100000000011110001010000000000000000000000000000000000	22-01-150949
c1(ncn(c1)C)C(=O)N(C[C@H]1[C@@H]2CN(C[C@H]12)C)Cc1cc(c(cc1)F)Cl	ZINC22_101270900,CHEMBL563251,PD058747,DB11993,TT-id_D0O0BM,EMOLS-id_303606208,MCULE-7964263341	376.86	KYLOBHXXQOZRKK-FICVDOATSA-N	00100010100000110001010000000000000000000000000000000000	22-01-150950
BrC(Br)(Br)C1OC(=O)C2C(C12)(C)C	SCHEMBL11006878,PC-id_12525225	376.868	ASKVAQUVJBPTBK-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150951
BrC(Br)(Br)C1OC(=O)[C@H]2C([C@@H]12)(C)C	PC-id_10872517	376.868	ASKVAQUVJBPTBK-OVEKKEMJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150952
BrC(Br)(Br)[C@@H]1OC(=O)C2C(C12)(C)C	PC-id_18610609,SCHEMBL10742450	376.868	ASKVAQUVJBPTBK-ZAGMFXPOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150953
BrC(Br)(Br)[C@@H]1OC(=O)[C@H]2C([C@@H]12)(C)C	PC-id_12525226	376.868	ASKVAQUVJBPTBK-MROZADKFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150954
BrC(Br)(Br)[C@H]1OC(=O)[C@H]2C([C@@H]12)(C)C	PC-id_57005246	376.868	ASKVAQUVJBPTBK-WISUUJSJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-150955
CC1(CC1C(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl)C	PC-id_137400278,SCHEMBL20631983	376.877	FFNCQYRIAFLLEU-LSSJBHJESA-N	00100010000010110000010000000000000000000000000000000000	22-01-150956
CC(C)(C)OC(=O)N1C2CC2CC1C(=O)NC1CC1c1ccccc1Cl	PC-id_90019566	376.877	WEQJMJAQFFLUNH-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-150957
COc1cccc(c1)N1CCC(C1=O)N(C(=O)C1(Cl)C2C1CCCC2)C	PC-id_140312205	376.877	DLLKNAICRJJEHR-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-150958
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O=C([C@@H]1C[C@H]2C(N1C(=O)OC(C)(C)C)C2)N[C@@H]1C[C@H]1c1ccccc1Cl	SCHEMBL15542128	376.877	WEQJMJAQFFLUNH-JAGJVTGASA-N	00100010000000110000110000000000000000000000000000000000	22-01-150962
O=C(N(c1ccccc1Cl)C1CC1)[C@@H]1C[C@@H]2[C@H](N1C(=O)OC(C)(C)C)C2	PC-id_118073398,SCHEMBL16714320	376.877	HRQLSNHBCCUIJP-JLZZUVOBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-150963
Br[C@H]1C[C@@]2(C)C([C@]2(C[C@@H]1O)C)(Br)Br	PC-id_100895585	376.911	UNNVKMAHOLSSIG-HSNKUXOKSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150964
Br[C@@H]1C[C@]2(C)C([C@@]2(C[C@@H]1O)C)(Br)Br	PC-id_94035108	376.911	UNNVKMAHOLSSIG-VGRMVHKJSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150965
Br[C@@H]1C[C@]2(C)C([C@@]2(C[C@H]1O)C)(Br)Br	PC-id_94035109	376.911	UNNVKMAHOLSSIG-OOJXKGFFSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150966
Br[C@@H]1C[C@]2(C)C([C@]2(C[C@@H]1O)C)(Br)Br	PC-id_98557394	376.911	UNNVKMAHOLSSIG-KVPKETBZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150967
Br[C@@H]1C[C@]2(C)C([C@]2(C[C@H]1O)C)(Br)Br	PC-id_98557395	376.911	UNNVKMAHOLSSIG-NGJRWZKOSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150968
Br[C@@H]1C[C@@]2(C)C([C@]2(C[C@@H]1O)C)(Br)Br	PC-id_99956949	376.911	UNNVKMAHOLSSIG-CWKFCGSDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150969
C12(C(Br)(Br)C1(C)CC(Br)C(O)C2)C	TIMTEC482242,MCULE-3261874627,PC-id_24213077	376.911	UNNVKMAHOLSSIG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150970
C[SiH](C1([SiH](C)C)[Si]2([Si]1(C2([SiH](C)C)[SiH](C)C)(C)C)(C)C)C	4105210_OpenMolecule	376.98	RPAUFYMGOFMKLX-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-150971
C#CNC1[C@H]2[C@@H]1CN(C2)C(=O)C3=CSC(=N3)C4=C(C=C(C=C4)Cl)Cl	PC-id_165059441	377.016	ACXVKSSBCBPFHJ-ODOQXGPZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-150972
ClC1C2C1CCC(C2CCCC=CCCC=CCC)CCCC=CCC	PC-id_20665865	377.046	AZWDNFHPFXOHBF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-150973
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C1[C@H](N([C@H]2[C@@]1(C2)Cn1cc(cn1)I)C(=O)O)C(=O)O	SCHEMBL20488519,PC-id_135318674	377.135	FKRKXXHCWWQSTA-RNSXUZJQSA-N	00100010100000000001010000000000000000000000000000000000	22-01-150977
C1[C@H](N([C@H]2[C@@]1(C2)Cn1ccc(n1)I)C(=O)O)C(=O)O	SCHEMBL20489083,PC-id_135319172	377.135	ZPZYOFRDGPCFFO-CVJICSNFSA-N	00100010100000000001010000000000000000000000000000000000	22-01-150978
CCCC(C)[I-]CC1(CCC2C1[C@H]2C)CCCN=N	PC-id_163702918	377.146	KUIVVHQSBOGAMY-KHXRNHLQSA-N	00100010000010000000010000000000000000000000000000000000	22-01-150979
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CS(=O)N1CCN(CC1)CCOCC1C2C1CN(C2)Cc1ccccc1	SCHEMBL5794102,PC-id_69568171	377.544	XEYUMMPPFTYVRU-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-151143
CCCCCNc1nc(c(c(n1)NC1(CCC2C1(C2O)C)C)C(=S)N)C	PC-id_91451838	377.547	BWRZXIDOBUOZNU-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-151144
[Si](OC[C@H](N1C(=O)[C@@]2(O[C@@H]2CC1)CO)c1ccccc1)(C(C)(C)C)(C)C	PC-id_62706111	377.55	NCBKVSPJOOZZAG-SQGPQFPESA-N	00100000000010110000010000000000000000000000000000000000	22-01-151145
[Si](OC[C@H](N1C(=O)[C@]2(O[C@H]2CC1)CO)c1ccccc1)(C(C)(C)C)(C)C	PC-id_62706112	377.55	NCBKVSPJOOZZAG-ZWOKBUDYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151146
[Si](OCC(N1C(=O)C2(OC2CC1)CO)c1ccccc1)(C(C)(C)C)(C)C	PC-id_76955010	377.55	NCBKVSPJOOZZAG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151147
CCOC(=O)C1C2C1CN(C2)CCOC1CCC(CC1)CC1CCCCC1	PC-id_140449831	377.561	CVVXVUKXMNKDCS-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-151148
CCc1ccc(cc1)CN1CC2C(C1)C2CNc1ccc(cc1)N(CC)CC	PC-id_69037370,SCHEMBL4421593	377.565	VJUAKHAFKWLILL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151149
CN=C/C=CC(CC1CC(C2(C1N2CCCc1ccccc1N)C)C)C#CC	PC-id_144539641	377.565	CTKZNVODGBFUDX-BKWREXGRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151150
Cc1nc(cs1)C=C(C)C12CCCCCCCCCCCOCCC1O2	PC-id_88088922,SCHEMBL7092122	377.584	XTGDJKPHNSYRRY-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-151151
Cc1nc(cs1)C=C(C)C12CCOCCCCCCCCCCCC1O2	PC-id_91271421	377.584	YCIADIVLFCZCIC-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-151152
Cc1scc(n1)/C=C(/C12CCOCCCCCCCCCCCC1O2)C	PC-id_141306885	377.584	YCIADIVLFCZCIC-FBMGVBCBSA-N	00100000100000000101010000000000000000000000000000000000	22-01-151153
Cc1scc(n1)C=CC1OCCCCCCCCCCCC2C(C1)(C)O2	PC-id_141104273	377.584	YUGMJCJCDNKDOV-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-151154
OC([Si](C(C)(C)C)(C)C)[C@H]1N(Cc2ccccc2)C[C@@]2([C@@]1(O)C2(C)C)O	PC-id_70285673,SCHEMBL8139182	377.593	CZCQFGJCCVNNGF-IZBPLUDHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151155
[Si](C(O)C1N(CC2(O)C1(O)C2(C)C)Cc1ccccc1)(C(C)(C)C)(C)C	PC-id_77811475	377.593	CZCQFGJCCVNNGF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151156
CCCCCCCCCCCCCCCCCCC12C=CC=CC1(S2)O	PC-id_154087876	378.296	JSGINBPBKJWIHS-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-151259
CC([Si](c1ccccc1)(c1ccccc1)OCC1NC[C@H]2[C@@H](C1)C2=C)(C)C	PC-id_144077832	377.595	QTLCURHRGYMTDJ-NWZLQDFTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151157
C1CCCCCC(CCCC1)C(=O)N(C1C2C1CCCCCCCCC2)O	PC-id_135197511,SCHEMBL20350840	377.604	UZUDEAHPPQLOOM-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-151158
O=C(C12CCCC(C1N2O[Si](C)(C)C)O[Si](C)(C)C)c1ccccc1	PC-id_101221335	377.625	KRYKVHHYCDDQHU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151159
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1c(Cl)ccc(c1)C(F)(F)F	EMOLS-id_317363566,PC-id_135098056,MCULE-4808812355,ZINC22_1704309221	377.7	KWHWHORTGLEHOV-OKILXGFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151160
Brc1cc(Cc2ccc(OC3CC4C(C4)C3)cc2)c(Cl)cc1	PC-id_71498900,SCHEMBL15705893	377.703	NFFJKNGEJYSQRL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151161
Brc1ccc(c(c1)Cc1ccc(cc1)OC1CC2[C@@H](C1)C2)Cl	PC-id_118214147	377.703	NFFJKNGEJYSQRL-WRSVWVKZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151162
Brc1ccc(c(c1)Cc1ccc(cc1)OC1C[C@@H]2[C@H](C1)C2)Cl	SCHEMBL16871887,PC-id_118205160	377.703	NFFJKNGEJYSQRL-UUVAVEHKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151163
Brc1ccc(c(c1)Cc1ccc(cc1)O[C@@H]1CC2[C@@H](C1)C2)Cl	SCHEMBL16882629	377.703	NFFJKNGEJYSQRL-RFQFSVLTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151164
Brc1ccc(c(c1)Cc1ccc(cc1)O[C@@H]1C[C@H]2[C@@H](C1)C2)Cl	SCHEMBL16871886	377.703	NFFJKNGEJYSQRL-UOIKSKOESA-N	00100010000010110000010000000000000000000000000000000000	22-01-151165
Brc1ccc(c(c1)Cc1ccc(cc1)O[C@@H]1C[C@@H]2[C@H](C1)C2)Cl	SCHEMBL16871899	377.703	NFFJKNGEJYSQRL-ZSBFGKGUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151166
Clc1c(CC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)cc(cc1)C(F)(F)F	PC-id_67685364,SCHEMBL8764704	377.743	ZXESNCOKSPMWHI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151167
C1C2C1CN(C2)S(=O)(=O)c1cc(c(cc1)c1nc(c(cc1)F)C#N)Cl	PC-id_134367288,SCHEMBL19994993	377.82	IUEIZPNTGHTBNJ-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-151168
C1CC(NC1)C(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	SCHEMBL20631986,PC-id_137400281	377.865	CZWPHUTUDVGASW-LSSJBHJESA-N	00100010000010110000010000000000000000000000000000000000	22-01-151169
Clc1ccc(c(c1)NC(=O)C1CCN(CC1)C(=O)NC1CC2C(C1)C2)O	EMOLS-id_102211117	377.865	UOGQLJDUABGGKN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151170
CC(C1[C@@H]2C1(C=CC=C2)C(O)(Cl)Cl)(Cl)I	PC-id_163757452	377.884	LVHCBKCFKDBFMJ-LJSVPSOQSA-N	00100000000011000000010000000000000000000000000000000000	22-01-151171
Cc1sc([C@H](C)NC(=O)N2CCO[C@@H]3C[C@@H]23)nc1c1ccc(Cl)cc1	ZINC22_644189126	377.888	FWSFAANCPZAPTN-COLVAYQJSA-N	00100000100010110001110000000000000000000000000000000000	22-01-151172
Cc1sc([C@H](C)NC(=O)N2CCO[C@H]3C[C@H]23)nc1c1ccc(Cl)cc1	ZINC22_644189127	377.888	FWSFAANCPZAPTN-LKTVYLICSA-N	00100000100010110001110000000000000000000000000000000000	22-01-151173
Cc1sc([C@H](C)NC(=O)N2CCO[C@@H]3C[C@H]23)nc1c1ccc(Cl)cc1	ZINC22_644189128	377.888	FWSFAANCPZAPTN-NZVBXONLSA-N	00100000100010110001110000000000000000000000000000000000	22-01-151174
Cc1sc([C@H](C)NC(=O)N2CCO[C@H]3C[C@@H]23)nc1c1ccc(Cl)cc1	ZINC22_644189129	377.888	FWSFAANCPZAPTN-VQISRLSMSA-N	00100000100010110001110000000000000000000000000000000000	22-01-151175
CCOc1sc(c(n1)C(=O)N1[C@H](CN)C[C@H]2[C@@H]1C2)c1cccc(c1)Cl	PC-id_67081668,SCHEMBL1572661	377.888	AMOPHHLULNPGDP-XBFCOCLRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-151176
Clc1cc(c2sc(OCC)nc2C(=O)N2C3C(C3)CC2CN)ccc1	PC-id_77223088	377.888	AMOPHHLULNPGDP-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-151177
Clc1ccc(cc1)c1nc(sc1C)C(NC(=O)N1CCOC2C1C2)C	MCULE-4502359837,PC-id_145894895,EMOLS-id_324065812	377.888	FWSFAANCPZAPTN-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-151178
CC1(C2C1CN(C2)S(=O)(=O)c1c(ccc(c1)Cl)CS(=O)(=O)C)C	EMOLS-id_110750289,PC-id_136520392,MCULE-5964623906	377.907	SYMKDEHVWDMCEB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151179
CC1(C)[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3CS(=O)(=O)C)C[C@@H]12	ZINC22_408100543	377.907	SYMKDEHVWDMCEB-BETUJISGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151180
CC1(C)[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3CS(=O)(=O)C)C[C@@H]12	ZINC22_408100679	377.907	SYMKDEHVWDMCEB-CHWSQXEVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151181
CC1(C)[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3CS(=O)(=O)C)C[C@H]12	ZINC22_408100681	377.907	SYMKDEHVWDMCEB-STQMWFEESA-N	00100010000000110000010000000000000000000000000000000000	22-01-151182
C1C2C1CN(C2)S(=O)(=O)NC3=C(C(=NC=N3)OCCO)Br	PC-id_155172001	378	GBPJXRYZVSFKOJ-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-151183
C1[C@@H]2C1CN(C2)S(=O)(=O)NC3=C(C(=NC=N3)OCCO)Br	PC-id_155172005	378	GBPJXRYZVSFKOJ-JAMMHHFISA-N	00100010000000100001010000000000000000000000000000000000	22-01-151184
C1[C@H]2[C@@H]1CN(C2)S(=O)(=O)NC3=C(C(=NC=N3)OCCO)Br	PC-id_155097215	378	GBPJXRYZVSFKOJ-OCAPTIKFSA-N	00100010000000100001010000000000000000000000000000000000	22-01-151185
C1[C@@H]2[C@@H](C2NC#N)CN1C(=O)C3=CSC(=N3)C4=C(C=C(C=C4)Cl)Cl	PC-id_165030149	378.011	MNEBQUQTCQYLQL-BVUQATHDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-151186
CC1=C(C(=O)C[C@@H]1OC1C2C(C2(C)C)C(O1)C(Cl)(Cl)Cl)CC=C	PC-id_163790402	378.056	MWFCHTLXBHPBPQ-DYQPHDICSA-N	00100011000000000000010000000000000000000000000000000000	22-01-151187
COc1cc(F)c(cc1C(C1C2C1CCC2)Br)Br	PC-id_103396595	378.075	NPZSXSCUDVFNLK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151188
COc1cc(F)c(cc1C(C1CC2C(C1)C2)Br)Br	PC-id_103396537	378.075	JTNJHICCRBRCHN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151189
CN(C)CC12CC(NC1C2)C(=O)NC3=C(C=CC(=N3)Br)C4CC4	PC-id_153456698	378.106	BRBJLXAMEJXVIO-UHFFFAOYSA-N	00100010000000101000110000000000000000000000000000000000	22-01-151190
CSc1ccc(cc1)S(=O)(=O)CC1CC[C@H]2CC2C1C(=O)NCC#N	PC-id_164176368	378.107	ZZXTWMVLZPKOBE-CFPDSQRESA-N	00100000000010110000010000000000000000000000000000000000	22-01-151191
BrC(C1C2C1CCCC2)c1c(Cl)cc(OCC)c(Cl)c1	PC-id_81835876	378.131	AWXBKFZHAXZRIO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151192
CC(C)C(C1(CCC2[C@@](C1=O)(C2(C)C)OC3=CC=C(C=C3)C(=O)O)C)Cl	PC-id_149717078	378.16	AWJQOYVLRGUOJX-FFBSWEHISA-N	00100000000010110000010000000000000000000000000000000000	22-01-151193
CNC(=O)C1=CC(=CC(=N1)CC2=CC=CC=C2)C(=O)NC3C4C3CN(C4)C=O	PC-id_155238140	378.169	DCOVGWJNPBURQX-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-151194
C1C[C@@H]2[C@@H](C2COC(=O)N[C@@H](CCC(=O)N)C(=O)CCC(=O)O)CCC#C1	PC-id_146817209	378.179	SBIIBBGGRSJCBO-IXXDHKBRSA-N	00100000000000000110010000000000000000000000000000000000	22-01-151195
CC1CC(=O)N(C1=O)CC1CCC(CC1)CC(=O)ON1C2C(O2)CCC1=O	PC-id_163647054	378.179	IJCYGQZLJXXJOE-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-151196
C1C2C(C2(C(=O)O)F)C(C1OCc1cc(c(cc1)Cl)Cl)(C(=O)O)N	PC-id_91249161	378.18	LFAGGDAZZKUVKO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151197
C1C(C(C2(C1C2(C(=O)O)F)N)C(=O)O)OCc1cc(c(cc1)Cl)Cl	PC-id_91232726	378.18	LXDFOYMFJHBXFG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151198
c1cc(c(cc1CO[C@@H]1[C@H]([C@H]2[C@@H]([C@H]2[C@@]1(C(=O)O)N)C(=O)O)F)Cl)Cl	PC-id_134155683,BindingDB_PC-id_134155683	378.18	UDWSIQSDTWFRQU-ANYOLZDRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151199
C1[C@H](C(C2C1[C@@]2(C(=O)O)F)(C(=O)O)N)OCc1cc(c(cc1)Cl)Cl	PC-id_137326708	378.18	LFAGGDAZZKUVKO-QSTOERANSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151200
[C@@H]12[C@]([C@@H]1C[C@H]([C@]2(C(=O)O)N)OCc1cc(cc(c1)Cl)Cl)(C(=O)O)F	PC-id_11451742,BindingDB_PC-id_11451742,CHEMBL363980	378.18	DHRMNPAJAIZSGW-ZNLHFFCSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151201
Clc1cc(COC2C3C(C3(F)C(=O)O)C(N)(C2)C(=O)O)ccc1Cl	PC-id_85128194	378.18	DZCMXEDMSFZHFQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151202
Clc1cc(COC2C(N)(C3C([C@@]3(F)C(=O)O)C2)C(=O)O)ccc1Cl	PC-id_49824254	378.18	LFAGGDAZZKUVKO-YTBQCFKLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151203
Clc1cc(COC2C(N)(C3C([C@]3(F)C(=O)O)C2)C(=O)O)cc(Cl)c1	PC-id_49823797	378.18	DHRMNPAJAIZSGW-ZPZKJRJUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151204
Clc1cc(COC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)cc(Cl)c1	PC-id_72966800	378.18	DHRMNPAJAIZSGW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151205
Clc1cc(CO[C@@H]2[C@@H]3[C@@H]([C@@]3(F)C(=O)O)[C@@](N)(C2)C(=O)O)ccc1Cl	PC-id_10384968	378.18	DZCMXEDMSFZHFQ-MTLGCJRHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151206
Clc1cc(CO[C@H]2[C@](N)(C3C([C@]3(F)C(=O)O)C2)C(=O)O)ccc1Cl	PC-id_10407280	378.18	LFAGGDAZZKUVKO-RJORIUDMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151207
Clc1c(COC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)cccc1Cl	PC-id_85428913	378.18	HJAGDJXFCQXTFE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151208
Clc1c(COC2C(N)(C3C([C@]3(F)C(=O)O)C2)C(=O)O)ccc(Cl)c1	PC-id_49823788	378.18	QJWWGXLPGFOGNJ-QZAWBWADSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151209
Clc1c(COC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)ccc(Cl)c1	PC-id_72980007	378.18	QJWWGXLPGFOGNJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151210
Clc1c(COC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)cc(Cl)cc1	PC-id_85428912	378.18	OTFAVLWPASEDDS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151211
Clc1c(COC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)c(Cl)ccc1	PC-id_72777078	378.18	VZBCPNCHMOSDRD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151212
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(=O)O)C(=O)O	GRAC-id_1397,BindingDB_PC-id_9886034,SCHEMBL234576,EMOLS-id_337879425,PC-id_9886034,CHEMBL186453,TT-id_D0T3DG,PD051667	378.18	LFAGGDAZZKUVKO-JAGWWQSPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151213
N[C@@]1(C(=O)O)[C@H](OCc2cccc(Cl)c2Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	PC-id_11188099,CHEMBL186107,BindingDB_PC-id_11188099	378.18	HJAGDJXFCQXTFE-WJRHDCNNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151214
N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)cc2Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	CHEMBL442967,BindingDB_PC-id_11485742,PC-id_11485742	378.18	QJWWGXLPGFOGNJ-YUVXLREMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151215
N[C@]1(C(=O)O)[C@@H](OCc2ccc(Cl)c(Cl)c2)C[C@H]2[C@@H]1[C@]2(F)C(=O)O	CHEMBL185641,BindingDB_PC-id_11383349,PC-id_11383349	378.18	LFAGGDAZZKUVKO-PCBAKXGKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151216
N[C@@]1(C(=O)O)[C@@H](OCc2ccc(Cl)c(Cl)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	CHEMBL359973,PC-id_11164815,BindingDB_PC-id_11164815	378.18	LFAGGDAZZKUVKO-AEHLDWDTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151217
N[C@@]1(C(=O)O)[C@H](OCc2cc(Cl)ccc2Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	CHEMBL361024,BindingDB_PC-id_11188098,PC-id_11188098	378.18	OTFAVLWPASEDDS-YUVXLREMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151218
N[C@@]1(C(=O)O)[C@H](OCc2c(Cl)cccc2Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	BindingDB_PC-id_11268934,PC-id_11268934,CHEMBL187482	378.18	VZBCPNCHMOSDRD-JAGWWQSPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151219
OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@@H]1[C@@]2(F)C(=O)O	PC-id_140008946	378.18	LFAGGDAZZKUVKO-AFSJMEKNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151220
OC(=O)[C@]1(N)C(OCc2ccc(c(c2)Cl)Cl)CC2C1[C@]2(F)C(=O)O	PC-id_146159230	378.18	LFAGGDAZZKUVKO-WSSHDRGESA-N	00100010000010110000010000000000000000000000000000000000	22-01-151221
Clc1c(S(=O)(=O)N2C(C3C(C3)C2)C(=O)[O-])cc(c(Cl)c1)C(=O)[O-]	PC-id_73132122	378.185	MGFHIQBDBPZGMV-UHFFFAOYSA-L	00100010000000110000010000000000000000000000000000000000	22-01-151222
Clc1c(S(=O)(=O)N2[C@H]([C@@H]3[C@@H](C3)C2)C(=O)[O-])cc(c(Cl)c1)C(=O)[O-]	PC-id_11877977	378.185	MGFHIQBDBPZGMV-ZJXQECPTSA-L	00100010000000110000010000000000000000000000000000000000	22-01-151223
Clc1c(S(=O)(=O)N2[C@@H]([C@H]3[C@H](C3)C2)C(=O)[O-])cc(c(Cl)c1)C(=O)[O-]	PC-id_25765461	378.185	MGFHIQBDBPZGMV-VCGAMNKESA-L	00100010000000110000010000000000000000000000000000000000	22-01-151224
Clc1c(S(=O)(=O)N2[C@H]([C@H]3[C@H](C3)C2)C(=O)[O-])cc(c(Cl)c1)C(=O)[O-]	PC-id_25765464	378.185	MGFHIQBDBPZGMV-WHHMAUIRSA-L	00100010000000110000010000000000000000000000000000000000	22-01-151225
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CCCOC(C(=O)N(CC1C2C1CNC2)C)(c1ccccc1)c1ccccc1	PC-id_16039090,SCHEMBL4619797	378.507	HGLOGUZEWMBJEG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151462
CCN(C(=O)c1ccc(c(c1)O)/C(=C/C1CCCNC1)/C1[C@H]2C1=CC=C2)CC	SCHEMBL16315402,PC-id_117757062	378.507	GSZPIPJALKAIOV-HRZZDPDLSA-N	00100011000010110000010000000000000000000000000000000000	22-01-151463
O=C(NCC1C2[C@H]1CN(C2)Cc1ccccc1)C(O)(C(C)C)c1ccccc1	PC-id_69437634	378.507	RJVRDCZLDGMLCT-NCFYSZOTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151464
OC(=O)N1CC2C(C1)(C2N(Cc1ccccc1)Cc1ccccc1)C(C)(C)C	PC-id_69368047,SCHEMBL5242458	378.507	GNBGCBCVMLGDKR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151465
O(C(=O)N1CC2(N(Cc3ccccc3)Cc3ccccc3)C(C2)C1)C(C)(C)C	PC-id_85375241	378.507	WAWJHMVJLUTPEA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151466
O(C(=O)N1C[C@]2(N(Cc3ccccc3)Cc3ccccc3)[C@@H](C2)C1)C(C)(C)C	PC-id_11036233	378.507	WAWJHMVJLUTPEA-URXFXBBRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151467
O(C(=O)N1C[C@H]2[C@H](C2N(Cc2ccccc2)Cc2ccccc2)C1)C(C)(C)C	PC-id_56924160	378.507	XAJYRABZEDHMCO-CBQGHPETSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151468
Cc1ccc(cc1)N(c1ccc(cc1)N(c1ccccc1)C)C1=CC2C(C=C1)C2	PC-id_68359559,SCHEMBL12700579	378.509	IHKYVSBPKVQIFE-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-151469
CNC(=O)NCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	ZINC22_1875341939	378.509	PTOUPHCCGACNEH-HHARLNAUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151470
CNC(=O)NCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	ZINC22_1875341940	378.509	PTOUPHCCGACNEH-SMLCLMEVSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151471
CNC(=O)NCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1	ZINC22_1875341941	378.509	PTOUPHCCGACNEH-VIQHNZTISA-N	00100000000010000000010000000000000000000000000000000000	22-01-151472
CNC(=O)NCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	ZINC22_1875341942	378.509	PTOUPHCCGACNEH-WRQOLXDDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151473
CSc1ccc(cc1)S(=O)(=O)CC1CCC2C(C1C(=O)NCC#N)C2	SCHEMBL8360093,PC-id_87700263	378.509	ZZXTWMVLZPKOBE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151474
CSc1ccc(cc1)S(=O)(=O)CC1CC[C@H]2[C@H](C1C(=O)NCC#N)C2	SCHEMBL4613409	378.509	ZZXTWMVLZPKOBE-AMNYIGESSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151475
N1(CC2C(C2CC(c2ccccc2)(c2ccccc2)C#N)C1)Cc1ccccc1	SCHEMBL4756508,PC-id_24947678	378.509	MOOANDBCINEXBT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151476
S(=O)(=O)(CC1CC2C(C2)CC1C(=O)NCC#N)c1ccc(SC)cc1	PC-id_85331069	378.509	BTFGSFIYLBAYIB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151477
S(=O)(=O)(C[C@@H]1CC2C(C2)C[C@H]1C(=O)NCC#N)c1ccc(SC)cc1	PC-id_10156531	378.509	BTFGSFIYLBAYIB-TXBNBULBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151478
C1(C(=O)N2CCN(CC2)C(c2ccccc2)c2nccn2C)C2C1CCCC2	EMOLS-id_24888966,SYN-20113377,PC-id_46972607,MCULE-7494700523	378.51	JFRLQSQXHVUTRT-UHFFFAOYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-151479
Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1	PC-id_98138341,ZINC22_100773496	378.51	JFRLQSQXHVUTRT-ZJOUEHCJSA-N	00100000100010110001010000000000000000000000000000000000	22-01-151480
Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1	ZINC22_248117905	378.51	JFRLQSQXHVUTRT-SBHAEUEKSA-N	00100000100010110001010000000000000000000000000000000000	22-01-151481
Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)CC1	ZINC22_248117899,CoCoCo_498619	378.51	JFRLQSQXHVUTRT-BQJUDKOJSA-N	00100000100010110001010000000000000000000000000000000000	22-01-151482
Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)CC1	ZINC22_248117902,CoCoCo_498618	378.51	JFRLQSQXHVUTRT-IVAOSVALSA-N	00100000100010110001010000000000000000000000000000000000	22-01-151483
O=C(C1[C@@H]2[C@H]1CCCC2)N1CCN(CC1)[C@H](c1nccn1C)c1ccccc1	PC-id_92567325	378.51	JFRLQSQXHVUTRT-JKWVGCSGSA-N	00100000100010110001010000000000000000000000000000000000	22-01-151484
O=C(C1[C@@H]2[C@H]1CCCC2)N1CCN(CC1)[C@@H](c1nccn1C)c1ccccc1	PC-id_92567326	378.51	JFRLQSQXHVUTRT-JGUMPVPUSA-N	00100000100010110001010000000000000000000000000000000000	22-01-151485
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N1CCN(CC1)[C@@H](c1nccn1C)c1ccccc1	CoCoCo_498620	378.51	JFRLQSQXHVUTRT-PLACYPQZSA-N	00100000100010110001010000000000000000000000000000000000	22-01-151486
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N1CCN(CC1)[C@H](c1nccn1C)c1ccccc1	CoCoCo_498621	378.51	JFRLQSQXHVUTRT-WOZUAGRISA-N	00100000100010110001010000000000000000000000000000000000	22-01-151487
O=[C-]C1=CCCC(=C1)[C@H](c1cccc(c1)O)CC12CC1C[C@H](N(C[C@@H]2C)C)C	PC-id_141822131	378.527	ZEESZSGBJMDDJH-UQKSTZNPSA-N	00100000000011110100010000000000000000000000000000000000	22-01-151488
S1CCN(CCCOCC2C3C2CN(C3)Cc2ccc(OO)cc2)CC1	PC-id_11703585	378.529	NFQBLGQFPUEYCL-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-151489
Brc1c(C(Cl)C2C3C2CCC3)cc(Br)c(c1)C	PC-id_81636819	378.53	FFQLOUVHUPEWNC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151490
Brc1c(C(Cl)C2C3C2CCCC3)cc(Br)cc1	PC-id_81643674	378.53	UBQPVQUDXLTSSE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151491
Brc1c(C(Cl)C2CC3C(C3)C2)cc(Br)c(c1)C	PC-id_81472842	378.53	ZLTHBMOVXHVIFO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151492
BrCC1(CC2C(C1)C2)Cc1ccc(cc1Cl)Br	PC-id_116079970	378.53	QIRXIICXWBQHRH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151493
CC(C)c1nc(CN(C)C[C@H]2[C@@H]3CN(C[C@H]23)C(=O)N2CCOCC2)cs1	ZINC22_102315657,MCULE-9025382343,EMOLS-id_43102961	378.532	WWZLHWYGBBQPDA-OSYLJGHBSA-N	00100010100010000001010000000000000000000000000000000000	22-01-151494
s1cc(nc1C(C)C)CN(CC1C2C1CN(C2)C(=O)N1CCOCC1)C	PC-id_76425591	378.532	WWZLHWYGBBQPDA-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-151495
s1cc(nc1C(C)C)CN(CC1[C@H]2[C@@H]1CN(C2)C(=O)N1CCOCC1)C	PC-id_56893254	378.532	WWZLHWYGBBQPDA-ALOPSCKCSA-N	00100010100010000001010000000000000000000000000000000000	22-01-151496
COCCO[Si](CCC1CCC2C(C1)O2)(OCCOC)OCCOC	PC-id_54256579,SCHEMBL10903582	378.533	RAMMEKJHCHYGEG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151497
COCCO[Si](OCC(C1CCC2C(C1)O2)OC)(OCCOC)CC	SCHEMBL10708389,PC-id_54418730	378.533	VZHACTQHJBNXTA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151498
CCCCCCCCCCCCCC=C1CC[C@@]([C@H]2[C@@H]1O2)(C)CCC(=O)O	SCHEMBL10360136	378.588	CTZXFPUBFJCZEZ-SMIHKQSGSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151540
COC(O[Si](OC(OC)C)(OC(OC)C)CCC1CCC2C(C1)O2)C	SCHEMBL10708394,PC-id_20226019	378.533	SOCBYUXIOXNTLD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151499
O[C@H]1C[C@@H]2[C@]([C@]1(C)O[Si](C(C)(C)C)(C)C)(O2)COC(=O)c1ccccc1	PC-id_102274266	378.535	AFXLTOXXBVELJB-LNKGRISISA-N	00100010000000110000010000000000000000000000000000000000	22-01-151500
CC1(CCC(CC1)CC(=C)CCCCCOC(=O)C1CCC2(C(C1)O2)C)O	SCHEMBL14534835,PC-id_89360623	378.545	VWUKIWOPXISIAR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151501
C=CCCC1CC(C)CCCC2(C)OC2CCOC(=O)CCC(C1=O)(C)C	PC-id_140512836	378.545	UHGMBVKWSIREPV-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-151502
CCCCCCCCC1OC1CCCCCCCC(=O)OC1=C2OC2CC1	PC-id_142768841	378.545	ALZPNMWSDPRLIJ-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-151503
O1C2(C1CCC(=CC(OC(=O)C)CC(OC)(C=CC(CC2)C(C)C)C)C)C	PC-id_78160615	378.545	QZKGTJRIDWIYSB-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-151504
O1[C@@]2([C@@H]1CC/C(=C/[C@H](OC(=O)C)C[C@@](OC)(/C=C/[C@@H](CC2)C(C)C)C)/C)C	PC-id_71727086	378.545	QZKGTJRIDWIYSB-WFCOBFGISA-N	00100000000000000110010000000000000000000000000000000000	22-01-151505
O1[C@@]2([C@H]1CC/C(=C/[C@H](OC(=O)C)C[C@@](OC)(/C=C/[C@@H](CC2)C(C)C)C)/C)C	PC-id_71812278	378.545	QZKGTJRIDWIYSB-UIWNSGSTSA-N	00100000000000000110010000000000000000000000000000000000	22-01-151506
O1[C@@]2([C@@H]1CCC(=C[C@@H](OC(=O)C)C[C@@](OC)(/C=C/[C@@H](CC2)C(C)C)C)C)C	PC-id_73352123	378.545	QZKGTJRIDWIYSB-NZKSDIOFSA-N	00100000000000000110010000000000000000000000000000000000	22-01-151507
C[C@H](CCC(C)(C)C)C(=O)NCC1(C)CCN(C(=O)[C@@H]2[C@H]3COC[C@@H]23)CC1	ZINC22_2325793871	378.549	KKFDJGUQXUGVGG-BDXSIMOUSA-N	00100010000010000000010000000000000000000000000000000000	22-01-151508
C[C@@H](CCC(C)(C)C)C(=O)NCC1(C)CCN(C(=O)[C@@H]2[C@H]3COC[C@@H]23)CC1	ZINC22_2325793872	378.549	KKFDJGUQXUGVGG-WNRNVDISSA-N	00100010000010000000010000000000000000000000000000000000	22-01-151509
OC(=O)C1N(CC2C1C2(C)C)C(=O)C(N(CCC(C)C)C)C1CCCCC1	PC-id_21016411	378.549	IQUBVBUWNYHYST-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-151510
OC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@@H](N(CCC(C)C)C)C1CCCCC1	PC-id_58606254	378.549	IQUBVBUWNYHYST-VJANTYMQSA-N	00100010000010000000010000000000000000000000000000000000	22-01-151511
S1C2(C1CC(CC2)C(OC(=O)c1ccc(OCC2SC2)cc1)(C)C)C	PC-id_21362928	378.549	CJHYUZLGNMHOIE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151512
S1C2(C1CC(CC2)C(SC(=O)c1ccc(OCC2OC2)cc1)(C)C)C	PC-id_21362929	378.549	QNVNUEAOLNPARN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151513
S(C(C1CC2OC2(CC1)C)(C)C)C(=O)c1ccc(OCC2SC2)cc1	PC-id_21362926	378.549	KCXYGOGWJGMZNE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151514
CCC(=O)N(C12C=CC=CC1C2)C(C1CCCN(C1)CCc1ccccc1)C	PC-id_142145889	378.55	NMTGLCUDPGYRGY-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-151515
CC12CC1CC(C2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C=O	PC-id_87909324	378.579	PCOJMYQMHJEYDV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151516
CCCC[Si](c1ccccc1)(c1ccccc1)OC1C(CC2C1(C2)C)C=O	PC-id_87355124	378.579	IANAUFMHJGORTC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151517
CCCC[Si](c1ccccc1)(c1ccccc1)OC1[C@H](C=O)CC2C1(C)C2	SCHEMBL2217905	378.579	IANAUFMHJGORTC-MSVAXVDCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151518
IC12C(C1)CCCC(C2)(C(=O)OCC)C(=O)OCC	PC-id_14940685	380.219	VKIQFNYOBRYHAZ-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-151864
CC(=O)C1C2C1CC(C2)O[Si](c1ccccc1)(C(C)(C)C)c1ccccc1	PC-id_118994180,EMOLS-id_71010547,MCULE-4192356035	378.579	KVOLWBLSZRFUOH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151519
O=C[C@@H]1CC2[C@]([C@@H]1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(C2)C	SCHEMBL5912496	378.579	PCOJMYQMHJEYDV-UZJHAZLTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151520
O=C[C@@H]1CC2[C@@]([C@H]1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(C2)C	SCHEMBL5912730	378.579	PCOJMYQMHJEYDV-JXVKTPKXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151521
O=C([C@H]1CC[C@@H]2[C@]1(C)C2)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	SCHEMBL5912500,PC-id_69604990	378.579	RDQKXQKRNZOFOI-VNZMSGEBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151522
[Si](OC1C(C2C(C2)(C1)C=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72988885	378.579	AOAPCXIVYWJTKY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151523
[Si](O[C@H]1[C@H]([C@H]2[C@](C2)(C1)C=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11509122	378.579	AOAPCXIVYWJTKY-YZZIRNTPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151524
[Si](O[C@@H]1[C@@H]([C@H]2[C@](C2)(C1)C=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11516417	378.579	AOAPCXIVYWJTKY-CMCISMSHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151525
[Si](O[C@H]1[C@H]([C@@H]2[C@@](C2)(C1)C=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11567048	378.579	AOAPCXIVYWJTKY-ZFIHGSKBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151526
[Si](O[C@H]1[C@@H]([C@H]2[C@](C2)(C1)C=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11603293	378.579	AOAPCXIVYWJTKY-JITXHHKSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151527
[Si](O[C@@H]1[C@H]([C@@H]2[C@@](C2)(C1)C=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11603294	378.579	AOAPCXIVYWJTKY-ASLXYRGWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151528
[Si](O[C@H]1[C@@H]([C@@H]2[C@@](C2)(C1)C=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11646567	378.579	AOAPCXIVYWJTKY-ZZSVKSCCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151529
[Si](O[C@@H]1[C@@H]([C@@H]2[C@@](C2)(C1)C=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11668008	378.579	AOAPCXIVYWJTKY-MWIHYIROSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151530
[Si](O[C@@H]1[C@H]([C@H]2[C@](C2)(C1)C=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11717823	378.579	AOAPCXIVYWJTKY-GDXZIDHASA-N	00100010000010110000010000000000000000000000000000000000	22-01-151531
[Si](OC(=O)C1C2(C(C2)CC1)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_77684515	378.579	RDQKXQKRNZOFOI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151532
CCC1CC(=O)CC(C)C(C)(C)C(=O)C(C)CC(CCCC2([C@H](C1)O2)C)C	PC-id_144283943	378.588	TTXTZVCEWOGQCU-BDMPHTFZSA-N	00100000000000000100010000000000000000000000000000000000	22-01-151533
CCCCC(CC1CCC2C(C1)O2)OC(CCCC)CC1CCC2C(C1)O2	PC-id_87897835,SCHEMBL5820806	378.588	YTBAYHRWYCNOOQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151534
CCCCCCCCCCCCCC=C1CCC(C2C1O2)(CC)CC(=O)O	PC-id_88599624	378.588	FINOHVZGCRATQX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151535
CCCCCCCCCCCCCC=C1CCC(C2C1O2)CCCC(=O)O	PC-id_88599727	378.588	UNPTYSPJVBFPNJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151536
CCCCCCCCCCCCCC=C1CCC(C2C1O2)(C)CCC(=O)O	PC-id_88599792	378.588	CTZXFPUBFJCZEZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151537
CCCCCCCCCCCCCC=C1CC[C@@]([C@@H]2[C@H]1O2)(CC)CC(=O)O	SCHEMBL10359221	378.588	FINOHVZGCRATQX-HJOGWXRNSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151538
CCCCCCCCCCCCCC=C1CC[C@@]([C@H]2[C@@H]1O2)(CC)CC(=O)O	SCHEMBL10359226	378.588	FINOHVZGCRATQX-SMIHKQSGSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151539
CCCCCCCCCCCCC/C=C/1CC[C@@H]([C@@H]2[C@H]1O2)CCCC(=O)O	SCHEMBL10359720	378.588	UNPTYSPJVBFPNJ-BNNJGUDHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151541
CCCCCCCCCCCCC/C=C/1CC[C@@H]([C@H]2[C@@H]1O2)CCCC(=O)O	SCHEMBL10359722	378.588	UNPTYSPJVBFPNJ-OTLOSEDZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151542
CCCCCCC(C)(CCCCCC)C(=O)C1(C(CC2(C1C2)C(=O)O)C)C	PC-id_135143070,SCHEMBL20290166	378.588	FESGRMGRUMNJEY-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-151543
O1C2C1CC(C(C2)C(=O)CC(CCCC)CC)C(=O)CC(CCCC)CC	PC-id_45358507	378.588	VLVTWXLZTOBUJZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151544
O1C2C1C(=CCCCCCCCCCCCCC)CCC2CCC(=O)OC	PC-id_76487582	378.588	CQBVWYADVKFVMH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151545
O1C2C1C(=CCCCCCCCCCCCCC)CCC2CC(=O)OCC	PC-id_76074198	378.588	FOLCJIQEXXNAAP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151546
O1[C@@H]2[C@H]1C(=CCCCCCCCCCCCCC)CC[C@@H]2CCC(=O)OC	PC-id_57174400	378.588	CQBVWYADVKFVMH-JRFVFWCSSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151547
O1[C@H]2[C@@H]1C(=CCCCCCCCCCCCCC)CC[C@@H]2CCC(=O)OC	PC-id_57211613	378.588	CQBVWYADVKFVMH-YFNKSVMNSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151548
O1[C@@H]2[C@H]1C(=CCCCCCCCCCCCCC)CC[C@@H]2CC(=O)OCC	PC-id_53810063	378.588	FOLCJIQEXXNAAP-JRFVFWCSSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151549
O1[C@@H]2[C@H]1C[C@@H]([C@@H](C2)C(=O)C[C@@H](CCCC)CC)C(=O)C[C@H](CCCC)CC	PC-id_29940352	378.588	VLVTWXLZTOBUJZ-NDLAFBDBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151550
O1[C@H]2[C@@H]1C[C@H]([C@H](C2)C(=O)C[C@H](CCCC)CC)C(=O)C[C@H](CCCC)CC	PC-id_29940355	378.588	VLVTWXLZTOBUJZ-JBSKWTQXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151551
O1[C@@H]2[C@H]1C[C@@H]([C@H](C2)C(=O)C[C@@H](CCCC)CC)C(=O)C[C@H](CCCC)CC	PC-id_29940359	378.588	VLVTWXLZTOBUJZ-DQGAVEFZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151552
O1[C@H]2[C@@H]1C[C@@H]([C@H](C2)C(=O)C[C@H](CCCC)CC)C(=O)C[C@H](CCCC)CC	PC-id_29940363	378.588	VLVTWXLZTOBUJZ-KNNWPQOTSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151553
C/C/1=C/CC/C(=CCC[C@]2([C@H]([C@@H]([C@H](CC1)C(=C)C)Cc1ccccc1)O2)C)/C	PC-id_101605867	378.59	MTETZWFOHIBURV-APNGXHJSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-151554
C/C/1=C/CC/C(=CCC[C@]2([C@H]([C@H]([C@H](CC1)C(=C)C)Cc1ccccc1)O2)C)/C	PC-id_101605872	378.59	MTETZWFOHIBURV-MRPGPNLCSA-N	00100000000000110110010000000000000000000000000000000000	22-01-151555
C/C/1=C/CC/C(=CCC[C@@]2([C@@H]([C@H]([C@H](CC1)C(=C)C)Cc1ccccc1)O2)C)/C	PC-id_101605877	378.59	MTETZWFOHIBURV-GPQUKMFBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-151556
C/C/1=C/CC/C(=CCC[C@@]2([C@@H]([C@@H]([C@H](CC1)C(=C)C)Cc1ccccc1)O2)C)/C	PC-id_101605882	378.59	MTETZWFOHIBURV-LVOATNNWSA-N	00100000000000110110010000000000000000000000000000000000	22-01-151557
CCCCCCCC/C=C/C1=C[C@@H](O[Si](C(C)(C)C)(C)C)[C@H]2[C@@H](C1=O)O2	PC-id_102151033	378.621	UOESLDPOUKKEKT-ZDFIJHCQSA-N	00100000000011000000010000000000000000000000000000000000	22-01-151558
CCCCCCCCC=CC1=CC(O[Si](C(C)(C)C)(C)C)C2C(C1=O)O2	PC-id_140089173	378.621	UOESLDPOUKKEKT-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-151559
O1C(=O)C2C(C2CCCCCCCCC(C)C)CCCCCCCCCC1	PC-id_54177343	378.632	OZICUMITUYDBBP-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-151560
CCC(C)C(CC(=C)C)C(CC(=C1C2CC2=CCCC=CC1=C)C)C(=CC)C	PC-id_90780417	378.633	DPALVEFFHNNTPA-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-151561
[Si](CCC1CC2OC2CC1)(CC[Si](OC)(OC)C)(C)c1ccccc1	PC-id_23529575	378.653	IAWWKWHPZMDUDW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151562
[Si](O[Si]CC(C1CC2OC2(CC1)C)C)CC(C1CC2OC2(CC1)C)C	PC-id_72260051	378.653	JPNLKMLTUQFWRS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151563
CCCCCCCCCC1=CC=CC2(C1(CCCCCCCCC)S2)O	SCHEMBL11414425,PC-id_88776236	378.655	KSTKJODKCKNREW-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-151564
CCO[Si](OCC)(OCC)CCCSCCC1CCC2C(C1)S2	PC-id_140316394	378.666	ZYSGEHUCXZRTAV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151565
Brc1cc(NC(=O)C2C3C2CCC3)ccc1S(=O)(=O)Cl	PC-id_81624647	378.669	GMWIKXPHBJREFO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151566
Brc1cc(NC(=O)C2CC3C(C3)C2)ccc1S(=O)(=O)Cl	PC-id_80467057	378.669	VPJYRCHHXFOOKG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151567
Brc1c(NC(=O)C2C3C2CCC3)ccc(S(=O)(=O)Cl)c1	PC-id_81624554	378.669	BMYCOHWSTBRDLN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151568
Brc1c(NC(=O)C2CC3C(C3)C2)ccc(S(=O)(=O)Cl)c1	PC-id_80467025	378.669	IZVATHRLSSTUPG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151569
CCCCCCCCCCC1CCC2C(C1CCCCCCCCCC)O2	SCHEMBL11777593	378.675	TWIVETHCGXICJA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151570
CCC1CC(C(CC2(CC2N(C(C(CCCN(C1)C)(C)C)C)C)C)C)(C)C	PC-id_90877304	378.678	BOHGMJMACSSIPE-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-151571
CC(C)SC1=C(N(C2(C1(S2)SC(C)C)N(C)C)C)SC(C)C	PC-id_134888057	378.683	UPSZGGNZHZAJRK-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-151572
Brc1cnc(c(c1)Cl)CS(=O)(=O)CC1CCC2C(C1)C2	EMOLS-id_316952329,MCULE-6852257756	378.712	CEAOBDQXOLRPEI-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-151573
O=S(=O)(Cc1ncc(Br)cc1Cl)C[C@@H]1CC[C@@H]2C[C@H]2C1	ZINC22_621995520	378.712	CEAOBDQXOLRPEI-GMTAPVOTSA-N	00100000000010101000010000000000000000000000000000000000	22-01-151574
O=S(=O)(Cc1ncc(Br)cc1Cl)C[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC22_621995521	378.712	CEAOBDQXOLRPEI-MXWKQRLJSA-N	00100000000010101000010000000000000000000000000000000000	22-01-151575
O=S(=O)(Cc1ncc(Br)cc1Cl)C[C@@H]1CC[C@H]2C[C@H]2C1	ZINC22_621995522	378.712	CEAOBDQXOLRPEI-OUAUKWLOSA-N	00100000000010101000010000000000000000000000000000000000	22-01-151576
O=S(=O)(Cc1ncc(Br)cc1Cl)C[C@@H]1CC[C@H]2C[C@@H]2C1	ZINC22_621995523	378.712	CEAOBDQXOLRPEI-VWYCJHECSA-N	00100000000010101000010000000000000000000000000000000000	22-01-151577
CNCCOc1cc(Cl)c2c(c1)P2Nc1ccc(cc1)CCC(=O)O	SCHEMBL19190057	378.79	KLAKXQZGQVAHOX-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-151578
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)OC)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl	ZINC22_2100473648,EMOLS-id_337665720,MCULE-2493786487	378.807	RJEHSZHQTCKIQN-ZEDHKUJTSA-N	00100010000010110001110000000000000000000000000000000000	22-01-151579
CCOC(=O)[C@H]1[C@H]2[C@@H]1[C@@]([C@@H](C2)Cc1ccc(c(c1)Cl)F)(C#N)C(=O)CN	SCHEMBL8763799,PC-id_21309798	378.825	BJWRTSLPMGBOJO-CZYFLFAMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151580
CCOC(=O)[C@H]1[C@H]2[C@@H]1[C@]([C@@H](C2)Cc1ccc(c(c1)Cl)F)(C#N)C(=O)CN	SCHEMBL8764066,PC-id_21309794	378.825	BJWRTSLPMGBOJO-RYVNDUHBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151581
Clc1cc(CC2C(C3C(C3C(=O)OCC)C2)(C(=O)CN)C#N)ccc1F	PC-id_73769599	378.825	BJWRTSLPMGBOJO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151582
Cn1cc(nc1)OC(=O)N(CC1C2C1CNC2)Cc1cc(c(cc1)F)Cl	PC-id_90353633	378.828	XJKIRPHDGBWRFY-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-151583
C1CC(C2(C1C2O)O)(Nc1c(c(nc(n1)N)Cl)C#Cc1cscc1)O	PC-id_91338513	378.833	LWEFQUQBFLEQIL-UHFFFAOYSA-N	00100010100110100001010000000000000000000000000000000000	22-01-151584
C1CC(OC1)C(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	SCHEMBL20631349,PC-id_137399687	378.85	CHZJQUVKTVPAPA-KCHSWKNTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151585
BrC(Br)(Br)C1OC(O)C2C1C2(C)C	PC-id_21284032,SCHEMBL10804009	378.884	AOGKIHWXVAHVFE-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-151586
BrC(Br)(Br)[C@@H]1O[C@H](O)[C@H]2[C@@H]1C2(C)C	PC-id_70432368,SCHEMBL10742538	378.884	AOGKIHWXVAHVFE-KCDKBNATSA-N	00100010000000000000010000000000000000000000000000000000	22-01-151587
BrC(Br)(Br)[C@@H]1O[C@H](O)[C@@H]2[C@H]1C2(C)C	SCHEMBL10665447,PC-id_22840734	378.884	AOGKIHWXVAHVFE-MOJAZDJTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-151588
O[C@H]1O[C@H](C2C1C2(C)C)C(Br)(Br)Br	PC-id_140347398	378.884	AOGKIHWXVAHVFE-KTGMNZKDSA-N	00100010000000000000010000000000000000000000000000000000	22-01-151589
CC1(CC1)OCCN[C@H]1C[C@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137400313,SCHEMBL20632022	378.893	GGAXKHYOPHNCSF-ZGUYJTEBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151590
CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137400284,SCHEMBL20631989	378.893	IQOOWCREKDCCBH-BACDZXNISA-N	00100010000010110000010000000000000000000000000000000000	22-01-151591
Clc1ncc(c(n1)NC1CC([C@]2([C@@H]1C2)N)CSCc1ccccc1)F	SCHEMBL19250349	378.895	WKYTWYZYYFILHH-PKIRPEDLSA-N	00100010000010110001010000000000000000000000000000000000	22-01-151592
CCN1CC[C@@H](NC(=O)[C@H]2C[C@H]3[C@@H](C2)C3(C)C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC22_2325872111	378.911	IPNZYSUDLDEVJI-HIGHGGLBSA-N	00100010000010110000110000000000000000000000000000000000	22-01-151593
CCC1CC2CC2=CC1NC(=O)C(NSc1cccc(c1C)Cl)(C)C	PC-id_144522413	378.959	HSJNNTMGFQIXHC-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-151594
CCO[Sn](C(C1CCC2C(C1)O2)C)(OCC)OCC	SCHEMBL7724908,PC-id_22460218	379.071	OXZOGKHCOBSTPN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151595
CCO[Sn](CCC1CCC2C(C1)O2)(OCC)OCC	PC-id_22280273,SCHEMBL3364932	379.071	XKRLLRUCYPFNJP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-151596
Br[C@H]1C[C@@H]2[C@H](C[C@@H]1Br)N2[S@@](=O)c1ccccc1	PC-id_98172757	379.111	PTZNZVTYUNXKCN-HNTBKXQMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151597
Br[C@H]1C[C@@H]2[C@H](C[C@@H]1Br)N2[S@](=O)c1ccccc1	PC-id_98172758	379.111	PTZNZVTYUNXKCN-SQKXZEEASA-N	00100000000010110000010000000000000000000000000000000000	22-01-151598
C1C2C(N2[S+](c2ccccc2)[O-])CC(C1Br)Br	PC-id_90487083	379.111	PTZNZVTYUNXKCN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151599
C1=CC=C(C=C1)C(C2=CC3=C=C3C=C2)C(C(=O)O)NC(=O)CC4=CC5=C=C5C=C4	PC-id_147475619	379.121	FCQAJOVXFJOKKS-UHFFFAOYSA-N	00000000000000110000010000000000000000000000000000000000	22-01-151600
CC(=O)Nc1ccc(cc1)O[C@@H]1C2[C@@H](O2)[C@H]([C@H](O1)COC(=O)C)OC(=O)C	PC-id_163646471	379.127	IIQHHWWTYLJQIM-QUQKADEJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151601
CCN1CC2C(C1)C2C(CC(=O)[C@@H]1CNC(=O)N1)c1cc(c(cc1)F)Cl	PC-id_164036761	379.146	VMSCTVGKSCGYQZ-CYPWDGBBSA-N	00100010000000110001010000000000000000000000000000000000	22-01-151602
Brc1cc(sc1Br)C(NC)C1C2C1CCCC2	PC-id_81631539	379.154	ZOQUXBQLLOCDNE-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-151603
Brc1cc(sc1Br)C(NCC)C1C2C1CCC2	PC-id_81631754	379.154	WDUKZLLMIGTTPX-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-151604
Brc1cc(sc1Br)C(NCC)C1CC2C(C2)C1	PC-id_80533913	379.154	SASVTTRURYMSLK-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-151605
Brc1sc(Br)cc1C(NC)C1C2C1CCCC2	PC-id_81625004	379.154	RDKMMMYBQKDWRP-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-151606
Brc1sc(Br)cc1C(NCC)C1C2C1CCC2	PC-id_81624426	379.154	BJZOKDKVDDAMAT-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-151607
Brc1sc(Br)cc1C(NCC)C1CC2C(C2)C1	PC-id_80468695	379.154	WPIUPPHHOCAQBI-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-151608
CC1(C2C1C(N(C2)[C@@](C(=O)O)(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N)C	PC-id_165388059	379.172	RMASDJCCOGHTSX-SWCPFFBOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-151609
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CC4C(C3)C4C(=O)[O-]	PC-id_154059184	379.173	XSWNPUGCIOBMJX-UHFFFAOYSA-M	00100010000010110000010000000000000000000000000000000000	22-01-151610
CC1=CC(=NN1)CN2CC3C(C2)C3C[N-]CC4=CC(=CC=C4)OC(F)(F)F	PC-id_160193302	379.175	PFUIAQCCTYPODO-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-151611
CC1=C(N=CN1)CN2CC3C(C2)C3C[N-]CC4=CC(=CC=C4)OC(F)(F)F	PC-id_161673780	379.175	XCQBDWFCWSIIBV-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-151612
CCNC(=O)c1cc(cc(n1)Cc1ccccc1)C(=O)N[C@@H]1[C@@H]2[C@]1(COC2)C	PC-id_163760276	379.19	LXPPYDICZVKSIB-SFGWALBWSA-N	00100010000000111000010000000000000000000000000000000000	22-01-151613
CNC(=O)C1=CC(=CC(=N1)CC2=CC(=CC=C2)OC)C(=O)CC3[C@H]4[C@@H]3CNC4	PC-id_160604220	379.19	REQXXBAWXXDWNB-YQQQUEKLSA-N	00100010000000111000010000000000000000000000000000000000	22-01-151614
C=CC1CC1(NC(=O)C1CC2CC2C1C=O)[I](O)O	PC-id_88270106	379.191	LFWAABRRKUQMEV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-151615
C=C[C@@H]1C[C@]1(NC(=O)C1CC2C(C1C=O)C2)[I](O)O	SCHEMBL8249376	379.191	LFWAABRRKUQMEV-JACAANNASA-N	00100010000010000000010000000000000000000000000000000000	22-01-151616
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3C[C@@H]4[C@H](C3)C4C(=O)N	PC-id_153307085	379.197	BFPSTWJHEMJOKO-SHYIKFMPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151617
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]4C[C@H]4C(=N3)OC	PC-id_164842755	379.197	GVZPDZROKZVHJC-PWRODBHTSA-N	00100011000000110000010000000000000000000000000000000000	22-01-151618
CC(C1C2C1CC(C2)O[Si](C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)O	PC-id_153289151	379.209	HPDQINMRUXNOLE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151619
CCC1CCC(CC1)C(=O)NC2=CC(=CC(=C2)C(=O)N3[C@@H](C[C@H]4[C@@H]3C4)C#N)C	PC-id_148254522	379.226	KQLIUBHNJWXCFK-RNMQIGOTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151620
C/C=C(CC1=CC=CC=C1)/C=C(C=C(/C)C(=O)NC)/C(=O)NC2C3C2CNC3	PC-id_155238195	379.226	LWYBKQJGOFWSOT-YFGROEDBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151621
C[C@H]1[C@@H]2[C@H]1N([C@@H](C2)C#N)C(=O)C3=CC(=C(C=C3)C)NC(=O)C4CCC(CC4)C	PC-id_152954005	379.226	UPGKCCZQHRWYQU-BKWHNRQJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151622
O=C(C(c1ccc(cc1)Br)N=[N+]=N)C1CC2CC2CC1C(=O)O	PC-id_117993220	379.228	VESWNPOSFWSGRK-UHFFFAOYSA-O	00100000000010110000010000000000000000000000000000000000	22-01-151623
CC1C2C1C=C(C=C2)CNC(=O)N([C@@H]3CCCN(C3)C4=NN=CC=C4)C5CC5	PC-id_165119611	379.237	JPIPVQLYCOZNCP-LSVSSVTGSA-N	00100000000011100001110000000000000000000000000000000000	22-01-151624
CCNC(=O)C1CCCN1C(=O)[C@@](C)(C(C)C)NC(=O)OC2C[C@@H]3CC3C2	PC-id_148869159	379.247	PAUZWSZBAMCGDB-VOOKUECKSA-N	00100010000010000000010000000000000000000000000000000000	22-01-151625
CCOC(=O)/C(=C/[C@H](C(C)C)N(C)C(=O)CNC(=O)C1C2CC2CN1C)/C	PC-id_164028314	379.247	VFQMNLAFNXEUPX-CCSXJGCZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-151626
C1C2C(C2C(=NOCc2ccc(cc2)F)c2cc(c(cc2)Cl)Cl)CN1	SCHEMBL15274096,PC-id_89816777	379.255	XHVOVIJDIMMTEP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-151627
CC1([C@H]2C1CN([C@@H]2C(=O)OC)C(=O)[C@@H](CC(=O)CC(C)(C)C)C(C)(C)C)C	PC-id_160793214	379.272	SCCDIMOYLLPXOE-XOJKTNQZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-151628
ClC1(Cl)C2C1OCC(OCc1ccccc1)C2OCc1ccccc1	PC-id_85198980	379.277	QVQNALIXMLUPLQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151629
ClC1(Cl)[C@H]2[C@@H]1OC[C@@H](OCc1ccccc1)[C@@H]2OCc1ccccc1	PC-id_10595861	379.277	QVQNALIXMLUPLQ-YRXWBPOGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151630
C1C2C(O2)NOCC(=O)NOCC(=O)NOCC(=O)NOCC(=O)NO1	SCHEMBL20388385,PC-id_135230573	379.28	YLAVOADHUONJHX-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-151631
Clc1ccc(c(c1)Cl)CN(C(=O)c1ncn(c1)C)CC1C2C1CNC2	SCHEMBL6105648,PC-id_69666131	379.284	VYHQJFYQYBXRCS-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-151632
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Clc1c(CN(CC2C3C2CNC3)C(=O)c2ncn(c2)C)cccc1Cl	SCHEMBL6101919,PC-id_69664655	379.284	FGVNFEFLUCUXDN-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-151635
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ClC1(Cl)[C@@](C1)(C=NNC(=O)C1[C@@H]2[C@@H]1CCCCCC2)c1ccccc1	PC-id_7241819	379.323	RQGFWRLKNCJXSQ-BXWFABGCSA-N	00100000000000110100110000000000000000000000000000000000	22-01-151645
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Fc1cccc(c1)c1ccc(cn1)C(=O)NC1C2C1CN(C2)CC(F)(F)F	PC-id_68402426,SCHEMBL12844651	379.351	QDQMIIJCWLUORK-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-151654
Fc1cccc(c1)c1ccc(cn1)C(=O)NC1[C@@H]2[C@H]1CN(C2)CC(F)(F)F	SCHEMBL2071248,PC-id_59743758	379.351	QDQMIIJCWLUORK-FKEKPDDDSA-N	00100010000000111000110000000000000000000000000000000000	22-01-151655
Fc1cccc(c1)c1ccc(cn1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)CC(F)(F)F	SCHEMBL2071243	379.351	QDQMIIJCWLUORK-QLPKVWCKSA-N	00100010000000111000110000000000000000000000000000000000	22-01-151656
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CC(=O)Nc1ccc(cc1)OC1C2C(O2)C(C(O1)COC(=O)C)OC(=O)C	PC-id_88567838	379.361	IIQHHWWTYLJQIM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-151659
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Fc1ccc(cn1)Nc1cc(NC2=C3[C@H]2COC3)nc(n1)c1ccccc1F	PC-id_139393283,SCHEMBL21249469	379.363	XOKVNRIQJYYDAB-CYBMUJFWSA-N	00110010000000111001110000000000000000000000000000000000	22-01-151665
C1C2C(C2CNC(=O)c2cc(ccc2)OC(F)(F)F)CN1Cc1ccc[nH]1	PC-id_90353407,SCHEMBL15967086	379.376	OCRFHWWOXNXVTI-UHFFFAOYSA-N	00100010110000110000010000000000000000000000000000000000	22-01-151666
CCOC(=O)C1CCC2C1(OC(=O)Nc1ccccc1F)C2C(=O)OCC	PC-id_142165139	379.379	LIBFPFPFFJQVHE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-151667
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Fc1ccc(c(c1)c1ccc(nn1)NC1C2C1CN(C2)Cc1ccccn1)F	PC-id_139371309,SCHEMBL21224931	379.406	RRPNIBSPICTVRF-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-151673
Fc1ccc(c(c1)c1ccc(nn1)NC1[C@H]2[C@H]1CN(C2)Cc1ccccn1)F	PC-id_139371307,SCHEMBL21224928	379.406	RRPNIBSPICTVRF-IAGOWNOFSA-N	00100010000000111001110000000000000000000000000000000000	22-01-151674
Fc1ccc(c(c1)c1ccc(nn1)NC1[C@@H]2[C@H]1CN(C2)Cc1ccccn1)F	SCHEMBL21224607,PC-id_139371046	379.406	RRPNIBSPICTVRF-QRTHJKPMSA-N	00100010000000111001110000000000000000000000000000000000	22-01-151675
Fc1ccc(c(c1)c1ccc(nn1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccn1)F	SCHEMBL21224604	379.406	RRPNIBSPICTVRF-LFUKPOHLSA-N	00100010000000111001110000000000000000000000000000000000	22-01-151676
Fc1ccc(c(c1)c1ccc(nn1)N[C@@H]1[C@H]2[C@@H]1CN(C2)Cc1ccccn1)F	SCHEMBL21224605	379.406	RRPNIBSPICTVRF-UPHUGPLXSA-N	00100010000000111001110000000000000000000000000000000000	22-01-151677
COC(=O)C(NC(=O)C12CC2(C)CCC1Oc1nc(OC)cc(n1)OC)C	PC-id_54344638,SCHEMBL9120163	379.408	UBKWWARNGZQVPT-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-151678
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IC(Br)(Cl)C1OC(=O)C2C(C12)(C)C	PC-id_20566146,SCHEMBL11338847	379.417	NUPHEFXAHXJRCQ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-151683
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CC(N1CC2C(C1)C2COc1ccc(cc1)c1c(C)[nH]nc1C(F)(F)F)C	PC-id_24873321,SCHEMBL5615578	379.419	WRVLKYTUHCFFGD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-151689
Cn1cccc1CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F	SCHEMBL5510259,PC-id_69469902	379.419	OHPYEJWRDQJIOM-UHFFFAOYSA-N	00100010110000110000010000000000000000000000000000000000	22-01-151690
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CCOC(=O)C1=C[C@H]2C([C@@H](C1)OS(=O)(=O)c1ccc(cc1)C)N2C(=O)C	PC-id_59650089,SCHEMBL14283140	379.427	IVZPZLYJTLTBSB-AAILRHKWSA-N	00100000000011110000010000000000000000000000000000000000	22-01-151698
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[Si](C1C2C(C2)C=C1)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1	PC-id_85189819	380.597	HUACUGXBACTDFV-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-152124
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CCOC(=O)C12CCCCC1N2S(=O)(=O)OCC(Cl)(Cl)Cl	PC-id_134884015	380.672	HMEUVDZLKHEVHN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152138
CC(C1SCCN1C(C)(C)C)CCC(N1CC2C(C1C(C)(C)C)C2)(C)C	SCHEMBL19478880	380.674	ZUSNJZSOAZOVAL-UHFFFAOYSA-N	00100010000000000001010000000000000000000000000000000000	22-01-152139
C[Si](O[Si](CCC1CCC2C(C1)O2)(C)C)(CCC1CCC2C(C1)C2)C	PC-id_54260006,SCHEMBL12603968	380.712	TUVNZTURYVZSMF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152140
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Clc1c(F)c(CNC(=O)[C@H]2N[C@]3(OC(=O)C(F)(F)F)[C@H](C3)C2)ccc1	SCHEMBL12480079,PC-id_68283682	380.722	SQCAPHVMEGUNIW-QEVYDEPDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152142
CC(C)(C)OC(=O)NC1CC2CC2CC1Nc1c(cc(c(n1)Cl)C#N)F	PC-id_89666925	380.844	DDVIVBFJAIENLZ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-152143
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CCCCCCCOC(=O)C1CCCC2C1(O2)C(=O)OCCCCCCC	PC-id_101310482	382.534	WSPUYRAUXRMWAI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152651
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CCC(C)(C1=CC(=CC=C1)Br)OC(=O)N2C3CC3CC2C(=O)O	PC-id_153976086	381.058	VCZYBJGCWTZLTK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152151
CC(C)(C)OC(=O)N1[C@H]2C[C@@H]2C[C@H]1C(=O)Nc1nc(ccc1)Br	PC-id_164021790	381.069	VACILUOHIRVKND-VWYCJHECSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152152
CC(C)(C)OC(=O)N1[C@@H](C[C@@H]2C1C2)C(=O)Nc1nc(ccc1)Br	PC-id_164021789	381.069	VACILUOHIRVKND-FBKFWFMHSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152153
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C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(c(c(c1)Br)O)OC	PC-id_136854333,CoCoCo_63341	381.264	CSTFGGJEJBVLQF-ILSDNQPNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152202
C[C@@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(c(c(c1)Br)O)OC	PC-id_136873105	381.264	CSTFGGJEJBVLQF-RFFMAUGYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152203
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1cc(c(c(c1)Br)O)OC	PC-id_136897151	381.264	CSTFGGJEJBVLQF-BRTBMXHGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152204
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1cc(c(c(c1)Br)O)OC	PC-id_136897152,CoCoCo_63338	381.264	CSTFGGJEJBVLQF-DGDRZURFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152205
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(c(c(c1)Br)O)OC	PC-id_137088991	381.264	CSTFGGJEJBVLQF-KAADNQLTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152206
C[C@@]12CCCC[C@H]1[C@H]2C(=O)NN=Cc1cc(c(c(c1)Br)O)OC	PC-id_137195424	381.264	CSTFGGJEJBVLQF-PZSREKOKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152207
C[C@]12CCCC[C@@H]1[C@H]2C(=O)NN=Cc1cc(c(c(c1)Br)O)OC	PC-id_137195425	381.264	CSTFGGJEJBVLQF-WHCBVINPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152208
C[C@]12CCCC[C@H]1[C@H]2C(=O)NN=Cc1cc(c(c(c1)Br)O)OC	PC-id_137195426	381.264	CSTFGGJEJBVLQF-YLVFBTJISA-N	00100000000010110000010000000000000000000000000000000000	22-01-152209
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(Br)c1	EMOLS-id_317503560	381.264	VYSMNHJYPSFTOG-HONMWMINSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152210
COc1cc(/C=N/NC(=O)C2C3C2(C)CCCC3)cc(c1O)Br	PC-id_135495651,EMOLS-id_25787593,BAS-00406521,SPECS-id_AG-690/36723038	381.264	CSTFGGJEJBVLQF-DJKKODMXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152211
COc1cc(OC)c(cc1/C=NNC(=O)C1[C@H]2[C@H]1CCCC2)Br	PC-id_98094915	381.264	LXGXWPPMOWJVDZ-KSHAQOAFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152212
COc1cc(OC)c(cc1/C=NNC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)Br	CoCoCo_599881	381.264	LXGXWPPMOWJVDZ-RSNRAJNNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152213
COc1cc(OC)c(cc1/C=N/NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)Br	CoCoCo_599882	381.264	LXGXWPPMOWJVDZ-MNPDTTGOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152214
COc1cc(OC)c(cc1/C=NNC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2)Br	CoCoCo_599883	381.264	LXGXWPPMOWJVDZ-PGWCANNCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152215
COc1cc(OC)c(cc1/C=N/NC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2)Br	CoCoCo_599884	381.264	LXGXWPPMOWJVDZ-FQCRGQEMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152216
COc1cc(OC)c(/C=N/NC(=O)C2C3CCCCC23)cc1Br	EMOLS-id_25842805,PC-id_9585107	381.264	LXGXWPPMOWJVDZ-DJKKODMXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152217
Brc1sc(cc1S(=O)(=O)NC1C2C1CNC2)C(=O)OC	PC-id_43597381	381.266	OCRMOCCWKGLZNG-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-152218
O=C(Nc1cnc(c(c1)Br)N1CCOCC1)NC1CC2C(C1)C2	EMOLS-id_102219835	381.268	YVESPPKKMSDKGO-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-152219
O=C(Nc1ncc(c(c1)N1CCOCC1)Br)NC1CC2C(C1)C2	EMOLS-id_102208141	381.268	CCRNHAGJADPWCO-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-152220
CCN=C/C(=CC)/CN1C[C@@H]2[C@H](C1)C2CCNC(=O)/C=C/C(=C/C=CC)/C=C	PC-id_153559863	381.278	QNBDVJBLSPDIJA-PGWMYIANSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152221
CC(C)C1(C2=C1[CH]2)NC3CCN(CC3(F)F)CCN4CCN(CC4)C(C)C	PC-id_154670514	381.283	NLYQQFXTVOGFLE-UHFFFAOYSA-N	00110000000010000001010000000000000000000000000000000000	22-01-152222
Brc1cccc(c1)C(NC1C2C1CN(C2)C(=O)OC(C)(C)C)C	PC-id_107238538	381.307	GIPSACJRZRUYHW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152223
Cc1ccc(c(c1)Br)CNC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_107238523	381.307	IBBGLNYUHVIYKL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152224
CC(c1ccc(cc1)Br)NC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_107238601	381.307	DWQGXXOYJWXUQT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152225
O=C(N1CC2C(C1)C2NC(c1ccccc1Br)C)OC(C)(C)C	PC-id_107238363	381.307	KXCATVXSDGDQQI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152226
O=C(N1CC2C(C1)C2NCc1ccc(c(c1)Br)C)OC(C)(C)C	PC-id_107238698	381.307	VXVZLURTHTVGKG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152227
O=C(N1CC2C(C1)C2NCc1ccc(c(c1)C)Br)OC(C)(C)C	PC-id_107238804	381.307	DGMSDBAFEPMTBJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152228
C1[C@@H]2C1[C@H](NC2)C(=O)NCc1cc(ncc1F)c1cnc(nc1)C(F)(F)F	PC-id_137409504,SCHEMBL20642448	381.328	WVXDNWACORUXJH-FOJQBMCESA-N	00100010000000101001110000000000000000000000000000000000	22-01-152229
C1CN(C2(C(N1)O2)CC(=O)N)S(=O)(=O)c1ccc(cc1)OC(F)(F)F	SCHEMBL5983329,PC-id_87921734	381.328	XIFKVXQLYQAFCS-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-152230
O=C(C1NCC2C1C2)NCc1cc(ncc1F)c1cnc(nc1)C(F)(F)F	PC-id_122514899	381.328	WVXDNWACORUXJH-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-152231
O=C(C1NC[C@H]2[C@H]1C2)NCc1cc(ncc1F)c1cnc(nc1)C(F)(F)F	PC-id_122514820	381.328	WVXDNWACORUXJH-UFWNAEBSSA-N	00100010000000101001110000000000000000000000000000000000	22-01-152232
O=C([C@H]1NC[C@H]2[C@@H]1C2)NCc1cc(ncc1F)c1cnc(nc1)C(F)(F)F	SCHEMBL18018282,PC-id_122490064	381.328	WVXDNWACORUXJH-PSEJXSGSSA-N	00100010000000101001110000000000000000000000000000000000	22-01-152233
FC(F)(F)Oc1cc(C(=O)NCC2C3C2CN(C3)Cc2nocc2)ccc1	SCHEMBL5514027,PC-id_69471405	381.349	ZXBZCMZZVSWVHA-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-152234
[I-](OC)C12SC1CCCSC(SS2)C	PC-id_58729908	381.361	KFAFBYPVDNKHSZ-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-152235
Fc1ccc(cn1)Nc1cc(NC2C3C2COC3)nc(n1)c1ccccc1F	SCHEMBL21249470	381.379	PIDLMCIIPNYLBL-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152236
Fc1ccc(cn1)Nc1cc(NC2[C@@H]3[C@H]2COC3)nc(n1)c1ccccc1F	PC-id_117816475,SCHEMBL16392069	381.379	PIDLMCIIPNYLBL-FSWDVZBNSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152237
Fc1cncc(c1)Nc1cc(NC2C3C2COC3)nc(n1)c1ccccc1F	SCHEMBL21249498	381.379	ALZXUFYWUMIXEY-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152238
Fc1cncc(c1)Nc1cc(NC2[C@@H]3[C@H]2COC3)nc(n1)c1ccccc1F	PC-id_117816649,SCHEMBL16392249	381.379	ALZXUFYWUMIXEY-RTHVDDQRSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152239
Fc1nccc(c1)Nc1cc(NC2C3C2COC3)nc(n1)c1ccccc1F	SCHEMBL21249478	381.379	BZMOXHPVJJEHLJ-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152240
Fc1nccc(c1)Nc1cc(NC2[C@@H]3[C@H]2COC3)nc(n1)c1ccccc1F	PC-id_117816557,SCHEMBL16392151	381.379	BZMOXHPVJJEHLJ-FSWDVZBNSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152241
COC(=O)CNC(=O)OC12CC2(C)CCC1Oc1nc(OC)cc(n1)OC	PC-id_67845628,SCHEMBL9412086	381.38	NWHRQLOSWRNCIJ-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-152242
C[C@H](CC(=O)N[C@@H](C(=O)O)C1=CC[C@@H]2C[C@H]2C1)c1ccc(C(F)(F)F)cc1	ZINC22_2325875846	381.389	DEDOCTAXBGQCEU-JPHJHBEYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-152243
C[C@H](CC(=O)N[C@@H](C(=O)O)C1=CC[C@H]2C[C@H]2C1)c1ccc(C(F)(F)F)cc1	ZINC22_2325875847	381.389	DEDOCTAXBGQCEU-MTKHPJAWSA-N	00100000000011110000010000000000000000000000000000000000	22-01-152244
C[C@H](CC(=O)N[C@@H](C(=O)O)C1=CC[C@@H]2C[C@@H]2C1)c1ccc(C(F)(F)F)cc1	ZINC22_2325875848	381.389	DEDOCTAXBGQCEU-VBVJRUAFSA-N	00100000000011110000010000000000000000000000000000000000	22-01-152245
C[C@H](CC(=O)N[C@@H](C(=O)O)C1=CC[C@H]2C[C@@H]2C1)c1ccc(C(F)(F)F)cc1	ZINC22_2325875849	381.389	DEDOCTAXBGQCEU-VPSJLMRDSA-N	00100000000011110000010000000000000000000000000000000000	22-01-152246
FC(F)(F)c1cc(NC(=O)CNC(=O)C2C3C2CN(C3)CC2CC2)ccc1	PC-id_77138135	381.392	XNXRWBPCNUYPLY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152247
FC(F)(F)c1cc(NC(=O)CNC(=O)C2[C@@H]3[C@H]2CN(C3)CC2CC2)ccc1	PC-id_66550060	381.392	XNXRWBPCNUYPLY-FKEKPDDDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152248
O=C(N1CCN(CC1)C(=O)c1cccc(c1)C(F)(F)F)NC1CC2C(C1)C2	EMOLS-id_102213781	381.392	LALVIUOXDOCCHT-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-152249
Cc1ccc(cc1)S(=O)(=O)N1C(=O)OC[C@@H]1C[C@@]1(O)C(=O)CC[C@H]2[C@@H]1O2	PC-id_101392504	381.4	JRWWSVNKPCPRJQ-MOWSHJCCSA-N	00100010000010110001010000000000000000000000000000000000	22-01-152250
F[C@@H]1CN(C(=O)CNC2C3C2CN(C3)C(=O)c2ccc(cc2)C#N)[C@@H](C1)C#N	SCHEMBL4896870,PC-id_16225524	381.404	UHOLJPKZIVOLRP-XLWKGDHDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152251
CCOC(=O)C([C@@H]1C=C2[C@H](C1)C2(F)F)N=C(c1ccccc1)c1ccccc1	PC-id_144616104	381.415	KULWVMNELYQYLB-VCPDFFEISA-N	00100011000000110000010000000000000000000000000000000000	22-01-152252
NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C(F)(F)F)C)C2	SCHEMBL1572140,PC-id_67081378	381.415	VFIMTNQLTLBVLT-XBFCOCLRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152253
NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1ccccc1C(F)(F)F)C)C2	SCHEMBL1572633,PC-id_67081650	381.415	BLQIKTIYGVLFTH-SUNKGSAMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152254
NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C(F)(F)F)C	PC-id_68634966,SCHEMBL3418134	381.415	QBLYGOXOBBTLGU-FPMFFAJLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152255
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C(F)(F)F)C	SCHEMBL2925015,PC-id_68443050	381.415	QBLYGOXOBBTLGU-MRVWCRGKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152256
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1ccccc1C(F)(F)F)C	SCHEMBL2931886,PC-id_68445806	381.415	PZPKCUCJEOJVQR-MPKXVKKWSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152257
N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2csc(c3ccc(C(F)(F)F)cc3)n2)C1	ZINC22_870895669	381.415	GCUCHSSLOXDFNW-OGHNNQOOSA-N	00100010100010110001110000000000000000000000000000000000	22-01-152258
O=C(c1cscn1)N(Cc1ccccc1C(F)(F)F)CC1C2C1CNC2	PC-id_69665344,SCHEMBL6103599	381.415	OYQASORIFBCGCQ-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-152259
O=C(c1cscn1)N(Cc1cccc(c1)C(F)(F)F)CC1C2C1CNC2	SCHEMBL6103721,PC-id_69665394	381.415	LIBKRRUWKXABAC-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-152260
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CN)c1cc(ccc1)C(F)(F)F	PC-id_77222968	381.415	VFIMTNQLTLBVLT-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152261
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CN)c1c(cccc1)C(F)(F)F	PC-id_77223080	381.415	BLQIKTIYGVLFTH-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152262
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CN)c1cc(ccc1)C(F)(F)F	PC-id_77500925	381.415	QBLYGOXOBBTLGU-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152263
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CN)c1c(cccc1)C(F)(F)F	PC-id_77501371	381.415	PZPKCUCJEOJVQR-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152264
C#CCCCCCC(=O)NC(C(=O)N1C2C1C(O)CC(C2C(=O)O)O)CN	PC-id_142554715	381.423	RLOTWWWCTWYCTQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152265
CC(=O)OCCC1C(=O)NC2(CC2C=CCCCCN(C(=O)N1)C)C(=O)O	PC-id_90855599	381.423	IRBMSLFLDKJYLR-UHFFFAOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-152266
CC(=O)OCC[C@@H]1NC(=O)N(C)CCCC/C=C[C@H]2[C@](NC1=O)(C2)C(=O)O	SCHEMBL13929827	381.423	IRBMSLFLDKJYLR-VSYRIERUSA-N	00100000000000000111010000000000000000000000000000000000	22-01-152267
NC(CC[C@@H](C(=O)NCC(=O)O)NC(=O)OCC1C2C1CCC#CCC2)O	PC-id_144774244	381.423	SJBOCKCYTXSPOO-IHXHZNKUSA-N	00100000000000000110010000000000000000000000000000000000	22-01-152268
OC(=O)[C@]12NC(=O)[C@@H](NC(=O)N(CCCCC=C[C@H]1C2)C)CCOC(=O)C	PC-id_57578727	381.423	IRBMSLFLDKJYLR-SUNYJGFJSA-N	00100000000000000111010000000000000000000000000000000000	22-01-152269
OC(=O)[C@]12NC(=O)[C@@H](NC(=O)N(CCCCC=C[C@@H]1C2)C)CCOC(=O)C	PC-id_71028412	381.423	IRBMSLFLDKJYLR-QWQRMKEZSA-N	00100000000000000111010000000000000000000000000000000000	22-01-152270
CNC(=O)c1nc(cc(c1)C(=O)NC1C2C1COC2)C(c1ccccc1C)O	PC-id_145379904	381.425	WDLLWXYZFBILLS-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152271
CNC(=O)c1nc(cc(c1)C(=O)NC1C2C1COC2)C(c1cccc(c1)C)O	SCHEMBL19448720	381.425	UEPLUCZHILWILQ-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152272
CNC(=O)c1nc(cc(c1)C(=O)NC1C2C1COC2)Cc1ccccc1OC	SCHEMBL19448690	381.425	NTIWJIJEFAXZQG-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152273
CNC(=O)c1nc(cc(c1)C(=O)NC1[C@@H]2[C@H]1COC2)C(c1ccc(cc1)C)O	PC-id_138571793	381.425	WYBSOTVCVNZDHS-MYMYQCDVSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152274
CNC(=O)c1nc(cc(c1)C(=O)NC1[C@@H]2[C@H]1COC2)C(c1cccc(c1)C)O	PC-id_138571889	381.425	UEPLUCZHILWILQ-MYMYQCDVSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152275
CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@@]1(C)COC2)C(c1ccccc1)O	PC-id_145379846	381.425	FEPUMNLQNUABOT-HBWSBLEZSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152276
CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)C(c1ccccc1C)O	SCHEMBL19448624	381.425	WDLLWXYZFBILLS-CJRSANABSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152277
CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)C(c1ccc(cc1)C)O	SCHEMBL20929850	381.425	WYBSOTVCVNZDHS-CJRSANABSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152278
CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)C(c1cccc(c1)C)O	SCHEMBL20929960	381.425	UEPLUCZHILWILQ-CJRSANABSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152279
CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)Cc1ccccc1OC	SCHEMBL19448732	381.425	NTIWJIJEFAXZQG-MNZLEMJZSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152280
CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)[C@@H](c1ccc(cc1)C)O	SCHEMBL19448693	381.425	WYBSOTVCVNZDHS-LVFSCSRESA-N	00100010000000111000010000000000000000000000000000000000	22-01-152281
CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)[C@H](c1ccc(cc1)C)O	SCHEMBL19448694	381.425	WYBSOTVCVNZDHS-SFUIVIKGSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152282
CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)[C@@H](c1ccccc1C)O	SCHEMBL19448698	381.425	WDLLWXYZFBILLS-LVFSCSRESA-N	00100010000000111000010000000000000000000000000000000000	22-01-152283
CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)[C@H](c1ccccc1C)O	SCHEMBL19448700	381.425	WDLLWXYZFBILLS-SFUIVIKGSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152284
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COC(=O)[C@H]1N(C[C@H]2C1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C	SCHEMBL10173667,PC-id_68052881	381.51	BOAWSIPWPIUQLQ-FUDCBSFHSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152366
O=C(N[C@@H](C(C)(C)C)COCN1CCC[C@H]1C(=O)N)OC1CC2C(C1)C2C	PC-id_145545623	381.51	KDVGJWAVIZIWLS-PZMISXAISA-N	00100010000010000000010000000000000000000000000000000000	22-01-152367
OC(=O)C1N(CC2C(C12)(CC)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C	PC-id_70321061	381.51	ZOLNUQGZSDOJMA-NRBFGPAYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152368
OC(=O)C1N(CC2C(C12)(CC)C)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C	PC-id_77822066	381.51	ZOLNUQGZSDOJMA-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152369
S1C2C1CC(NS(=O)(=O)c1ccccc1)C2CC=CCCCC(=O)O	PC-id_72732034	381.51	MHCZHBYADWKMCQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152370
S1[C@H]2[C@@H]1C[C@H](NS(=O)(=O)c1ccccc1)[C@H]2CC=CCCCC(=O)O	PC-id_14507212	381.51	MHCZHBYADWKMCQ-MUQADHOPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152371
S1[C@@H]2[C@H]1C[C@H](NS(=O)(=O)c1ccccc1)[C@H]2CC=CCCCC(=O)O	PC-id_54072046	381.51	MHCZHBYADWKMCQ-HPFXQQBRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152372
S1[C@@H]2[C@H]1C[C@@H](NS(=O)(=O)c1ccccc1)[C@H]2CC=CCCCC(=O)O	PC-id_54072047	381.51	MHCZHBYADWKMCQ-KONPQCLYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152373
O=C(C1CCC(CC1)NC(=O)C1CC1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319832564	381.511	DQTDKMLYJUKMJC-HNZUOSPBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152374
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_320205492,MCULE-1949208314	381.511	TTYFYEDYYLKCIC-KOVVAJLHSA-N	00100010000010110000110000000000000000000000000000000000	22-01-152375
OC(C(=O)NC1C2C1CN(C2)CC1=CNCC1)(C1CCCC1)c1ccccc1	PC-id_85080821	381.511	BQWJNENAFRCDAA-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-152376
OC(C(=O)NC1[C@@H]2[C@H]1CN(C2)CC1=CNCC1)(C1CCCC1)c1ccccc1	PC-id_9977149	381.511	BQWJNENAFRCDAA-CVFDLSLPSA-N	00100011000000110000010000000000000000000000000000000000	22-01-152377
O=C(N1CCN(CC1)C)C1C2C1CN(C2)Cc1ccc(cc1)C#CC(O)(C)C	PC-id_76423264	381.511	OSWKXTOYMHLDJI-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-152378
O=C(N1CCN(CC1)C)C1[C@@H]2[C@H]1CN(C2)Cc1ccc(cc1)C#CC(O)(C)C	PC-id_56883960	381.511	OSWKXTOYMHLDJI-WCRBZPEASA-N	00100010000010110001010000000000000000000000000000000000	22-01-152379
NC1=NC2(C(C(=C1)Cc1ccccc1)C2)NC/C=CC=C/C(=C)c1ccccc1	PC-id_145186142	381.513	YVWROBZBZORRJR-GGXLTUIBSA-N	00100000000011110000010000000000000000000000000000000000	22-01-152380
CCSC1CC(=O)N(C1=O)CC(=O)COC1C2C1CCCCCCCC2	PC-id_139494420,SCHEMBL21363094	381.529	MYJCWFDVLKBUBY-UHFFFAOYSA-N	00100010000000000100010000000000000000000000000000000000	22-01-152381
C1CN2C(O2)(CC1O)/C(=C(/CCc1ccccc1)CS)/Cc1ccccc1	SCHEMBL20668074,PC-id_137432033	381.531	UDRLOXZJWZUJGX-XDOYNYLZSA-N	00100000000010110001010000000000000000000000000000000000	22-01-152382
Cc1ccc(cc1)S(=O)(=O)N(CC=C1[C@H]2[C@@H]1CCC2)[C@H](C)c1ccccc1	PC-id_134864367	381.531	ZVXREOZTKZVZEW-QIJUGHKUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152383
Cc1ccc(cc1)S(=O)(=O)N([C@@H](c1ccccc1)C)CC=C1C2C1CCC2	PC-id_101490382	381.531	ZVXREOZTKZVZEW-OSFYOIPJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152384
OC(COc1ncc(s1)C(=O)NCCC12CCCC2C1)CNC(C)(C)C	SCHEMBL11719026,PC-id_21392723	381.533	DKCJAIDLURFSQW-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-152385
OC(COc1ncc(s1)C(=O)NCCCC12CCCC2C1)CNC(C)C	SCHEMBL11720001,PC-id_21392697	381.533	KSGFRUHETYLYIF-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-152386
CC/C=CCCCN1CC2C(C1)C2CNc1ccc(nn1)/C(=C(/C=NC)C)/C	PC-id_142527992	381.558	LTYTXTIFZKFLIC-JWMVLCFZSA-N	00100010000000100001010000000000000000000000000000000000	22-01-152387
CCCCC(C(CC(=O)N1C(CC2C1C2)C(C(C)C)OC)OC)C(CC)C	PC-id_145135233	381.592	MTTDDJGDWXXQPC-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152388
[Si](O[Si](c1ccccc1)c1ccccc1)(CCC1CC2OC2CC1)(C)C	PC-id_59031785	381.635	UCUCZNGVQZBPPQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152389
CCCCCCCCCCCCC/C=C
/CCC[C@@H]2[C@H]1N2Cc1ccccc1	CHEMBL403416	381.637	RUCDWMJXGOHTDZ-OITHXNHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152390
N1(C2C1C(=CCCCCCCCCCCCCC)CCC2)Cc1ccccc1	PC-id_24936575	381.637	RUCDWMJXGOHTDZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152391
N1([C@H]2[C@@H]1C(=CCCCCCCCCCCCCC)CCC2)Cc1ccccc1	PC-id_44446340	381.637	RUCDWMJXGOHTDZ-ANUFDVCNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152392
Brc1c(OC)c(S(=O)(=O)NC2C3C2CNC3)cc(Cl)c1	PC-id_43597401	381.673	OEUYMKOSGPAWOW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152393
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl	EMOLS-id_112095590	381.798	JEEDWZYUUHWFIB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152394
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F	EMOLS-id_112095467	381.798	KJQKBIVNJVMYPI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152395
C1[C@@H](N(C(=O)O1)C(=O)/C=C/C1CC(C2(C1C2F)Cl)F)Cc1ccccc1	PC-id_134202401,SCHEMBL19806270	381.801	MZRHAWLOFPDVGD-YWZBZNHISA-N	00100010000010110001010000000000000000000000000000000000	22-01-152396
OC1CCN(C1)CCN(C1CCC2C1C2)C(=O)Nc1ccc(c(c1)Cl)F	PC-id_142251337	381.872	IUCZCZIRZXEMNK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152397
Clc1ccc(cc1)S(=O)(=O)C1(CCCC1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111161497	381.917	PRMLEUAYVLXLLS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152398
Cc1nc(co1)C=C(C1CC2C(O2)CCCCCCCCCCCO1)Cl	PC-id_90810237	381.937	ZVGZGCZFLAMHDR-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-152399
CN(C1CCC(CC1)/C(=C/1C2C1=CC(=[N+](C)C)C=C2)/C1=C(Cl)C=C=CC1)C	SCHEMBL20317359,PC-id_135167641	381.961	FEGCIQZJZYTIOG-VHXPQNKSSA-N	00100000000011000000010000000000000000000000000000000000	22-01-152400
CC1C2C1C(NC2)(C)[I-]C3=CC=C(C=C3)C(F)(F)F	PC-id_165057247	382.029	OYUXARJHWZDYDX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152401
C1CC2C(O2)CC1N[I-]ON(C1CCC2C(C1)O2)[O-]	PC-id_163785080	382.04	BUJARHSICVXFSY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152402
BrC1(Br)C2C1N(C(=O)C(N=C)CC2)CC(=O)OC	PC-id_53698211	382.048	BSARSRILNWEGFG-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-152403
ClC(Cl)(SNC(=O)C1CC2OC2CC1C(=O)N)C(Cl)Cl	PC-id_134789	382.091	KFLVJYMNTQYQHJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152404
C[C@]1(C(O[C@H](C(C1O)O)O)CO)OC1=C([C@H]2C(C2(C(O1)CS)O)O)O	PC-id_163554106	382.093	FLNZZLGVBWXFLF-GSZMGALNSA-N	00100000000011000000010000000000000000000000000000000000	22-01-152405
CN(C)CC12CC(NC1C2)C(=O)NC3=C(C=CC(=N3)Br)COC	PC-id_153456800	382.1	MRDDTQAUJCTAJI-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152406
C=C1[C@@H]2[C@@H](C2(C(C1O)F)OC(=O)c1ccccc1)COC(=O)c1ccccc1	PC-id_164128444	382.122	YLOQJJVMUIRMCC-AUAROYTFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152407
CC(Oc1cccc(c1)C(=O)C1C[C@@H]2CC2=C(C=C1)/C=C/c1ccco1)(F)F	PC-id_164016811	382.138	UVZKFJGRTBLJCA-CFLHNQCXSA-N	00100000101000110110010000000000000000000000000000000000	22-01-152408
IC12C(C1)(C(=O)OC2CC(=O)OCC)C(=O)OCC	PC-id_73016338	382.148	IRURXKKJWQPYOP-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152409
I[C@@]12[C@@](C1)(C(=O)O[C@H]2CC(=O)OCC)C(=O)OCC	PC-id_11574489	382.148	IRURXKKJWQPYOP-BPTDKIDVSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152410
CN1[C@H]2[C@H]([C@H]2C(=O)[O-])CC[C@@H](C1=O)NC(=O)C3=NN(C=N3)CC4=CC=CC=C4	PC-id_154506621	382.152	XFOOTZMLBFJNLL-XQLPTFJDSA-M	00100000100000110101010000000000000000000000000000000000	22-01-152411
CN1[C@@H]2[C@@H]([C@@H]2C(=O)[O-])CC[C@@H](C1=O)NC(=O)C3=NN(C=N3)CC4=CC=CC=C4	PC-id_154506622	382.152	XFOOTZMLBFJNLL-CBBWQLFWSA-M	00100000100000110101010000000000000000000000000000000000	22-01-152412
CC(=O)OCC(COC(=O)C1CCCC2C1O2)OC(=O)C3CCCC4C3O4	PC-id_153852778	382.163	AVMWFDQYKKBMHX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152413
CC(=O)C[C@]12CCCC1(C2)C(=O)NC3=NC=CC(=C3)C4=C(C=C(C=C4)F)OC	PC-id_161333209	382.169	VLRPKYQPSLPBSL-HMTLIYDFSA-N	00100010000010111000110000000000000000000000000000000000	22-01-152414
COCCC1C2C1(OC(=C2OCc1ccccc1)COCc1ccccc1)O	PC-id_163711640	382.178	KJTMBNPILUYPGZ-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-152415
CC1=CC(=C(C=C1)NCCCNC(=O)N2CCC3(C(C2)C3(F)F)C)[N+](=O)[O-]	PC-id_154800517	382.182	UJYKJIAFRFKWKG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152416
CCC(C)N1C[C@@H]2[C@H](C1)C2C(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F	PC-id_160079439	382.187	ORSWURYZDZTSPH-HBQLNRMCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152417
C1C(C(CC2C1O2)C(=O)OCCCCCC=O)C(=O)OCCCCCC=O	PC-id_153458827	382.199	FMPLFQFBTRCXIH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152418
CC1(CCC2C(C1)O2)C(=O)OCCOCCOC(=O)C3(CCC4C(C3)O4)C	PC-id_154123986	382.199	SLBYAVDWXWDQRW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152419
CC1=CC(=CC=C1)[C@H](C)N2C(=CC(=N2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3CC(C4)O	PC-id_147897121	382.2	IDNHPVHPMREEMB-BOILEMQGSA-N	00100010100010110001010000000000000000000000000000000000	22-01-152420
CC[C@@H](C1=CC=CC=C1)N2C(=CC(=N2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3CC(C4)O	PC-id_153297978	382.2	IJYJMCWPKOTBOP-BVYYSILGSA-N	00100010100010110001010000000000000000000000000000000000	22-01-152421
CCN(C)C(=O)N1C[C@@H]2[C@H](C1)C2C(=O)N[C@H]3CCN(C3)C4=C(C=CC=N4)C#N	PC-id_164611121	382.212	POQSTGUDHHBHHP-PMRDEQMMSA-N	00100010000000101000110000000000000000000000000000000000	22-01-152422
CC12CCC(CC1O2)C(=O)OCC(C)(C)CON(C1CCC2(C(C1)O2)C)[O-]	PC-id_164148284	382.224	GJOYRUSNTKPRCX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152423
CC1=CC=C(C=C1)CC(C)/C=C(C=C(/C)C(=O)NC)/C(=O)NC2C3C2COC3	PC-id_155238166	382.226	MWGCFKGBTMLLDO-QIWNHNBFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152424
C[C@]12C[C@H]1CC(C2)OC(=O)N[C@H](C(=O)N3CC(C[C@H]3C(=O)N)[OH2+])C(C)(C)C	PC-id_149095726	382.234	QTOCVRQPEAQQOQ-CRWCRHGXSA-O	00100010000010000000010000000000000000000000000000000000	22-01-152425
C1CC2C(O2)CC1COCOCCCCCC(=O)OCC1CCC2C(C1)O2	PC-id_164093566	382.236	XIGTXCVEDQWMLM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152426
C1CC(CC2[C@@H]1O2)COCOCCCCCC(=O)OCC3CCC4[C@H](C3)O4	PC-id_155001317	382.236	XIGTXCVEDQWMLM-LQDLIACBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152427
COC(CCCCC(=O)OCC1CCC2C(C1)O2)OCC3CCC4C(C3)O4	PC-id_147596201	382.236	FZFSUHPOLGQQIS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152428
C12(CCCCC1C2C(=O)NN=Cc1ccccc1I)C	MCULE-6939050622,PC-id_4665368	382.239	GAZDXELBWDNRMI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152429
CC12CCCCC1C2C(=O)N/N=C/c1ccccc1I	PC-id_9681722,TIMTEC162508,EMOLS-id_26683021	382.239	GAZDXELBWDNRMI-VCHYOVAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152430
CC1[C@H]2C[C@H]2CN1CC#CCC(C3C=CC=CC3(C4CCCCC4)O)C(=O)[O-]	PC-id_152769489	382.239	AIMQPXJXLOMLJA-LOCCOKESSA-M	00100010000011000000110000000000000000000000000000000000	22-01-152431
Ic1c(C=NNC(=O)[C@@H]2[C@]3([C@@H]2CCCC3)C)cccc1	PC-id_40592157	382.239	GAZDXELBWDNRMI-XNRPHZJLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152432
Ic1c(C=NNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)cccc1	PC-id_40592259	382.239	GAZDXELBWDNRMI-BJJXKVORSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152433
O=C([C@@H]1[C@H]2[C@]1(C)CCCC2)N/N=C/c1ccccc1I	CoCoCo_6561775	382.239	GAZDXELBWDNRMI-BYKSNKSBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152434
O=C([C@H]1[C@H]2[C@]1(C)CCCC2)N/N=Cc1ccccc1I	CoCoCo_6561776	382.239	GAZDXELBWDNRMI-BBUILXGUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152435
O=C([C@H]1[C@H]2[C@]1(C)CCCC2)N/N=C/c1ccccc1I	CoCoCo_6561777	382.239	GAZDXELBWDNRMI-BAVRZAEBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152436
O=C([C@@H]1[C@H]2[C@]1(C)CCCC2)N/N=Cc1ccccc1I	CoCoCo_6561778	382.239	GAZDXELBWDNRMI-MHRVKRRWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152437
O=C([C@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=Cc1ccccc1I	CoCoCo_6561779	382.239	GAZDXELBWDNRMI-SZLJZLGGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152438
O=C([C@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=C/c1ccccc1I	CoCoCo_6561780	382.239	GAZDXELBWDNRMI-OSOQSIHTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152439
O=C([C@@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=Cc1ccccc1I	CoCoCo_6561781	382.239	GAZDXELBWDNRMI-JFGBEHFTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152440
O=C([C@@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=C/c1ccccc1I	CoCoCo_6561782	382.239	GAZDXELBWDNRMI-YPBBVJNLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152441
O=C([C@H]1[C@@H]2[C@]1(C)CCCC2)N/N=Cc1ccccc1I	PC-id_98070057	382.239	GAZDXELBWDNRMI-JWAZQOLWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152442
O=C([C@H]1[C@H]2[C@@]1(C)CCCC2)N/N=Cc1ccccc1I	PC-id_98070058	382.239	GAZDXELBWDNRMI-NSGLZNCSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152443
CC1([C@@H]2[C@H]1N(C(C2)C(=O)OC)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C	PC-id_154405440	382.247	WCJCYEBFOOVPEV-JLSHEFACSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152444
COc1ccc(cc1Br)C(C(=O)O)NC(=O)C1C2C1CCCC2	PC-id_121956714	382.249	VVYDNWKDTZFYRQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152445
CCCCOC(=O)N1C2CC2CC1C(=O)Nc1cccc(n1)Br	SCHEMBL18554428	382.252	WSPXBCMPGNEEOW-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152446
CC(C)(C)OC(=O)N1C2CC2CC1C(=O)Nc1nc(ccc1)Br	SCHEMBL18300996,PC-id_86673883	382.252	VACILUOHIRVKND-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152447
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(Br)n1	SCHEMBL12480907,EMOLS-id_317503559	382.252	VACILUOHIRVKND-MXWKQRLJSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152448
CC(COC(=O)N1C(CC2C1C2)C(=O)Nc1cccc(n1)Br)C	PC-id_142797138	382.252	DYONHDISEVTJKQ-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152449
O=C([C@@H]1CC2C(N1C(=O)OC(C)(C)C)C2)Nc1cccc(n1)Br	PC-id_122164809	382.252	VACILUOHIRVKND-ILDUYXDCSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152450
O=C([C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C)Nc1cccc(n1)Br	SCHEMBL18591207	382.252	XBPGPAXUBGNDOH-BREBYQMCSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152451
O=C([C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)Nc1cccc(n1)Br	SCHEMBL18591212	382.252	XBPGPAXUBGNDOH-OUJBWJOFSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152452
O=C([C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)Nc1cccc(n1)Br	SCHEMBL18591412	382.252	XBPGPAXUBGNDOH-KWBADKCTSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152453
O=C(N1C[C@@H]2[C@H](C1)C2NC(=O)c1ccc(nc1)Br)OC(C)(C)C	PC-id_145915457	382.252	ULOCDOMLJRTTKQ-QYJAPNMZSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152454
O=C(N1C[C@@H]2[C@H](C1)[C@H]2NC(=O)c1ccc(nc1)Br)OC(C)(C)C	MCULE-4915440501,EMOLS-id_323901593	382.252	ULOCDOMLJRTTKQ-PJXYFTJBSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152455
COC(=O)[C@]12C[C@]2(I)[C@](OC1=O)(CC)[Si](C)(C)C	PC-id_11516480,4020471_OpenMolecule	382.267	YXPGLZPCDHDSEO-UTUOFQBUSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152456
IC12C(C1)(C(=O)OC2([Si](C)(C)C)CC)C(=O)OC	PC-id_72991545	382.267	YXPGLZPCDHDSEO-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152457
CCCCCCCCCC/C=C/CC(=O)CC12C[C@@H]1C([C@@H](C(O2)CO)O)O	PC-id_163632703	382.272	HXMOQAMNNCVOLT-LLZXUTMVSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152458
CCCCCCCCCC/C=CCC(=O)CC12C[C@@H]1C([C@@H](C(O2)CO)O)O	PC-id_163632704	382.272	HXMOQAMNNCVOLT-ONNUZKSDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152459
CCC(CCC(C)C)COC(=O)CCCCC(=O)OCC1CCC2C(C1)O2	PC-id_154981056	382.272	CWLNWPVBOKUVGF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152460
CCCCCCOC(=O)C1CC2(C(O2)(CC1C(=O)OCCCCCC)C)C	PC-id_154385593	382.272	NOIRIEHDYRHANN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152461
OCCN1C2C(C2=Nc2ccc(cn2)Br)SC(=C1C)C(=O)C	PC-id_143796089	382.275	CMJJRMWQILYWOR-UHFFFAOYSA-N	00100000000011101001010000000000000000000000000000000000	22-01-152462
O=C(N1CCN(CC1)C(=O)c1cccc(c1Cl)Cl)NC1CC2C(C1)C2	EMOLS-id_102213784	382.284	NVKCJLQVMXCXDG-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-152463
O=C(N1CCN(CC1)C(=O)c1cc(Cl)cc(c1)Cl)NC1CC2C(C1)C2	EMOLS-id_102213727	382.284	GJIIDFKGUVHPIL-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-152464
O=C(N1CCN(CC1)C(=O)c1c(Cl)cccc1Cl)NC1CC2C(C1)C2	EMOLS-id_102213649	382.284	GJZNCYHGPFPMAN-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-152465
CCC1CC(=O)C(C1=O)CC1(C2C1C2(CC)CCC1C(=C)CCC/C/1=CC)C	PC-id_163552971	382.287	FKPUDWMKUODBGJ-UBKPWBPPSA-N	00101010000010000000010000000000000000000000000000000000	22-01-152466
CC(C)(C)C12CN(CC1C2COC)C(=O)Oc1ccc(cc1)Br	PC-id_90995000	382.292	JNHCUSVGURUJAB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152467
CC12CCC(CC1(O2)C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O	PC-id_89799242,SCHEMBL15250465	382.301	PLDCJIZGLHQGQA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152468
Clc1c(c2sc(nc2C(=O)N2C3C(C3)CC2CN)C)cccc1Cl	PC-id_77223086	382.307	PLQHTLOAZNLRAD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152469
Clc1c(c2sc(nc2C(=O)N2C(C3C(C3)C2)CN)C)cccc1Cl	PC-id_77530719	382.307	FVLAPYFZHPKQMZ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152470
Clc1c(c2sc(nc2C(=O)N2[C@@H]3[C@@H](C3)C[C@H]2CN)C)cccc1Cl	SCHEMBL1572657,PC-id_67081664	382.307	PLQHTLOAZNLRAD-NRUUGDAUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152471
Clc1c(c2sc(nc2C(=O)N2[C@@H]([C@@H]3[C@@H](C3)C2)CN)C)cccc1Cl	PC-id_68633075,SCHEMBL3413236	382.307	FVLAPYFZHPKQMZ-XHVZSJERSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152472
Clc1cc(c2sc(nc2C(=O)N2C3C(C3)CC2CN)C)ccc1Cl	PC-id_77223076	382.307	HCIYETLPKDVYKJ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152473
Clc1cc(c2sc(nc2C(=O)N2C(C3C(C3)C2)CN)C)ccc1Cl	PC-id_77530788	382.307	UZAKJXRWEGNYEM-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152474
Clc1cc(c2sc(nc2C(=O)N2[C@@H]3[C@@H](C3)C[C@H]2CN)C)ccc1Cl	SCHEMBL1572619,PC-id_67081641	382.307	HCIYETLPKDVYKJ-SUNKGSAMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152475
Clc1cc(c2sc(nc2C(=O)N2[C@@H]([C@@H]3[C@@H](C3)C2)CN)C)ccc1Cl	SCHEMBL3414370,PC-id_68633481	382.307	UZAKJXRWEGNYEM-COPLHBTASA-N	00100010100000110001110000000000000000000000000000000000	22-01-152476
CCC(C(C1(F)CC2C(C(C1(F)F)(O)C(F)(F)F)C2(C)C)(F)F)(C)C	SCHEMBL17875550,PC-id_121441281	382.333	ZJLDXKNLIBAXQN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152477
NCC(=O)C12C(C1C(=O)O)CC(C2C#N)Cc1ccc(cc1)OC(F)(F)F	PC-id_140989719	382.334	VAKXFDHFWPCGLO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152478
OC(=O)OC1[C@@H](F)C[C@@H]2[C@@]1([C@H]2OC(=O)O)[C@](C(=O)N)(Cc1ccccc1)N	SCHEMBL19178324	382.34	GWGOBWIVUMKXQE-MTFHRHEPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152479
C1C2C(C2CNCc2cc(ccc2)OC(F)(F)F)CN1CCC(F)(F)F	PC-id_87847890,SCHEMBL5515777	382.344	CPPALANQWUWEPK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152480
CN1CC2[C@@](C1=O)(C2)C#Cc1cc(ccc1F)c1nc(C(=O)N)c(cc1F)N	SCHEMBL19173367	382.363	DYFYPNZXSKOEBE-UDRWWJRQSA-N	00100010000000111000110000000000000000000000000000000000	22-01-152481
C1C2C(C2Nc2nc(nc(n2)Nc2cc(cnc2)F)c2ccccc2F)CO1	PC-id_89684194,SCHEMBL18186744	382.367	LBIUVESPILMBBW-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152482
C1C2C(C2Nc2nc(nc(n2)Nc2cc(ncc2)F)c2ccccc2F)CO1	SCHEMBL18186732,PC-id_89684208	382.367	IGHOZMXSJFSJTP-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152483
C1C2C(C2Nc2nc(nc(n2)Nc2cnc(cc2)F)c2ccccc2F)CO1	SCHEMBL18186737,PC-id_89684192	382.367	BSKUXRWAQXKNKV-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152484
Fc1ccc(cn1)Nc1nc(NC2C3[C@@H]2COC3)nc(n1)c1ccccc1F	PC-id_145606205	382.367	BSKUXRWAQXKNKV-FUJMWEONSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152485
Fc1ccc(cn1)Nc1nc(NC2[C@@H]3[C@H]2COC3)nc(n1)c1ccccc1F	SCHEMBL15102603	382.367	BSKUXRWAQXKNKV-OCZCAGDBSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152486
Fc1cncc(c1)Nc1nc(NC2[C@@H]3[C@H]2COC3)nc(n1)c1ccccc1F	SCHEMBL15102605	382.367	LBIUVESPILMBBW-MZBDJJRSSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152487
Fc1nccc(c1)Nc1nc(NC2[C@@H]3[C@H]2COC3)nc(n1)c1ccccc1F	SCHEMBL15102621	382.367	IGHOZMXSJFSJTP-OCZCAGDBSA-N	00100010000000111001110000000000000000000000000000000000	22-01-152488
O1C2(C1C=CC(C2C)C)C(=O)c1c(onc1OCc1ccccc1)CN(C)C	PC-id_76655976	382.453	ZURQJHUIYZCXDK-UHFFFAOYSA-N	00100000100011110001010000000000000000000000000000000000	22-01-152567
C[C@@H](C(F)(F)F)Oc1cc(ncc1C1CC1)C(=O)NC1(C)CC(=C2C1C2)O	SCHEMBL19223710	382.377	YFYVREOZDXXJMQ-BSSHVPHBSA-N	00100011000000101000110000000000000000000000000000000000	22-01-152489
O=C1NCCC(C1)NC(=O)c1cc(ccc1OC1C[C@@H]2[C@H](C1)C2)C(F)(F)F	BindingDB_PC-id_112500189,PC-id_112500189	382.377	XTJPZXZYYGWLRK-WHCAJBEMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152490
O=C1NCCC(C1)NC(=O)c1ccc(cc1OC1C[C@@H]2[C@H](C1)C2)C(F)(F)F	PC-id_112500179,BindingDB_PC-id_112500179	382.377	KWKOITOGXHMQSD-WHCAJBEMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152491
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1cc(C)c(c(c1)S(=O)(=O)N)C	MCULE-1828662938,EMOLS-id_317491343,PC-id_137340456,ZINC22_1772705559	382.388	XTWBHZZQHWZZSF-IYBDPMFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152492
O=C([C@H](Cc1ccccc1)N)N[C@]1(CS(=O)(=O)[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)O	SCHEMBL11938733,PC-id_59712937	382.388	LOISCYRRWCQXRD-ODSPTNCSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152493
S1(=O)(=O)C2C(C2C(=O)O)C(NC(=O)C(N)Cc2ccccc2)(C1)C(=O)O	PC-id_72365638	382.388	LOISCYRRWCQXRD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152494
CN(NN1c2c1cccc2)CCc1ncc(o1)C(=O)NCc1ncccc1F	SCHEMBL18792215	382.392	YRHXFTDTMFBJOI-UHFFFAOYSA-N	00100000100000101001010000000000000000000000000000000000	22-01-152495
O=C(c1csc(Cc2cccc(C(F)(F)F)c2)n1)N1CC[C@@]2(O)C[C@H]2C1	EMOLS-id_324013194,MCULE-8537988535,PC-id_146109400,ZINC22_825362473	382.4	MMHAAYMMAWFDAH-SUMWQHHRSA-N	00100000100010110001010000000000000000000000000000000000	22-01-152496
OCc1cc(OCCCCC2OC(C)C3C(C2O)O3)cc(c1)OCC(=O)O	PC-id_141906255	382.405	BVMUPELNNHFLRY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152497
O=C(O)c1cn(CC[C@H]2CCCCN2C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)nn1	ZINC22_2325770968	382.405	BINZPLAGTCMQDQ-YIYPIFLZSA-N	00100000100010000001010000000000000000000000000000000000	22-01-152498
O=C(O)c1cn(CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)nn1	ZINC22_2325770969	382.405	BINZPLAGTCMQDQ-ZOBORPQBSA-N	00100000100010000001010000000000000000000000000000000000	22-01-152499
Cc1ccc(cc1)C(=O)OCC1C(C2(C(O1)O2)C)OC(=O)c1ccc(cc1)C	PC-id_87617309	382.406	ZOJWBRDFEZHNTI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152500
Cc1ccc(cc1)C(=O)OC[C@H]1O[C@@H]2[C@@]([C@@H]1OC(=O)c1ccc(cc1)C)(O2)C	SCHEMBL4073482	382.406	ZOJWBRDFEZHNTI-RPHTVSPISA-N	00100010000000110000010000000000000000000000000000000000	22-01-152501
O1C2C1C(O)CC(C2C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	PC-id_85402865	382.406	VLTLTGIAPIQPSV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152502
O1[C@]2([C@@H]1O[C@@H]([C@H]2OC(=O)c1ccc(cc1)C)COC(=O)c1ccc(cc1)C)C	PC-id_11361046	382.406	ZOJWBRDFEZHNTI-MCEIDBOGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152503
O1[C@@H]2[C@H]1[C@H](O)C[C@H]([C@@H]2C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	PC-id_11111732	382.406	VLTLTGIAPIQPSV-OBKDMQGPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152504
O=C(OC1(C)CC2C(CC1OC)C2(C)C)c1cc(cc(c1)[NH+]([O-])O)[NH+]([O-])O	CNP0448568	382.408	HRHZDLOTHSOORB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152505
CC(C)CC(C(=O)NC1(c2c1occ2)C(=C=O)Cc1ccccc1)NC(=O)O	PC-id_87997095	382.41	SGRNLJOIXHKPDU-UHFFFAOYSA-N	00100000100000110000010000000000000000000000000000000000	22-01-152506
C[C@H](c1ccccc1)N1C[C@@H]2[C@H](C1)[C@H]2COC(=O)Oc1ccc(cc1)[N+](=O)[O-]	SCHEMBL18517362	382.41	WKZAKGYFRGUZRT-FCDRMGDPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152507
Cc1ccc(cc1)S(=O)(=O)N1CC2CC2CC1CNc1ncc(cc1)C#N	PC-id_87519759	382.479	CKVZGQIBHSUVDI-UHFFFAOYSA-N	00100000000010111000010000000000000000000000000000000000	22-01-152588
O=C=C([C@]1(NC(=O)C(NC(=O)O)CC(C)C)c2c1cco2)Cc1ccccc1	SCHEMBL6468642	382.41	SGRNLJOIXHKPDU-FBLFFUNLSA-N	00100000100000110000010000000000000000000000000000000000	22-01-152508
CCC1C(C2C(C2(C1(C(=O)O)NC(=O)OC(C)(C)C)CC)C(=O)O)[N-][N+]#N	PC-id_90706012,SCHEMBL6789081	382.412	ANWULNPKDMCHRN-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-152509
CCC1(C(C2C(C2C1(C(=O)O)NC(=O)OC(C)(C)C)C(=O)O)[N-][N+]#N)CC	PC-id_91146807	382.412	GPWUYMNGHPWRFG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-152510
O(C(=O)C1C2C1C(N=[N+]=[N-])CC2(NC(=O)OC(C)(C)C)C(=O)OCC)CC	PC-id_54496301	382.412	XZIYCWDZDFETOU-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-152511
O(C(=O)[C@H]1[C@@H]2[C@@H]1[C@@H]([N-][N+]#N)C[C@]2(NC(=O)OC(C)(C)C)C(=O)OCC)CC	PC-id_57037169	382.412	XZIYCWDZDFETOU-PZISXKGQSA-N	00100010000010000000010000000000000000000000000000000000	22-01-152512
FC(F)(F)c1cc(C(=O)NCC2C3C2CN(C3)CC2(O)CCCC2)ccc1	SCHEMBL5512687,PC-id_69470899	382.42	DOZMOEVXOPPCHP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152513
FC(F)(F)Oc1cc(C(=O)NCC2C3C2CN(C3)CC2CCCC2)ccc1	PC-id_68777168,SCHEMBL3763868	382.42	FMBYYBQQNNUIBM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152514
Fc1ccc(cc1)CN1C(=O)CN(C2C1C2COCc1ccccc1)C(=O)C	SCHEMBL3904597,PC-id_68832696	382.428	IMNUWXJQHVWZMD-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-152515
Fc1ccc(cc1)CN1C(=O)CN([C@@H]2[C@H]1[C@H]2COCc1ccccc1)C(=O)C	PC-id_57634652,SCHEMBL13868448	382.428	IMNUWXJQHVWZMD-ILWGZMRPSA-N	00100000000010110001010000000000000000000000000000000000	22-01-152516
CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@@H]2CCN(C)S3(=O)=O)cc1	PC-id_100784039,ZINC22_225953217	382.431	VTCCJXRXUHWVLG-YVEFUNNKSA-N	00100000000010110001010000000000000000000000000000000000	22-01-152517
CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@@H]2CCN(C)S3(=O)=O)cc1	ZINC22_225953237,PC-id_100784041	382.431	VTCCJXRXUHWVLG-SJCJKPOMSA-N	00100000000010110001010000000000000000000000000000000000	22-01-152518
CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)cc1	ZINC22_260840495	382.431	VTCCJXRXUHWVLG-PXAZEXFGSA-N	00100000000010110001010000000000000000000000000000000000	22-01-152519
CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@H]2CCN(C)S3(=O)=O)cc1	ZINC22_260840500	382.431	VTCCJXRXUHWVLG-SJKOYZFVSA-N	00100000000010110001010000000000000000000000000000000000	22-01-152520
O=C(C1CCCN1S(=O)(=O)c1ccc(o1)C(=O)O)N1CC2C(C1)C2(C)C	PC-id_119186669,EMOLS-id_72252866,MCULE-7915386717	382.431	ABIZYOMYNHSBCG-UHFFFAOYSA-N	00100010101000000000010000000000000000000000000000000000	22-01-152521
P(=O)(OCC=C(C=CC=C(C=CC12OC1(CCCC2(C)C)C)C)C)(O)O	PC-id_196155	382.431	IDQSQYLJIKGXBX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152522
P(=O)(OC/C=C(/C=C/C=C(/C=C/C12OC1(CCCC2(C)C)C)C)C)(O)O	PC-id_6444067	382.431	IDQSQYLJIKGXBX-JVSJJYLASA-N	00100000000010000000010000000000000000000000000000000000	22-01-152523
C[C@H]1C2C1C(C(=O)N2C)(O)C#Cc1cccc(c1)c1sc(c(n1)C(=O)N)N	PC-id_134295373,SCHEMBL19912178	382.436	HCGWRJZNYGVYIY-IDSNOSNOSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152524
C[C@H]1[C@@H]2[C@H]1[C@@](C(=O)N2C)(O)C#Cc1cccc(c1)c1sc(c(n1)C(=O)N)N	PC-id_134295370,SCHEMBL19912175	382.436	HCGWRJZNYGVYIY-CMTCJSRUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-152525
CC(=O)N1CCN(C(=O)CN2CCN(c3cnn(C)c3)S2(=O)=O)[C@H]2C[C@H]12	ZINC22_2325878629	382.438	WNQQDTAPUKRNIA-KBPBESRZSA-N	00100010100010000001110000000000000000000000000000000000	22-01-152526
CCCCCCCOC(=O)C1C2OC2CCC1C(=O)OCCCCCCC	PC-id_101310483	382.534	OCCUDNAQUKFIJX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152650
CC(=O)N1CCN(C(=O)CN2CCN(c3cnn(C)c3)S2(=O)=O)[C@H]2C[C@@H]12	ZINC22_2325878630	382.438	WNQQDTAPUKRNIA-KGLIPLIRSA-N	00100010100010000001110000000000000000000000000000000000	22-01-152527
CC(=O)N1CCN(C(=O)CN2CCN(c3cnn(C)c3)S2(=O)=O)[C@@H]2C[C@H]12	ZINC22_2325878631	382.438	WNQQDTAPUKRNIA-UONOGXRCSA-N	00100010100010000001110000000000000000000000000000000000	22-01-152528
CC(=O)N1CCN(C(=O)CN2CCN(c3cnn(C)c3)S2(=O)=O)[C@@H]2C[C@@H]12	ZINC22_2325878632	382.438	WNQQDTAPUKRNIA-ZIAGYGMSSA-N	00100010100010000001110000000000000000000000000000000000	22-01-152529
CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CN3CCN(c4cnn(C)c4)S3(=O)=O)[C@@H]12	ZINC22_2325878735	382.438	ZXYNULLJUIQPJO-BPLDGKMQSA-N	00100010100000000001110000000000000000000000000000000000	22-01-152530
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C1(CC2(C(CC1Br)(C)N2C(=O)OC(C)(C)C)C)Br	MCULE-6097699151,PC-id_90487000	383.119	KVQHWEOFWCKLPY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152782
CC/C(=CF)/COc1ncc(cc1)S(=O)(=O)N1C[C@@H]2[C@H](C1)C2C(=O)NC	PC-id_163539723	383.132	OBWBMMIOYDZVTJ-GGTQVXBASA-N	00100010000000101000010000000000000000000000000000000000	22-01-152783
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C1CCCC2C(C2COC(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)O)CC1	PC-id_152857121	383.206	TWUHCXHUUQCNHG-XOZUOACSSA-N	00100000000000000100010000000000000000000000000000000000	22-01-152793
CC(=O)OC1=C(C(=C(C=C1)OC)C2CCCC2CC#CCN3C[C@H]4C[C@H]4C3)O	PC-id_151157078	383.21	MZLRRKRZNXCXLP-FXSDRFNOSA-N	00100010000000110000110000000000000000000000000000000000	22-01-152794
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CC12CCC(CC1O2)C(=O)OCC(C)(C)CO[NH+](C1CCC2(C(C1)O2)C)[O-]	PC-id_164148283	383.231	ZCJOZEWRFAXKNJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152797
CCC(CN1CC2C(C1)C2C[N-]CC3=CC(=CC=C3)OC(F)(F)F)C(C)C	PC-id_154495129	383.232	YBFXVAQNLDJMNQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152798
CC(C)(C)OC(=O)N1C2CC2CC1C(=O)Nc1cncc(n1)Br	PC-id_90019444	383.24	BJZJYXWICXIZNM-UHFFFAOYSA-N	00100010000000100001010000000000000000000000000000000000	22-01-152799
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CCOC(=O)C(C1CC2C(C1)C2(F)F)N=C(c1ccccc1)c1ccccc1	PC-id_76806069,SCHEMBL18526652	383.431	NCNVFQYIYKPLDB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152866
CCOC(=O)C(C1CC2[C@H](C1)C2(F)F)N=C(c1ccccc1)c1ccccc1	SCHEMBL19414449	383.431	NCNVFQYIYKPLDB-PWWBFRNWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152867
CCOC(=O)C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N=C(c1ccccc1)c1ccccc1	SCHEMBL10211861	383.431	NCNVFQYIYKPLDB-QHUCILSMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152868
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O1C2C1C(OCC2NC(Cc1ccccc1)C(=O)OC)OCc1ccccc1	PC-id_13628554	383.438	DMVJSGXVJCOWNB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152870
O1C2C1C(OCC2NC(C)C(=O)OCc1ccccc1)OCc1ccccc1	PC-id_14131697	383.438	YNIKMDCRTLKDAD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152871
O1CC2N(C2C(O)C1OCc1ccccc1)C(C)C(=O)OCc1ccccc1	PC-id_13823223	383.438	PANAHMDYDNMTKG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152872
O1C[C@@H]2N([C@@H]2[C@@H](O)[C@H]1OCc1ccccc1)[C@@H](C)C(=O)OCc1ccccc1	PC-id_13823224	383.438	PANAHMDYDNMTKG-YHUIIHKLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152873
O1[C@H]2[C@@H]1[C@H](OC[C@@H]2N[C@@H](Cc1ccccc1)C(=O)OC)OCc1ccccc1	PC-id_21668327	383.438	DMVJSGXVJCOWNB-WXOXAHCZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152874
O1[C@@H]2[C@H]1[C@H](OC[C@H]2N[C@@H](Cc1ccccc1)C(=O)OC)OCc1ccccc1	PC-id_21668333	383.438	DMVJSGXVJCOWNB-XCRACJGTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152875
O1[C@@H]2[C@H]1[C@H](OC[C@@H]2N[C@@H](C)C(=O)OCc1ccccc1)OCc1ccccc1	PC-id_14131698	383.438	YNIKMDCRTLKDAD-BTAJCFKJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152876
O1[C@H]2[C@@H]1[C@H](OC[C@@H]2N[C@@H](C)C(=O)OCc1ccccc1)OCc1ccccc1	PC-id_14131699	383.438	YNIKMDCRTLKDAD-SYWSCZAWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152877
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COC(=O)CNC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)CNC(=O)OC(C)(C)C	PC-id_70265344,SCHEMBL8054446	383.439	LEHJRZYHHKAUCQ-BPNCWPANSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152880
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Cc1cc(c(cc1)Oc1ncc(cc1)NC(=O)NC12CC1COC2(C)C)OC	MCULE-1978679907,EMOLS-id_316970264,PC-id_136554938	383.441	JZLNLPFYEPHWQX-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152882
CNC(c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)Cc1ccccc1OC)O	SCHEMBL19448733	383.441	HTIABXUJAADWNC-ILWMSRGYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152883
COc1ccc(cc1OCc1ccncc1)NC(=O)NC12CC1COC2(C)C	MCULE-8802795367,EMOLS-id_316968982	383.441	NLDPFOWJNMEGBK-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152884
COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@]23C[C@H]2COC3(C)C)cn1	ZINC22_528912613	383.441	JZLNLPFYEPHWQX-LHSJRXKWSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152885
COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@@]23C[C@H]2COC3(C)C)cn1	ZINC22_528912616	383.441	JZLNLPFYEPHWQX-QKKBWIMNSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152886
COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)cn1	ZINC22_528912619	383.441	JZLNLPFYEPHWQX-SPLOXXLWSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152887
COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)cn1	ZINC22_528912621	383.441	JZLNLPFYEPHWQX-SZNDQCEHSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152888
COc1ccc(NC(=O)N[C@@]23C[C@H]2COC3(C)C)cc1OCc1ccncc1	ZINC22_528895352	383.441	NLDPFOWJNMEGBK-BTYIYWSLSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152889
COc1ccc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)cc1OCc1ccncc1	ZINC22_528895354	383.441	NLDPFOWJNMEGBK-QVKFZJNVSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152890
COc1ccc(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)cc1OCc1ccncc1	ZINC22_528895356	383.441	NLDPFOWJNMEGBK-VFNWGFHPSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152891
COc1ccc(NC(=O)N[C@]23C[C@H]2COC3(C)C)cc1OCc1ccncc1	ZINC22_528895360	383.441	NLDPFOWJNMEGBK-YCRPNKLZSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152892
CCOC(=O)NC(=NC[C@@H]1[C@@H]2[C@H]1[C@H](NC2)C(=O)NCC(=O)O)NC(C)(C)C	PC-id_101133090	383.443	SVOPLACBFFIZCJ-WFFHOREQSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152893
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O(C(=O)N1CC2C(C2Nc2n(c(=O)cc(n2)c2ccncc2)C)C1)C(C)(C)C	PC-id_72330963	383.444	SEVKTFYCBBZRPI-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-152896
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O=C(C[C@]12CCCC[C@H]1C2(F)F)N1[C@H](Cc2ccccc2)CCS1(=O)=O	ZINC22_1875393654	383.453	JGOCIAXBOITUQB-LZLYRXPVSA-N	00100010000010110001010000000000000000000000000000000000	22-01-152899
O=C(C[C@]12CCCC[C@@H]1C2(F)F)N1[C@@H](Cc2ccccc2)CCS1(=O)=O	ZINC22_1875393655	383.453	JGOCIAXBOITUQB-SOLBZPMBSA-N	00100010000010110001010000000000000000000000000000000000	22-01-152900
O=C(C[C@]12CCCC[C@@H]1C2(F)F)N1[C@H](Cc2ccccc2)CCS1(=O)=O	ZINC22_1875393656	383.453	JGOCIAXBOITUQB-XYJFISCASA-N	00100010000010110001010000000000000000000000000000000000	22-01-152901
O(C(=O)C1N(CC2C1C2(C)C)C(=O)C(CCCO)CC(=O)OC(C)(C)C)C	PC-id_76756068	383.479	FDAAQHLJTVIHCC-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152902
O(C(=O)[C@H]1N(CC2[C@@H]1C2(C)C)C(=O)[C@H](CCCO)CC(=O)OC(C)(C)C)C	PC-id_58311226	383.479	FDAAQHLJTVIHCC-GEGQUWTFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-152903
C=CCC=C[C@@]12C[C@H](N([C@@H]1C2)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	PC-id_142420814	383.481	NSGMHKFLKAHWHI-YYDVJCTNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152904
COc1ccc(cc1)C(C(=O)O)(C1CCCC1)OCC#CCN1C[C@@H]2[C@H](C1)C2	SCHEMBL4632995,PC-id_69121087	383.481	YPSOYGSRKWCRGW-NHJWOMDBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152905
COc1ccc(cc1)C(C(=O)OCC#CCN1C[C@@H]2[C@H](C1)C2)(C1CCCC1)O	PC-id_69121086,SCHEMBL4632992	383.481	FVUJGTUMLXJKBD-NHJWOMDBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152906
COc1ccc(C(O)(C(=O)OCC#CCN2CC3CC3C2)C2CCCC2)cc1	CHEMBL190459,PC-id_44400218,BindingDB_PC-id_44400218	383.481	FVUJGTUMLXJKBD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152907
NC([C@H]1COC([C@]2([C@@]1(O)C2(C)C)O)OCc1ccccc1)Cc1ccccc1	PC-id_68637498,SCHEMBL3425419	383.481	XBRUZLISPVCPST-JUNWAVFTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152908
OC12C(C1(O)C(OCC2C(N)Cc1ccccc1)OCc1ccccc1)(C)C	PC-id_77531366	383.481	XBRUZLISPVCPST-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152909
O(C(C1CCCC1)(c1ccc(OC)cc1)C(=O)O)CC#CCN1CC2C(C2)C1	PC-id_77606787	383.481	YPSOYGSRKWCRGW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152910
C12(Cc3ccc(cc3)c3ccccc3)CC1CN(Cc1ccc(cc1)OC)C2=O	MCULE-9500184460	383.482	WFIPFRJCYDQQDJ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-152911
O1C2C1C(C(=O)N(C2Cc1ccccc1)Cc1ccccc1)Cc1ccccc1	PC-id_73075993	383.482	SADKSMVEUJFKPL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152912
O1[C@@H]2[C@H]1[C@@H](C(=O)N([C@H]2Cc1ccccc1)Cc1ccccc1)Cc1ccccc1	PC-id_10905084	383.482	SADKSMVEUJFKPL-JBXUNAHCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152913
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CCC(N(C1=C(C=NC2(N1C2)C#C/C=CN=CC)[N+](=O)[O-])C1CCCC1)CC	PC-id_117825770	383.487	MKAQUYZODVUFSC-JSEWYZRHSA-N	00100010000011000001010000000000000000000000000000000000	22-01-152919
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Fc1cc(OCC2(C)CC=C3C(C2)C3)c(cc1C(=O)N1CCCC1)C1CCC1	PC-id_138699841,SCHEMBL21075495	383.499	HYHSZIISRNMKML-UHFFFAOYSA-N	00101010000011110000110000000000000000000000000000000000	22-01-152923
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Cc1ccc(cc1)S(=O)(=O)N1C[C@@]2(C[C@@]2(C1)CC(=O)C)Cc1ccccc1	PC-id_135067378	383.504	MDQKRUGBWKQGDW-YADHBBJMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152925
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CC#CC(N1C[C@H]2[C@@H](C1C)C2)C1=CC(C(C=C1)CC(=O)O)(O)C1CCCCC1	PC-id_69121153,SCHEMBL4633210	383.524	MKGLSXLULFKCBR-HDMYCMOCSA-N	00100010000011000000110000000000000000000000000000000000	22-01-152929
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O(C1C(C(C)(C)c2ccccc2)CCC(C1)C)C(=O)C12N(C1)C(OC)C=CC2	PC-id_72807110	383.524	VGYSUBVTDIPWAH-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-152946
O(CC1C2C1CN(C2)CC=C(C)C)C(=O)Cc1c(O)c(C2CCCC2)ccc1	SCHEMBL4884661,PC-id_69228664	383.524	YEJZGOHBWYTFQW-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-152947
O(CC1C2C1CN(C2)CC=C(C)C)C(=O)C(O)(C1CCCC1)c1ccccc1	PC-id_10385298,SCHEMBL4620147	383.524	PNTHHXPNFDWPNA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152948
O(CC1[C@@H]2[C@H]1CN(C2)CC=C(C)C)C(=O)C(O)(C1CCCC1)c1ccccc1	PC-id_11653859	383.524	PNTHHXPNFDWPNA-FPCVHMJOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152949
O([C@H]1[C@H](C(C)(C)c2ccccc2)CC[C@H](C1)C)C(=O)[C@@]12N(C1)[C@@H](OC)C=CC2	PC-id_11338073	383.524	VGYSUBVTDIPWAH-ZRRJEXNKSA-N	00100000000011110000010000000000000000000000000000000000	22-01-152950
O=C(NCCc1cc(OC)c(OC)cc1)C1C2C1CCC=CCCC=CCC2	PC-id_3104494	383.524	HIORFBZGFBAVJO-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-152951
O=C(NCCc1cc(OC)c(OC)cc1)C1C2C1CC/C=C/CCC=CCC2	PC-id_5335567	383.524	HIORFBZGFBAVJO-UOBFQKKOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-152952
O=C(NCCc1cc(OC)c(OC)cc1)C1[C@H]2[C@H]1CC/C=C/CCC=CCC2	PC-id_11861029	383.524	HIORFBZGFBAVJO-BKRBFSDBSA-N	00100000000000110110010000000000000000000000000000000000	22-01-152953
O=C(NCCc1cc(OC)c(OC)cc1)C1[C@H]2[C@@H]1CCC=CCCC=CCC2	PC-id_5440666	383.524	HIORFBZGFBAVJO-DETIRCLXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-152954
O=C(NCCc1cc(OC)c(OC)cc1)C1[C@@H]2[C@@H]1CC/C=C/CCC=CCC2	PC-id_6967042	383.524	HIORFBZGFBAVJO-RQMGSHSESA-N	00100000000000110110010000000000000000000000000000000000	22-01-152955
O=C(NCCc1cc(OC)c(OC)cc1)C1[C@H]2[C@@H]1CC/C=C/CCC=CCC2	PC-id_7322815	383.524	HIORFBZGFBAVJO-WVCXPCPOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-152956
C/C=CC(=C/C=C)C(N1CC2C(C1=O)C2(C)C)(c1ccccc1)c1ccccc1	PC-id_144483717	383.525	WDKAPMBKHFPCRH-UCBXIKCQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152957
S1C2C1CC(NS(=O)(=O)c1ccccc1)C2CCCCCCC(=O)O	PC-id_19994111	383.525	WIJPHFQAXURCIU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152958
S1[C@@H]2[C@H]1C[C@@H](NS(=O)(=O)c1ccccc1)[C@@H]2CCCCCCC(=O)O	PC-id_18634643	383.525	WIJPHFQAXURCIU-LHHMISFZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152959
CC(c1cccc(n1)C(=O)N1CCCCCC(C1)NC(=O)C1C2C1CCC2)C	EMOLS-id_317007444,MCULE-1779569042	383.527	FTXKVPGFJRNVBS-UHFFFAOYSA-N	00100010000010101100010000000000000000000000000000000000	22-01-152960
CC(C)c1cccc(C(=O)N2CCCCC[C@H](NC(=O)C3[C@H]4CCC[C@H]34)C2)n1	ZINC22_1775990855	383.527	FTXKVPGFJRNVBS-BZSNNMDCSA-N	00100010000010101100010000000000000000000000000000000000	22-01-152961
CC(C)c1cccc(C(=O)N2CCCCC[C@H](NC(=O)C3[C@@H]4CCC[C@@H]34)C2)n1	ZINC22_1775990857	383.527	FTXKVPGFJRNVBS-RCCFBDPRSA-N	00100010000010101100010000000000000000000000000000000000	22-01-152962
CC(C)c1cccc(C(=O)N2CCCCC[C@H](NC(=O)[C@@H]3[C@H]4CCC[C@@H]34)C2)n1	ZINC22_1775990856	383.527	FTXKVPGFJRNVBS-LXGFNABISA-N	00100010000010101100010000000000000000000000000000000000	22-01-152963
CC(C)c1cccc(C(=O)N2CCCCC[C@@H](NC(=O)[C@@H]3[C@H]4CCC[C@@H]34)C2)n1	ZINC22_1775990859	383.527	FTXKVPGFJRNVBS-WIRSXHRWSA-N	00100010000010101100010000000000000000000000000000000000	22-01-152964
C=CCN=C(C1(CCC(C2C1C2)C)C(CC)C)Nc1ccc(cc1C)[N+](=O)[O-]	PC-id_142123548	383.527	BMHAZRRIIATMMB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-152965
O=C(N1CCN(CC1)S(=O)(=O)c1cc(sc1C)C)NC1CC2C(C1)C2	EMOLS-id_102212653	383.529	WGKUPAWRCPJDJZ-UHFFFAOYSA-N	00100010100110000001010000000000000000000000000000000000	22-01-152966
O=C(N1CCCC(C1)CN1CCN(CC1)c1ccccn1)NC1CC2C(C1)C2	EMOLS-id_102212638	383.53	CWQWTEYUNGRXIP-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-152967
CC(C)(C)OCC1C2C(O2)C(O1)(OC)[Si](c1ccccc1)c1ccccc1	PC-id_87410219	383.533	ORRKSMXVGNLOEA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152968
CC(C(=O)C12C=C1C(=CC=C2C)CCc1cccc(c1C)C1=C[CH]1)C1CCCC1	PC-id_144809140	383.545	IKEFXVAVTAADBA-UHFFFAOYSA-N	00110010000011110000110000000000000000000000000000000000	22-01-152969
CC(=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]2NC(=O)[C@](c1ccccc1)(C1CCCC1)O)C	GD-id_ZINC28956798	383.547	AEJIBUFVDPGRBC-KHUIQGCPSA-O	00100010000010110000010000000000000000000000000000000000	22-01-152970
N/C=CC(=C/1C=CCCC2C(C1=C/C)C2)C#Cc1ccc(cc1)c1cccs1	PC-id_143838216	383.548	LLNNAKJFCZSWNB-CGRNDDJSSA-N	00100000100100110110110000000000000000000000000000000000	22-01-152971
O=C(N1CCN(CC1)S(=O)(=O)N(C1CCCCC1)C)CC1CCC2C1C2	EMOLS-id_101194924	383.549	SLBWFJGIOKWEIH-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-152972
O=C(N1CCN(C(C2[NH+](CCN2)C)c2ccccc2)CC1)C1C2C1CCCC2	PC-id_75680211	383.55	KOXHTHCPRBLYPR-UHFFFAOYSA-O	00100010000010110001010000000000000000000000000000000000	22-01-152973
CCCC1CCC(CC1)c1ccc(cc1)C(=O)OC1CC(C)(C)N2C(C1)(C)C2	PC-id_118890677,SCHEMBL17527503	383.567	NCPMFLCOVMFKNL-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-152974
[Si](O[Si](C)(C)C)(C(CCC1CC2OC2CC1)CCOC(=O)C(=C)C)C	PC-id_53793366	383.65	DREPGGQSXDDPOB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152975
O=C(c1cc(Cl)c(cc1F)OCC1C[C@@H]2[C@H](C1)C2(F)F)NS(=O)O	PC-id_145674100	383.771	XVPXGZHFRVQITK-WQHRFCHWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-152976
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cc(Cl)cc(OC)c1OCCC)C(=O)O	PC-id_135104383,ZINC22_1704307465,MCULE-1199467087,EMOLS-id_317386606	383.823	GJMNPKHQRLMDIT-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152977
[C@@]12(CN(C[C@]1(C2)C(=O)O)Cc1cc(OCC)c(c(Cl)c1)OCC)C(=O)O	ZINC22_1704313005,EMOLS-id_317329028,MCULE-6839228566,PC-id_135102112	383.823	DMDQVNPSLXDXDP-HDICACEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152978
Clc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102213763	383.893	RNXXJSWERWEETH-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-152979
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102213904	383.893	QBRDLKNVANKFSD-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-152980
O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1Cl)NC1CC2C(C1)C2	EMOLS-id_102213730	383.893	PWADDTOIFDXXAI-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-152981
CC(C)(C)c1ccc(cc1)C(=O)N1CC2C(C1)C2CNc1cnc(cc1)Cl	SCHEMBL4415368,PC-id_87666379	383.914	SIVJKWVHOIRDPI-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-152982
BrC1(Br)C2C1C(=O)C(=C(OC)C2OC)OC(=O)C	PC-id_85292699	384.018	GQFWZVAOOVBHPQ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-152983
BrC1(Br)[C@H]2[C@@H]1C(=O)C(=C(OC)[C@@H]2OC)OC(=O)C	PC-id_10861911	384.018	GQFWZVAOOVBHPQ-GKROBHDKSA-N	00100000000011000000010000000000000000000000000000000000	22-01-152984
C1[C@H](NC[C@H]2[C@@H]1[I-]2)CNc1ncc(cc1)C(F)(F)F	PC-id_164174925	384.019	KWAXNDZTUOTTOA-AEJSXWLSSA-N	00100000000010101000010000000000000000000000000000000000	22-01-152985
COC(=O)C1=CC(OC)(OC)C[C@@]2([C@H]1C2(Br)Br)C	PC-id_122223188	384.061	AZEWTRFVDDBKBB-WCBMZHEXSA-N	00100000000011000000010000000000000000000000000000000000	22-01-152986
C[C@@H]1CC2C[C@]2([C@@]1(C)C[I-]C)C(=O)c1c(cccn1)C	PC-id_164160323	384.083	BFYKUOXXCFEFJN-NZVSHHPYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-152987
CC1(C2C1C(N(C2C(=O)N)S(=O)(=O)C3(NC=CC=N3)C(F)(F)F)F)C	PC-id_153996525	384.088	AVJFDKCULSWSNA-UHFFFAOYSA-N	00100010000011000001010000000000000000000000000000000000	22-01-152988
C1[C@@H](C(C([C@@H](OCC1O)O)O)O)O[C@H]1C(C2C(C2(C(O1)CS)O)O)O	PC-id_164107416	384.109	XTZOFSHPNVHPMP-VLTVQTCFSA-N	00100000000010000100010000000000000000000000000000000000	22-01-152989
CO[C@H]1C(C2C([C@@]2(C(O1)CO)O[C@H]1C(C([C@H](C(O1)CS)O)O)O)O)O	PC-id_163573536	384.109	GBLFFNKEJURZQY-ADFSKIOESA-N	00100000000010000000010000000000000000000000000000000000	22-01-152990
CO[C@H]1C(C([C@H](C(O1)CO)O[C@H]1C(C2C([C@]2(C(O1)CS)O)O)O)O)O	PC-id_163986254	384.109	TWPSDVZYTRJTCD-UIOFNFKZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-152991
CC(C)(C)OC(=O)N[C@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)O)SN3C=NC=N3)C(=O)O	PC-id_154239547	384.11	KKSKXNCTBDHCPE-JSLVTQLMSA-N	00100010100010000001010000000000000000000000000000000000	22-01-152992
CC(C)(C)OC(=O)NOC(=O)[C@H]1C[C@H]([C@@H]2[C@H]1[C@H]2C(=O)O)SC3=NC=NN3	PC-id_162186615	384.11	ZPSTVMOXQJSFQY-SQXHDICFSA-N	00100010100010000001010000000000000000000000000000000000	22-01-152993
C[C@@]12C[C@H](N[C@@H]1C2)C(=O)N(C3=C(C=CC(=N3)Cl)CN4CCOCC4)Cl	PC-id_153519898	384.112	UFWLVYKQTRIQFP-AHIWAGSCSA-N	00100010000010101001010000000000000000000000000000000000	22-01-152994
C1C2C1C(=NC3=NC=CC(=C3)Cl)C(=C(C(=O)NC(CO)(CF)CF)N)C2	PC-id_149278330	384.116	CBSGCHSDPDMZMG-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152995
CNC(=O)C1=CC(=CC(=N1)C(C2=CC=CC=C2)Cl)C(=O)CC3[C@H]4[C@@H]3COC4	PC-id_147509708	384.124	FJBBRJNFFDCNLO-QKSYQBNISA-N	00100010000000111000010000000000000000000000000000000000	22-01-152996
CC(C)(C)OC(=O)N1CC2C(C1)C2NC(=O)COC3=CC(=C(C=C3)Cl)F	PC-id_165176974	384.125	QLGUMRQMMFHXHM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-152997
CNC(=O)[C@@]12C[C@@H]1CN(C2)S(=O)(=O)C3=CN=C(C=C3)OC/C(=CF)/CN	PC-id_153573683	384.127	JHELRHGDTBCFTB-PJVKAGLNSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152998
CNC(=O)[C@@]12C[C@@H]1CN(C2)S(=O)(=O)C3=CN=C(C=C3)OC/C(=C/F)/CN	PC-id_153573824	384.127	JHELRHGDTBCFTB-YSRFWOEJSA-N	00100010000000101000010000000000000000000000000000000000	22-01-152999
CNC(=O)C1[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CN=C(C=C3)OC/C(=CF)/CN	PC-id_153573720	384.127	CXFLNKSXTKMPMH-MNDWIMJKSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153000
CNC(=O)C1=CC(=CC(=N1)[C@@H](C2=CC(=CC=C2)F)O)C(=O)CC3[C@H]4[C@@H]3COC4	PC-id_161947165	384.149	BRCIIQMUOXTEAJ-CIUFUOKISA-N	00100010000000111000010000000000000000000000000000000000	22-01-153001
CNC(=O)C1=CC(=CC(=N1)[C@H](C2=CC(=CC=C2)F)O)C(=O)CC3[C@H]4[C@@H]3COC4	PC-id_161947166	384.149	BRCIIQMUOXTEAJ-KOLWVEQXSA-N	00100010000000111000010000000000000000000000000000000000	22-01-153002
C1CC2C(O2)(CC1C(=O)[O-])CC3=CC=C(C=C3)CC45CC(CCC4O5)C(=O)[O-]	PC-id_160532262	384.158	QVRVIOOBMYIDID-UHFFFAOYSA-L	00100000000010110000010000000000000000000000000000000000	22-01-153003
C1CC2C(O2)(CC1C(=O)[O-])CC3=CC(=CC=C3)CC45CC(CCC4O5)C(=O)[O-]	PC-id_161459087	384.158	WBOFJFPMVFBKAN-UHFFFAOYSA-L	00100000000010110000010000000000000000000000000000000000	22-01-153004
C1[C@H]2[C@@H]1N(C[C@H]2CC(=O)c1cc(n[nH]1)c1ccccc1Oc1ccccc1)C#N	PC-id_164150560	384.159	ZEHSPPAXBIHZMB-FQELHTAISA-N	00100010100000110001110000000000000000000000000000000000	22-01-153005
C1[C@H]2[C@@H]1N(C[C@@H]2CC(=O)c1cc(n[nH]1)c1ccccc1Oc1ccccc1)C#N	PC-id_164150561	384.159	ZEHSPPAXBIHZMB-RRMPHLOHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-153006
C1[C@@H]2[C@H]1N(C[C@@H]2CC(=O)c1cc(n[nH]1)c1ccccc1Oc1ccccc1)C#N	PC-id_164150562	384.159	ZEHSPPAXBIHZMB-XERREHJYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-153007
C1[C@@H]2[C@H]1N(C[C@H]2CC(=O)c1cc(n[nH]1)c1ccccc1Oc1ccccc1)C#N	PC-id_164150563	384.159	ZEHSPPAXBIHZMB-YWMUFLPLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-153008
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=C(C=CC=N3)C)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517110	384.16	QXPQCUVENFUIKZ-URTMOLNLSA-N	00100010000010111000010000000000000000000000000000000000	22-01-153009
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=CC=CC(=N3)C)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517134	384.16	LUQTTXIJCBPMLB-VGEYWCCESA-N	00100010000010111000010000000000000000000000000000000000	22-01-153010
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=C(C=CN=C3C)Cl)C4=CC=CC=C4C(=O)N	PC-id_153288952	384.16	CSYJRIKLYKSRLT-YKJDJSTDSA-N	00100010000010111000010000000000000000000000000000000000	22-01-153011
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=CC(=NC=C3)C)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517086	384.16	LFXKNFSHPFKTDQ-ZLIDZYOXSA-N	00100010000010111000010000000000000000000000000000000000	22-01-153012
C[C@@H](C1=CC(=CC=C1)OC)N2C(=CC(=N2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4	PC-id_149284642	384.18	XTPZMFRIXCMUBY-SCEYTZAGSA-N	00100010100000110001010000000000000000000000000000000000	22-01-153013
CC(C)NC(=O)CN1CC2C(C1)C2C[N-]CC3=CC(=CC=C3)OC(F)(F)F	PC-id_160766507	384.19	RYTDDMHKBCZWNL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153014
C12CCCCC1C2C(=O)NNC(=O)c1ccccc1I	MCULE-9157561887,PC-id_579504,BAS-00313509,SPECS-id_AG-690/36103058,EMOLS-id_1189784	384.212	CGRJAYGNEDACHD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153015
Ic1c(C(=O)NNC(=O)C2[C@@H]3[C@H]2CCCC3)cccc1	PC-id_1077292	384.212	CGRJAYGNEDACHD-HWYHXSKPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153016
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)NNC(=O)c1ccccc1I	CoCoCo_36006	384.212	CGRJAYGNEDACHD-DDFAGTSDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153017
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)NNC(=O)c1ccccc1I	CoCoCo_36007	384.212	CGRJAYGNEDACHD-IWIIMEHWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153018
C1CCC(C1)OC(=O)N2C[C@@H]3[C@H](C2)C3CCNC(=O)/C=C/C4=CN=C(C=C4)N	PC-id_147895856	384.216	IDHGEARAWZYCDI-LRIVDMGSSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153019
C1COCCC1C(=O)N2C[C@@H]3[C@H](C2)C3CCNC(=O)/C=C/C4=CN=C(C=C4)N	PC-id_153559868	384.216	LQWWULAZHSXCRT-IAMSNCEESA-N	00100010000010101000010000000000000000000000000000000000	22-01-153020
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]([C@@H]1C(=O)Nc1nc(ccc1)Br)O2	PC-id_135170382,SCHEMBL20320223	384.225	YCIRFQAKJONHCS-FXAINCCUSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153021
OCC12CC(N(C2C1)C(=O)O)C(=O)Nc1nc(Br)ccc1CC	SCHEMBL18555234	384.225	BUQRAIXCMKBLGI-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153022
O=C(C1C2OC2CN1C(=O)OC(C)(C)C)Nc1cccc(n1)Br	SCHEMBL18578461	384.225	YCIRFQAKJONHCS-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153023
O=C([C@@H]1C2O[C@@H]2CN1C(=O)OC(C)(C)C)Nc1cccc(n1)Br	SCHEMBL18611054	384.225	YCIRFQAKJONHCS-LVGBIGNYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153024
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CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OCC1C2C(O2)C(O1)OC	PC-id_91568451	384.541	OEGZERSURKEMJK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153222
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC[C@@H]1[C@H]2[C@H](O2)[C@H](O1)OC	PC-id_134878249	384.541	OEGZERSURKEMJK-ANULTFPQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153223
COC1O[C@@H](C2[C@@H]1O2)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	SCHEMBL12157118,PC-id_58492851	384.541	OEGZERSURKEMJK-OSIBBQKWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153224
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[Si](OC[C@H]1OC(OC)C2O[C@@H]12)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_59065821	384.541	OEGZERSURKEMJK-QAJIEZEQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153227
CCCCC/C=C/C1C2C1C(C(C2)OC(=O)C(C)(C)C)Cc1cccc(c1)O	SCHEMBL11733702,PC-id_21404910	384.552	XIFLPPHAHVMLJI-UKTHLTGXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153228
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Clc1c(OCCCC(=O)NNC(=O)C2[C@H]3[C@@H]2CCCC3)ccc(Cl)c1	PC-id_2166883	385.285	RVJPGVKAOILTNG-MPYYAJLASA-N	00100000000010110000010000000000000000000000000000000000	22-01-153355
CO/N=C(C1C2C1CN(C2)C(=O)OC(C)(C)C)/c1ccc(c(c1)Cl)Cl	SCHEMBL898976	385.285	XDAGAIIHDRAFQV-PGMHBOJBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153356
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[N-]=[N+]=N[C@@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]([C@]2([C@@H]1O2)COC(=O)C)OC(=O)C	PC-id_101900245	385.326	DPMTUGXOJHDJRZ-ZAQNNHEOSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153359
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P(=O)(OCC)(OCC)CC1OC(O)C2N(C12)C(=O)OCc1ccccc1	PC-id_73807726	385.349	IBGZCWUCWXEWRQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153364
P(=O)(OCC)(OCC)C[C@H]1O[C@@H](O)[C@H]2N([C@@H]12)C(=O)OCc1ccccc1	PC-id_21588754	385.349	IBGZCWUCWXEWRQ-LBFDXBLBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153365
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OCc1cccc(c1)NC(=O)C12CC1NC=C2NC(=O)c1c(F)cccc1F	PC-id_143612962	385.364	ZAGWYXYQNXDMFA-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-153367
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CCc1onc(c2ccccc2C)n1	EMOLS-id_317325682,ZINC22_1704308862,MCULE-1463710761,PC-id_135096147	385.371	SJYNTEWTTQNZLN-KDURUIRLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-153368
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CCc1onc(c2cccc(C)c2)n1	EMOLS-id_317345928,ZINC22_1704316276,PC-id_135094428,MCULE-9017792533	385.371	XFRLNBZGQZULPI-KDURUIRLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-153369
CCOC(=O)[C@@]1(C#N)[C@]2([C@]1(C#N)C(=NC2(ON=C(C)C)ON=C(C)C)N)C#N	CoCoCo_5764601	385.377	LEVOJUHEUBDOIW-BZUAXINKSA-N	00100011000000000000010000000000000000000000000000000000	22-01-153370
CCOC(=O)[C@]1(C#N)[C@]2([C@]1(C#N)C(=NC2(ON=C(C)C)ON=C(C)C)N)C#N	CoCoCo_5764602	385.377	LEVOJUHEUBDOIW-OWCLPIDISA-N	00100011000000000000010000000000000000000000000000000000	22-01-153371
CCOC(=O)[C@]1(C#N)[C@@]2([C@@]1(C#N)C(=NC2(ON=C(C)C)ON=C(C)C)N)C#N	CoCoCo_5764603	385.377	LEVOJUHEUBDOIW-JYJNAYRXSA-N	00100011000000000000010000000000000000000000000000000000	22-01-153372
CCOC(=O)[C@@]1(C#N)[C@@]2([C@@]1(C#N)C(=NC2(ON=C(C)C)ON=C(C)C)N)C#N	NSC697695,CoCoCo_5764604	385.377	LEVOJUHEUBDOIW-XHSDSOJGSA-N	00100011000000000000010000000000000000000000000000000000	22-01-153373
O(N=C(C)C)C1(ON=C(C)C)N=C(N)C2(C1(C2(C(=O)OCC)C#N)C#N)C#N	PC-id_394326	385.377	LEVOJUHEUBDOIW-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-153374
COc1nc(OC2CC3C(C2)C3(F)F)c(cc1CNC(=O)C1CCCN1)F	PC-id_141636368	385.381	QCGDBJKLVGLEPL-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-153375
COc1nc(OC2CC3C(C2)C3(F)F)c(cc1CNC(=O)[C@@H]1CCCN1)F	SCHEMBL18669848	385.381	QCGDBJKLVGLEPL-ZGGKBRPKSA-N	00100010000010101000010000000000000000000000000000000000	22-01-153376
FC(F)(F)c1ccc(NC(=O)N2CC3C(C3NC(=O)OC(C)(C)C)C2)cc1	PC-id_78029697	385.381	HRHUAHZUFGXGIO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153377
FC(F)(F)c1ccc(NC(=O)N2C[C@H]3[C@H](C3NC(=O)OC(C)(C)C)C2)cc1	PC-id_71131118	385.381	HRHUAHZUFGXGIO-PBWFPOADSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153378
FC(F)(F)Oc1cc(C(=O)NCC2C3C2CN(C3)CC(=O)N(C)C)ccc1	SCHEMBL5517992,PC-id_69472969	385.381	BEYGXNVLLRSNCM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153379
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FC1(C2C1CC(OCc1ccc(cc1)c1ccccc1)C2(N)C(=O)O)C(=O)O	PC-id_72816661	385.386	RQZABZUTZSTTGD-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-153386
FC1(C2C1CC(OCc1cc(ccc1)c1ccccc1)C2(N)C(=O)O)C(=O)O	PC-id_73084659	385.386	KOLGCNQTLGUKEE-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-153387
FC1(C2C1CC(OCc1c(cccc1)c1ccccc1)C2(N)C(=O)O)C(=O)O	PC-id_73084660	385.386	PQQUZBSXONTSIT-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-153388
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C12(CCCCC1C2C(=O)NN=Cc1ccc(c2ccc(cc2N(=O)=O)F)o1)C	MCULE-2588896506,PC-id_3736715	385.389	RGQYIHWAELFPRT-UHFFFAOYSA-N	00100000101010110000110000000000000000000000000000000000	22-01-153392
CC12CCCCC1C2C(=O)N/N=C/c1ccc(o1)c1ccc(F)cc1[N+](=O)[O-]	EMOLS-id_1701858,TIMTEC424044,PC-id_9633501	385.389	RGQYIHWAELFPRT-SSDVNMTOSA-N	00100000101010110000110000000000000000000000000000000000	22-01-153393
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CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)[C@@H](c1cccc(c1)F)O	SCHEMBL19448758	385.389	ONNQDPUAGFGAMB-IDCJVQTKSA-N	00100010000000111000010000000000000000000000000000000000	22-01-153395
Fc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6697438	385.389	RGQYIHWAELFPRT-SSNBBSKJSA-N	00100000101010110000110000000000000000000000000000000000	22-01-153396
Fc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6697439	385.389	RGQYIHWAELFPRT-GWXVHGFFSA-N	00100000101010110000110000000000000000000000000000000000	22-01-153397
Fc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6697440	385.389	RGQYIHWAELFPRT-MJGLRYBLSA-N	00100000101010110000110000000000000000000000000000000000	22-01-153398
Fc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6697441	385.389	RGQYIHWAELFPRT-SAUDRBHISA-N	00100000101010110000110000000000000000000000000000000000	22-01-153399
Fc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6697442	385.389	RGQYIHWAELFPRT-BVNRNSLPSA-N	00100000101010110000110000000000000000000000000000000000	22-01-153400
Fc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6697443	385.389	RGQYIHWAELFPRT-LJSCJVIFSA-N	00100000101010110000110000000000000000000000000000000000	22-01-153401
Fc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6697444	385.389	RGQYIHWAELFPRT-DARDVUJXSA-N	00100000101010110000110000000000000000000000000000000000	22-01-153402
Fc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6697445	385.389	RGQYIHWAELFPRT-DLVKNRNASA-N	00100000101010110000110000000000000000000000000000000000	22-01-153403
Fc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98093249	385.389	RGQYIHWAELFPRT-CFNYCBHXSA-N	00100000101010110000110000000000000000000000000000000000	22-01-153404
Fc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98093250	385.389	RGQYIHWAELFPRT-QJACYKDBSA-N	00100000101010110000110000000000000000000000000000000000	22-01-153405
Fc1cc([N+](=O)[O-])c(c2oc(C=NNC(=O)[C@@H]3[C@]4([C@@H]3CCCC4)C)cc2)cc1	PC-id_11893236	385.389	RGQYIHWAELFPRT-XFQXTVEOSA-N	00100000101010110000110000000000000000000000000000000000	22-01-153406
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CC(=O)C[C@]12C[C@]1(CN(C2)P(=O)(Oc1ccccc1)Oc1ccccc1)C	PC-id_135068969	385.393	ZZLFEOZITSCGIW-LEWJYISDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153408
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COCCOc1ccc(cc1)NC1C=C(C2=CN12)NCc1cc(F)cc(c1)F	PC-id_144003112	385.407	ZSOWPJJRRFXDGQ-UHFFFAOYSA-N	00110011000000110000010000000000000000000000000000000000	22-01-153412
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CCCC(=O)OCOC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)OCOC(=O)CCC	PC-id_60131612,SCHEMBL8354778	385.409	IIYSUOPCAZYRRE-HEWDHTHVSA-N	00100010000010000000010000000000000000000000000000000000	22-01-153418
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CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)C(c1ccccc1)Cl	SCHEMBL20929852	385.844	QUOANXOEYQNVMO-FCXAFYQYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-153535
Cc1ccc(cc1)S(=O)(=O)N1C[C@@H]2[C@](C1)([C@H]2C)C#Cc1ccc(cc1)Cl	PC-id_102160962	385.907	HQPOCTBDBCYSBV-ORYQWCPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153536
CC1(CCC2C1(C2O)C)Nc1c(c(nc(n1)NCCOC)Cl)C(=S)N	PC-id_91582994	385.912	DDQBACIZAUVNEN-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-153537
C[C@]12CC1[I-]C(C2)(C(c1ccccc1)NC(=O)[AlH2])O	PC-id_163624937	386.02	XCFVLUUUBBZGNH-JKQFJYEJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153538
C[C@@]12C[C@H](N[C@@H]1C2)C(=O)N(C3=C(C=CC(=N3)Br)CN(C)C)Cl	PC-id_153519881	386.051	BOPHDJCFGBYARH-RWSFTLGLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153539
Brc1cc(Cl)c(S(=O)(=O)NC2C3C2CNC3)c(Cl)c1	PC-id_43597314	386.092	LOCPBTYIQTUDRI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153540
CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C)NS(=O)(=O)C(F)(F)F	PC-id_165393839	386.112	VCBBIQDSULZMAW-XKNYDFJKSA-N	00100010000000000000010000000000000000000000000000000000	22-01-153541
C1CC2C(O2)CC1OP(=O)(OC3CCC4C(C3)O4)OC5CCC6C(C5)O6	PC-id_154400673	386.149	FWUKOIPNRCTAPA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153542
CCC(C1[C@H]2[C@@H]1CC(C2)NC(=O)C3=CNN=C3)NC(=O)C4=CC=C(C=C4)Cl	PC-id_148828690	386.151	OTGAKKMYPZZANW-FUDRRUEFSA-N	00100010100010110001010000000000000000000000000000000000	22-01-153543
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C1CC2C(O2)(CC1C(=O)O)CC3=CC=C(C=C3)CC45CC(CCC4O5)C(=O)O	PC-id_160532263	386.173	QVRVIOOBMYIDID-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153545
C1CC2C(O2)(CC1C(=O)O)CC3=CC(=CC=C3)CC45CC(CCC4O5)C(=O)O	PC-id_161459088	386.173	WBOFJFPMVFBKAN-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153546
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CC1=NOC(=C1CO)C2=NC=C(C=C2)O[C@@H]3C[C@@H](CC4[C@@H]3C4)C(=O)OC(C)C	PC-id_164831252	386.184	HRNSVFQVEXEXQJ-MNEISNIMSA-N	00100000100010101001110000000000000000000000000000000000	22-01-153550
CC1(COC1)OC(=O)N2C[C@@H]3[C@H](C2)C3CCNC(=O)/C=C/C4=CN=C(C=C4)N	PC-id_153559864	386.195	USBJMTGPHXKYKU-DUUQWCMASA-N	00101010000000101000010000000000000000000000000000000000	22-01-153551
Ic1ccc(c(c1)F)NC1=C(C)C2[C@@](C(=O)N1C)(C2)C	SCHEMBL19443255	386.203	CUCROMBSRLQLII-WRXSAAJRSA-N	00100000000011110000010000000000000000000000000000000000	22-01-153552
CC1CC=CCC1COCCS(=O)(=O)CCOCC2CC3C(O3)CC2C	PC-id_154237954	386.213	ZLVQYLJMVYXVKL-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-153553
[3H]P(=O)(O)OCCCCCCCCCC(=O)OCC1[C@H]2[C@@H]1CCC#CCC2	PC-id_161719362	386.215	BGUVUKRMAQEERB-SMRFOKIVSA-N	00100000000000000110010000000000000000000000000000000000	22-01-153554
O=C([C@@H]1[C@@H]2[C@H]1CNC2)NCCOc1ccc(cc1C)I	SCHEMBL18384421	386.228	WUMFKVXOKUPJBA-IMRBUKKESA-N	00100010000000110000010000000000000000000000000000000000	22-01-153555
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2CCNC(=O)N3CC(C3)C4=CN=CC=C4	PC-id_153560048	386.232	YBFLYYFTHJKORX-AYHJJNSGSA-N	00101010000000101000110000000000000000000000000000000000	22-01-153556
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[Se](C1CC2N(C2C1=O)C(=O)OCc1ccccc1)c1ccccc1	PC-id_76386055	386.303	HMCQBJVHAMNNEG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153566
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Ic1ccccc1C[C@]12CCC[C@]1(C2)O[Si](C)(C)C	PC-id_102264538	386.343	POTLCISQFHXXKJ-JKSUJKDBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153593
Cc1ccc(cc1)S(=O)(=O)N[C@@]1(C[C@H]2[C@H](C2(C)C)C[C@H]1Br)C	PC-id_134840817	386.347	KBLGSBPUDWVSJF-JYYAWHABSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153594
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1	EMOLS-id_317502536	386.366	WHBLNUZHHMBMAJ-HONMWMINSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153595
CC(CC(C(F)(F)F)C(F)(F)F)(C1CCC2C(C1)O2)C1CCC2C(C1)O2	PC-id_87420730,SCHEMBL2671440	386.372	SHFZIAVCTLEQMR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153596
C12C(=C(C)NCCNc3c(F)c(F)c(c(F)c3F)CO)C(=O)CC1C2(C)C	MCULE-9621581449,PC-id_3835427	386.384	GRAGAGPVWPFWNF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153597
C/C(=C/1C2C(CC1=O)C2(C)C)/NCCNc1c(F)c(F)c(CO)c(F)c1F	EMOLS-id_49411428,PC-id_71710429	386.384	GRAGAGPVWPFWNF-XYOKQWHBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153598
C/C(=C/1[C@H]2[C@@H](CC1=O)C2(C)C)/NCCNc1c(F)c(F)c(CO)c(F)c1F	EMOLS-id_26299640,ZINC22_4955756,PC-id_17572744,STOCK3S-26477	386.384	GRAGAGPVWPFWNF-JEEBAWPVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153599
C/C(=C
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C/C(=C
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C/C(=C
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[C@H]12C(=C(C)NCCNc3c(F)c(F)c(c(F)c3F)CO)C(=O)C[C@H]1C2(C)C	PC-id_71966936,MCULE-2584555617	386.384	GRAGAGPVWPFWNF-ZWNOBZJWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153603
Fc1c(NCC/N=C(/C2C3C(C3CC2=O)(C)C)C)c(F)c(F)c(c1F)CO	PC-id_78483411	386.384	VXGRBYTYIPIGEE-KTZMUZOWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153604
Fc1c(NCC/N=C(/C2[C@@H]3C([C@@H]3CC2=O)(C)C)C)c(F)c(F)c(c1F)CO	PC-id_7431712	386.384	VXGRBYTYIPIGEE-RGAXSKNNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153605
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O=C(C[C@]12CCCC[C@@H]1C2(F)F)Nc1cc(F)c(N2CCOCC2)cc1F	ZINC22_614805370	386.384	IPHGZKDUMKSKKM-FUHWJXTLSA-N	00100000000010110001110000000000000000000000000000000000	22-01-153607
O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cc(F)c(N2CCOCC2)cc1F	ZINC22_614805371	386.384	IPHGZKDUMKSKKM-SJLPKXTDSA-N	00100000000010110001110000000000000000000000000000000000	22-01-153608
O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cc(F)c(N2CCOCC2)cc1F	ZINC22_614805372	386.384	IPHGZKDUMKSKKM-WMZOPIPTSA-N	00100000000010110001110000000000000000000000000000000000	22-01-153609
Fc1ccc(cc1)COC(=O)C1CCC2C1C2C(=O)OCc1ccc(cc1)F	PC-id_141428973	386.389	CNPRKWYBIFNIAE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153610
Fc1cccc(c1)COC(=O)C1CCC2C1C2C(=O)OCc1cccc(c1)F	PC-id_141428975	386.389	NWCSAKWEOPWOMQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153611
N#CC12CN(CC2C1)C(=O)c1cc(ccc1OC(C(F)(F)F)C)S(=O)C	SCHEMBL18643136	386.389	HOPJQFAVHPDYCS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153612
N#CC12CN(CC2C1)C(=O)c1cc(ccc1O[C@@H](C(F)(F)F)C)S(=O)C	SCHEMBL18643414	386.389	HOPJQFAVHPDYCS-PESAOXAQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153613
O=C(C1CCC2C1C2C(=O)OCc1ccccc1F)OCc1ccccc1F	PC-id_141428983	386.389	WEZCBAYBKMHNSJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153614
O=S1CCN(CC1)C(=O)c1cnc(nc1C(F)(F)F)NC12CCC=C1C2	PC-id_144063042	386.392	MHJHYNQNJLWIMO-UHFFFAOYSA-N	00100011000010100001010000000000000000000000000000000000	22-01-153615
CCC1C([N+](=O)[O-])C2C(C1(NC(=O)OC(C)(C)C)C(=O)O)(C2C(=O)O)CC	SCHEMBL7306110,PC-id_54514718	386.397	YLPLDVJTOLQBNP-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-153616
CCOC(=O)C1(NC(=O)OC(C)(C)C)CC(C2C1C2C(=O)OCC)[N+](=O)[O-]	SCHEMBL7306116,PC-id_70050829	386.397	SKYGFHIGPLZAKY-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-153617
OC(=O)C1C2C1C([N+](=O)[O-])C(C2(NC(=O)OC(C)(C)C)C(=O)O)(CC)CC	PC-id_76500266	386.397	QULUXQOJURTRER-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-153618
OC(=O)[C@H]1[C@@H]2[C@@H]1[C@@H]([N+](=O)[O-])C([C@]2(NC(=O)OC(C)(C)C)C(=O)O)(CC)CC	PC-id_57257542	386.397	QULUXQOJURTRER-RQPCGGCDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-153619
CCn1cc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)c4ccoc4CC(=O)N)C[C@H]23)nn1	ZINC22_1615058807,MCULE-2917363385,EMOLS-id_317058890	386.405	WYGSDVJTPDMIQO-LAQFHYBYSA-N	00100010101000000001010000000000000000000000000000000000	22-01-153620
FC(F)(F)C(OC)(C(=O)OC1C(O)(C2C(C2)(C1)C(C)C)C)c1ccccc1	PC-id_74959449	386.405	JGSFYRHVTJMMMB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153621
FC(F)(F)[C@](OC)(C(=O)O[C@H]1[C@@](O)([C@@H]2[C@@](C2)(C1)C(C)C)C)c1ccccc1	PC-id_44233627	386.405	JGSFYRHVTJMMMB-VKSUQKOCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153622
FC(F)(F)[C@@](OC)(C(=O)O[C@H]1[C@@](O)([C@@H]2[C@@](C2)(C1)C(C)C)C)c1ccccc1	PC-id_44233628	386.405	JGSFYRHVTJMMMB-PTGCCPEKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153623
FC(F)(F)c1c(cc(OCC2N(CC3(C(C3)C2)C(C)(C)C)C(=O)O)nc1)C	PC-id_77183690	386.409	IWJGTEAUSYDGBN-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-153624
FC(F)(F)c1c(cc(OCC2N(CC3C(C3)C2)C(=O)OC(C)(C)C)nc1)C	PC-id_77183689	386.409	PKNQQTLFNXYKPW-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-153625
FC(F)(F)c1c(cc(OC[C@H]2N(C[C@@]3([C@@H](C3)C2)C(C)(C)C)C(=O)O)nc1)C	PC-id_66743131,SCHEMBL611455	386.409	IWJGTEAUSYDGBN-VBHSOAQHSA-N	00100000000010101000010000000000000000000000000000000000	22-01-153626
FC(F)(F)c1c(cc(OC[C@H]2N(C[C@@H]3[C@@H](C3)C2)C(=O)OC(C)(C)C)nc1)C	SCHEMBL611454,PC-id_66743130	386.409	PKNQQTLFNXYKPW-MJBXVCDLSA-N	00100000000010101000010000000000000000000000000000000000	22-01-153627
FC(F)(F)Oc1cc(CNCC2C3C2CN(C3)C(=O)OC(C)(C)C)ccc1	SCHEMBL710769,PC-id_66775745	386.409	CFHHKURYBRYQTI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153628
Cn1cc(nc1)OC(=O)N(CC1CC1)CC1C2C1CN(C2)CCC(F)(F)F	SCHEMBL15967251,PC-id_90353570	386.412	QKWYFCNXVLFIPL-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-153629
CNC(=O)c1nn(c(c1)C(=O)NC1[C@@H]2[C@H]1COC2)C(c1cccc(c1C)F)C	PC-id_142418024	386.42	FQINMCRTBJVGNC-IYBREJCASA-N	00100010100000110001010000000000000000000000000000000000	22-01-153630
CNC(=O)c1nn(c(c1)C(=O)NC1[C@@H]2[C@H]1COC2)[C@H](c1cccc(c1C)F)C	PC-id_142417992	386.42	FQINMCRTBJVGNC-UDGQRLMISA-N	00100010100000110001010000000000000000000000000000000000	22-01-153631
CNC(=O)c1nn(c(c1)C(=O)NC1[C@@H]2[C@H]1COC2)[C@@H](c1cccc(c1C)F)C	PC-id_142418059	386.42	FQINMCRTBJVGNC-BTSAEYSWSA-N	00100010100000110001010000000000000000000000000000000000	22-01-153632
CNC(=O)c1nn(c(c1)C(=O)NC1[C@@H]2[C@H]1COC2)[C@H](c1ccc(c(c1)F)C)C	PC-id_142418041	386.42	PYKPWHUPZLFNHX-UDGQRLMISA-N	00100010100000110001010000000000000000000000000000000000	22-01-153633
CNC(=O)c1nn(c(c1)C(=O)NC1[C@@H]2[C@H]1COC2)[C@@H](c1ccc(c(c1)F)C)C	PC-id_142418124	386.42	PYKPWHUPZLFNHX-BTSAEYSWSA-N	00100010100000110001010000000000000000000000000000000000	22-01-153634
COc1ccc(cc1)C(=O)N1CC2C(C1)C2NCC(=O)N1CC(CC1C#N)F	SCHEMBL4634926,PC-id_69121797	386.42	GASVHKSPAUUMFM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153635
COc1ccc(cc1)C(=O)N1CC2C(C1)C2NCC(=O)N1C[C@H](C[C@H]1C#N)F	SCHEMBL4888984,PC-id_16224914	386.42	GASVHKSPAUUMFM-USJUDTJWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153636
CC(C)(C)OC(=O)NC1(CC(C2C1C2C(=O)O)SN1CNN=C1)C(=O)O	SCHEMBL15643768,PC-id_90098480	386.423	WWOZLRBNVPYSGZ-UHFFFAOYSA-N	00100011000010000001010000000000000000000000000000000000	22-01-153637
[N-]=[N+]=NC1CCC(C1)[C@@](c1ccccc1)(C(=O)CC[C@@H]1[C@@H]2[C@H]1CN(C2)P)O	SCHEMBL14370734	386.428	BOHWGOQAQZTXBI-JGMXWCRZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153638
PN1CC2C(C2CCC(=O)C(O)(C2CC(N=[N+]=[N-])CC2)c2ccccc2)C1	PC-id_76823943	386.428	BOHWGOQAQZTXBI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153639
PN1C[C@@H]2[C@@H](C2CCC(=O)[C@@](O)(C2CC(N=[N+]=[N-])CC2)c2ccccc2)C1	PC-id_58586142	386.428	BOHWGOQAQZTXBI-QZTJCJJOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153640
COc1ccc(cc1)CN(C(=O)CC12CCCCC1C2(F)F)c1ccncc1	EMOLS-id_316971013,MCULE-6581690374	386.435	ZFUMVDBVSMLSOO-UHFFFAOYSA-N	00100000000010111000010000000000000000000000000000000000	22-01-153641
COc1ccc(CN(C(=O)C[C@@]23CCCC[C@H]2C3(F)F)c2ccncc2)cc1	ZINC22_622811518	386.435	ZFUMVDBVSMLSOO-CTNGQTDRSA-N	00100000000010111000010000000000000000000000000000000000	22-01-153642
COc1ccc(CN(C(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c2ccncc2)cc1	ZINC22_622811519	386.435	ZFUMVDBVSMLSOO-FPOVZHCZSA-N	00100000000010111000010000000000000000000000000000000000	22-01-153643
COc1ccc(CN(C(=O)C[C@]23CCCC[C@@H]2C3(F)F)c2ccncc2)cc1	ZINC22_622811520	386.435	ZFUMVDBVSMLSOO-PZJWPPBQSA-N	00100000000010111000010000000000000000000000000000000000	22-01-153644
COc1ccc(CN(C(=O)C[C@]23CCCC[C@H]2C3(F)F)c2ccncc2)cc1	ZINC22_622811521	386.435	ZFUMVDBVSMLSOO-TZIWHRDSSA-N	00100000000010111000010000000000000000000000000000000000	22-01-153645
O1[C@@]2([C@]1(C[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)CC2(C)C)C)/C=C/C(=O)C	PC-id_10385469,UNPD53166	386.437	RZPOXAOUEYNXNO-VLSJDARNSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153646
O=C(/C=C/C12OC1(C)CC(OC1OC(CO)C(O)C(O)C1O)CC2(C)C)C	PC-id_85128318,CNP0138050	386.437	RZPOXAOUEYNXNO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153647
OC[C@H]1O[C@@H](O[C@H]2CC(C)(C)[C@@]3([C@@](C2)(C)O3)/C=C/C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	UNPD120433,PC-id_102384290	386.437	RZPOXAOUEYNXNO-FBOCVPDYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153648
OC[C@H]1O[C@H](O[C@H]2CC(C)(C)[C@]3([C@](C2)(C)O3)/C=C/C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	UNPD159901	386.437	RZPOXAOUEYNXNO-QNSBSSDHSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153649
OC[C@H]1O[C@@H](O[C@@H]2CC(C)(C)[C@]3([C@](C2)(C)O3)/C=C/C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	UNPD191901,PC-id_101868574	386.437	RZPOXAOUEYNXNO-MTXOBMSDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153650
OC[C@H]1O[C@@H](O[C@H]2CC(C)(C)[C@]3([C@](C2)(C)O3)C=CC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	UNPD214422	386.437	RZPOXAOUEYNXNO-NDLGEYNJSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153651
C1CC2C(O2)CC1Cc1c(ccc(c1)C(=O)O)C(=O)OCC1CCC2C(C1)O2	SCHEMBL11760209,PC-id_88828333	386.438	NXZIBSRBPDHHOH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153652
CCOC(=O)C1(CC2C(C1)(C2)C(=C)C(=O)Oc1c(C)cc(cc1C)C)C(=O)O	PC-id_58689551,SCHEMBL13108975	386.438	SLWVIIZQUQBGAP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153653
Fc1ccc(cc1c1ccc(nn1)NC1C2C1CN(C2)CC1CCOCC1)F	PC-id_139371711,SCHEMBL21225454	386.438	IHZKBWZLOQMOHS-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153654
Fc1ccc(cc1c1ccc(nn1)NC1[C@@H]2[C@H]1CN(C2)CC1CCOCC1)F	SCHEMBL21225045,PC-id_139371385	386.438	IHZKBWZLOQMOHS-QRTHJKPMSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153655
Fc1ccc(cc1c1ccc(nn1)N[C@@H]1[C@H]2[C@@H]1CN(C2)CC1CCOCC1)F	SCHEMBL21225044	386.438	IHZKBWZLOQMOHS-UPHUGPLXSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153656
Fc1ccc(c(c1)F)c1ccc(nn1)NC1C2C1CN(C2)CC1CCOCC1	SCHEMBL21224709,PC-id_139371133	386.438	WBMGPWTWWLOIFE-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153657
Fc1ccc(c(c1)F)c1ccc(nn1)NC1[C@@H]2[C@H]1CN(C2)CC1CCOCC1	PC-id_139371176,SCHEMBL21224763	386.438	WBMGPWTWWLOIFE-QRTHJKPMSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153658
Fc1ccc(c(c1)F)c1ccc(nn1)N[C@@H]1[C@H]2[C@@H]1CN(C2)CC1CCOCC1	SCHEMBL21224761	386.438	WBMGPWTWWLOIFE-UPHUGPLXSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153659
Fc1c(F)cccc1c1ccc(nn1)NC1C2C1CN(C2)CC1CCOCC1	SCHEMBL21224621,PC-id_139371059	386.438	MLDIEIATPLTZJH-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153660
Fc1c(F)cccc1c1ccc(nn1)NC1[C@@H]2[C@H]1CN(C2)CC1CCOCC1	PC-id_139371319,SCHEMBL21224946	386.438	MLDIEIATPLTZJH-GWTOYCKXSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153661
Fc1c(F)cccc1c1ccc(nn1)N[C@@H]1[C@H]2[C@@H]1CN(C2)CC1CCOCC1	SCHEMBL21225125	386.438	MLDIEIATPLTZJH-VPTLXERWSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153662
O1C2C1CCCC2Cc1c(CC2C3OC3CCC2)ccc(c1C(=O)O)C(=O)O	SCHEMBL10898366,PC-id_20492925	386.438	WTSLATQRAPYOJQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153663
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O1C2C1CCC(C2)Cc1c(CC2CC3OC3CC2)ccc(c1C(=O)O)C(=O)O	SCHEMBL9188202,PC-id_19806449	386.438	SSRHKISICYKAMI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153665
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O1C2C1CCCC2COC(=O)c1c(C(=O)OCC2C3OC3CCC2)cccc1	PC-id_54261274,SCHEMBL9717350	386.438	RDRABYNAEYQWNU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153667
O1C2C1CCC(C2)COC(=O)c1c(C(=O)OCC2CC3OC3CC2)cccc1	PC-id_54178282,SCHEMBL11494480	386.438	OZZCUBYFARYBHZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153668
O1C2C1CCC(C2)C(=O)OC(OC(=O)C1CC2OC2CC1)c1ccc(cc1)C	PC-id_20727423	386.438	BGOQXJMYFBTADU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153669
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O=C(C1CCC2C(C1)O2)OCc1cccc(c1)COC(=O)C1CCC2C(C1)O2	PC-id_142730668	386.438	ODMNRLBVNCVCLA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153671
O=C(c1cccc(c1)C(=O)OCC1CCC2C(C1)O2)OCC1CCC2C(C1)O2	PC-id_140273618	386.438	AEXVWWGPMGSNFY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153672
O=C(c1ccc(cc1)C(=O)OCC1CCCC2C1O2)OCC1CCCC2C1O2	PC-id_140241775	386.438	ZPHZSOQPWNWOFJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153673
C1CN(CCC1CC(=O)N1C[C@]2(C[C@]2(C1)C(=O)O)C(=O)O)Cc1ccccc1	MCULE-1703775864,PC-id_137334635,EMOLS-id_317484917	386.442	CWBJTRKPSBEXLN-OYRHEFFESA-N	00100010000010110000010000000000000000000000000000000000	22-01-153674
[C@@H]1(OCC(=O)N(C(C)C)[C@@H]1c1ccccc1)C(=O)N1C[C@@H]2[C@@H]([C@H]2C(=O)OC)C1	MCULE-5211619501,EMOLS-id_337835147,ZINC22_2356170112	386.442	VLVXWUCLDMPKKT-QDSNELGPSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153675
CC(C[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]2N(C1=O)C2)Cc1ccccc1)C	PC-id_117906115,SCHEMBL16510452	386.445	ORLJZGFKUJQZMJ-KOCIKJISSA-N	00100000000000110101010000000000000000000000000000000000	22-01-153676
O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)C)N1CC2C(C1)C2(C)C	EMOLS-id_111161678	386.445	SFFZVCLLIMLWHH-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153677
O(C(=O)N1C2C1C=C(CC2N=[N+]=[N-])COCc1ccc(OC)cc1)C(C)(C)C	PC-id_72625810	386.445	PXWUFZMBVOIESW-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-153678
O(C(=O)N1C2[C@@H]1C=C(C[C@@H]2N=[N+]=[N-])COCc1ccc(OC)cc1)C(C)(C)C	PC-id_60076473	386.445	PXWUFZMBVOIESW-VQLJEYIZSA-N	00100000000011110000010000000000000000000000000000000000	22-01-153679
O(C(=O)N1[C@H]2[C@@H]1C=C(C[C@@H]2N=[N+]=[N-])COCc1ccc(OC)cc1)C(C)(C)C	PC-id_60027155	386.445	PXWUFZMBVOIESW-HJHWOVNGSA-N	00100000000011110000010000000000000000000000000000000000	22-01-153680
O(C1(OC)N=C(N)C2(C(C12C#N)(Cc1ccccc1)Cc1ccccc1)C#N)C	PC-id_78737093	386.446	RTBYVJGNDHYWRE-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-153681
O(C1(OC)N=C(N)[C@]2(C([C@@]12C#N)(Cc1ccccc1)Cc1ccccc1)C#N)C	PC-id_8608883	386.446	RTBYVJGNDHYWRE-FCHUYYIVSA-N	00100011000000110000010000000000000000000000000000000000	22-01-153682
O(C1(OC)N=C(N)[C@@]2(C([C@]12C#N)(Cc1ccccc1)Cc1ccccc1)C#N)C	PC-id_8608889	386.446	RTBYVJGNDHYWRE-YADHBBJMSA-N	00100011000000110000010000000000000000000000000000000000	22-01-153683
CCCCCN(C(=O)c1ncn(c1)C)CC1C2C1CN(C2)CCC(F)(F)F	PC-id_69477984,SCHEMBL5531449	386.455	UHDUSWADDVWRHM-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-153684
O=C(NCc1ccccc1c1ccc(Cn2ccnc2)cc1)N[C@]12CCC[C@H]1C2	ZINC22_663986236	386.489	BDUVOFLINDLMQJ-URXFXBBRSA-N	00100010100010110001110000000000000000000000000000000000	22-01-153743
CCC(CN(C(=O)c1ncn(c1)C)CC1C2C1CN(C2)CCC(F)(F)F)C	PC-id_69665883,SCHEMBL6104843	386.455	WSOWXTQQDXTOBK-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-153685
S(=O)(=O)(C12OC1C(OC2C=C)COCc1ccccc1)c1ccc(cc1)C	PC-id_73065254	386.461	MULIAGCUCKNJFQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153686
S(=O)(=O)([C@@]12O[C@@H]1[C@H](O[C@H]2C=C)COCc1ccccc1)c1ccc(cc1)C	PC-id_11696717	386.461	MULIAGCUCKNJFQ-PLACYPQZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153687
CC(Oc1cc(ccc1F)CN(C(=O)c1ncn(c1)C)CC1C2C1CNC2)C	PC-id_11952205,SCHEMBL708593	386.463	QOUHFHYOLQMCBS-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-153688
CCOc1ccc(NC(=O)[C@@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1	PC-id_100783335,ZINC22_225947928	386.465	ODQYVJVFBCVSBE-OXQOHEQNSA-N	00100010000000110001010000000000000000000000000000000000	22-01-153689
CCOc1ccc(NC(=O)[C@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1	PC-id_100783340,ZINC22_225947956	386.465	ODQYVJVFBCVSBE-UZLBHIALSA-N	00100010000000110001010000000000000000000000000000000000	22-01-153690
CCOc1ccc(NC(=O)[C@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1	ZINC22_260834751	386.465	ODQYVJVFBCVSBE-JXFKEZNVSA-N	00100010000000110001010000000000000000000000000000000000	22-01-153691
CCOc1ccc(NC(=O)[C@@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1	ZINC22_260834755	386.465	ODQYVJVFBCVSBE-OXJNMPFZSA-N	00100010000000110001010000000000000000000000000000000000	22-01-153692
COc1ccc(NC(=O)[C@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)c(C)c1	PC-id_100783395,ZINC22_225948335	386.465	OMQMNJAFFVPXGC-UZLBHIALSA-N	00100010000000110001010000000000000000000000000000000000	22-01-153693
COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)c(C)c1	ZINC22_225948310,PC-id_100783392	386.465	OMQMNJAFFVPXGC-OXQOHEQNSA-N	00100010000000110001010000000000000000000000000000000000	22-01-153694
COc1ccc(NC(=O)[C@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)c(C)c1	ZINC22_260836352	386.465	OMQMNJAFFVPXGC-JXFKEZNVSA-N	00100010000000110001010000000000000000000000000000000000	22-01-153695
COc1ccc(NC(=O)[C@@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)c(C)c1	ZINC22_260836355	386.465	OMQMNJAFFVPXGC-OXJNMPFZSA-N	00100010000000110001010000000000000000000000000000000000	22-01-153696
CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)N[C@@]34CCC[C@@H]3C4)cc2)c1	ZINC22_666134595	386.465	BDJVMJHQLMPNIY-JLTOFOAXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153697
CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)N[C@@]34CCC[C@H]3C4)cc2)c1	ZINC22_666134596	386.465	BDJVMJHQLMPNIY-VBKZILBWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153698
CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)N[C@]34CCC[C@@H]3C4)cc2)c1	ZINC22_666134597	386.465	BDJVMJHQLMPNIY-VLIAUNLRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153699
CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)N[C@]34CCC[C@H]3C4)cc2)c1	ZINC22_666134598	386.465	BDJVMJHQLMPNIY-XOBRGWDASA-N	00100010000010110000010000000000000000000000000000000000	22-01-153700
O=C(NC12CCCC1C2)Nc1ccc(cc1)Oc1cccc(c1)S(=O)(=O)C	MCULE-8182351197,EMOLS-id_316915693	386.465	BDJVMJHQLMPNIY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153701
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1csc(c2ccncc2)n1	ZINC22_1330225574	386.468	HIZFNGLKVRRCHC-KCQAQPDRSA-N	00100010100000101001110000000000000000000000000000000000	22-01-153702
O=C(N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)CNS(=O)(=O)c1cccnc1	EMOLS-id_319895257,MCULE-1076226609	386.468	JDSWXGDMPXHZPB-DZFIZOCASA-N	00100010000000111000010000000000000000000000000000000000	22-01-153703
CC(C)(C)c1nccc(n1)c1cnc(NC(=O)N2CC3CC3C2C(=O)N)s1	BindingDB-id_198633,PC-id_91801268,BindingDB_PC-id_91801268	386.471	DMOPXNHLKVNOOY-UHFFFAOYSA-N	00100010100000100001110000000000000000000000000000000000	22-01-153704
O=C(N1CC[C@H]2[C@@]1(C2)C(=O)N)Nc1nc(c(s1)c1ccnc(n1)C(C)C)C	SCHEMBL13781718,PC-id_57748122	386.471	KXCIFLPZRRTTFQ-ZMZPIMSZSA-N	00100010100000100001110000000000000000000000000000000000	22-01-153705
O1C2C1CCC(C2)C(O)COC(COCC(O)C1CC2OC2CC1)COC	PC-id_22889668	386.48	GKVCDWJQWPAKFD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153706
C12(C(=O)OCC)C(=O)OC(C)(C)C1C2(CC)C(=O)c1ccc(cc1)C(C)(C)C	EMOLS-id_2305307,MCULE-6507739053,TIMTEC381391,ChEMBL-DNDi_CHEMBL6960393,Chemmine_11420,PC-id_2920756,STOCK1N-29647,CNP0107145	386.481	PLDYGSKHZGDVNQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153707
c1c(=O)oc(c(c1OC)C)/C(=C/C(=C/C(=C/[C@@]1(O[C@@H]([C@@]2([C@H]1O2)C)C)C)/C)/C)/C	ZINC22_230140599,PC-id_100899241,CMNPD30691	386.481	LRRJYOPCACBLEA-MHWPPRIHSA-N	00100010000000100000010000000000000000000000000000000000	22-01-153708
C(=CC(=CC(=CC1(C)OC(C)C2(C)OC12)C)C)(/c1oc(=O)cc(c1C)OC)C	PC-id_24039294,MCULE-9194683728,EMOLS-id_50894991	386.481	LRRJYOPCACBLEA-OIUIQZGASA-N	00100010000000100000010000000000000000000000000000000000	22-01-153709
CC[C@@H](C1C[C@H]2[C@@H]([C@H]1C#CC(=O)OC)O2)OC(=O)CCCC/C=CCC#CC	PC-id_135073342	386.481	AXZRBOCWTYOJLT-SWAMBLRJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-153710
C=CCOC(=O)/C(=CC#C/C(=C/CO)/C)/C=C/[C@@]12O[C@]1(C)C[C@H](CC2(C)C)O	PC-id_101165907	386.481	KZJFAOSXRZDQRV-ALSWBMAMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153711
CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@]2(CC)C(=O)c1ccc(C(C)(C)C)cc1	CoCoCo_858879,ZINC22_4029770,PC-id_7079404	386.481	PLDYGSKHZGDVNQ-RTFZILSDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153712
CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@@]2(CC)C(=O)c1ccc(C(C)(C)C)cc1	PC-id_7079405,ZINC22_4029771,CoCoCo_858880	386.481	PLDYGSKHZGDVNQ-IMRHEYAYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153713
CCOC(=O)[C@]12C(=O)OC(C)(C)[C@@H]1[C@]2(CC)C(=O)c1ccc(C(C)(C)C)cc1	PC-id_98060525,ZINC22_100129506	386.481	PLDYGSKHZGDVNQ-VSDWSMLSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153714
CCOC(=O)[C@@]12C(=O)OC(C)(C)[C@H]1[C@@]2(CC)C(=O)c1ccc(C(C)(C)C)cc1	PC-id_98242435,ZINC22_101791611	386.481	PLDYGSKHZGDVNQ-JJEOQYAHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153715
CCOC(=O)[C@]12C(=O)OC(C)(C)[C@@H]1[C@@]2(CC)C(=O)c1ccc(C(C)(C)C)cc1	ZINC22_100129508,PC-id_98060526	386.481	PLDYGSKHZGDVNQ-ZQMYSKGWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153716
CCOC(=O)[C@@]12C(=O)OC(C)(C)[C@@H]1[C@]2(CC)C(=O)c1ccc(C(C)(C)C)cc1	ZINC22_100747534,CoCoCo_858881	386.481	PLDYGSKHZGDVNQ-MQNAVGNWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153717
CCOC(=O)[C@@]12C(=O)OC(C)(C)[C@@H]1[C@@]2(CC)C(=O)c1ccc(C(C)(C)C)cc1	ZINC22_1321182,CoCoCo_858882,PC-id_1426455	386.481	PLDYGSKHZGDVNQ-NLSFWIRASA-N	00100010000000110000010000000000000000000000000000000000	22-01-153718
COc1cc(=O)oc(/C(=C/C(=C/C(=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@H]23)/C)/C)/C)c1C	ZINC22_225396373,PC-id_100615214	386.481	LRRJYOPCACBLEA-MNYYENQFSA-N	00100010000000100000010000000000000000000000000000000000	22-01-153719
COc1cc(=O)oc(/C(=C/C(=C/C(=C/[C@]2(C)O[C@H](C)[C@]3(C)O[C@H]23)/C)/C)/C)c1C	ZINC22_252515576	386.481	LRRJYOPCACBLEA-GKKHCTEFSA-N	00100010000000100000010000000000000000000000000000000000	22-01-153720
COc1cc(=O)oc(/C(=C/C(=C/C(=C/[C@]2(C)O[C@H](C)[C@]3(C)O[C@@H]23)/C)/C)/C)c1C	ZINC22_252515577	386.481	LRRJYOPCACBLEA-KLDUGXKXSA-N	00100010000000100000010000000000000000000000000000000000	22-01-153721
COC(=O)CCc1cccc(c1)CC1C(CC2C1C2C=O)OC(=O)C(C)(C)C	PC-id_20386031,SCHEMBL11531613	386.481	VQSYTXHRXVTFIO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153722
COC(=O)CCc1cccc(c1)CC1(CCC2C1C2C=O)OC(=O)C(C)(C)C	SCHEMBL11525724,PC-id_20386027	386.481	JJKCNDBCOQIALZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153723
O=c1oc(C(=CC(=CC(=CC2(OC(C)C3(OC23)C)C)C)C)C)c(c(OC)c1)C	CNP0087363,PC-id_74167854	386.481	LRRJYOPCACBLEA-UHFFFAOYSA-N	00100010000000100000010000000000000000000000000000000000	22-01-153724
C12(CC)CN(CC1C2)C(=O)C1CCN(CC1)C(=O)c1cc(OC)cc(OC)c1	MCULE-9820679552,EMOLS-id_317904847	386.485	PNZAZYCMVKTKPZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153725
CC[C@]12C[C@H]1CN(C(=O)C1CCN(C(=O)c3cc(OC)cc(OC)c3)CC1)C2	ZINC22_1772819087	386.485	PNZAZYCMVKTKPZ-HTAPYJJXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153726
CC[C@@]12C[C@H]1CN(C(=O)C1CCN(C(=O)c3cc(OC)cc(OC)c3)CC1)C2	ZINC22_1772819088	386.485	PNZAZYCMVKTKPZ-JTSKRJEESA-N	00100010000010110000010000000000000000000000000000000000	22-01-153727
CC[C@]12C[C@@H]1CN(C(=O)C1CCN(C(=O)c3cc(OC)cc(OC)c3)CC1)C2	ZINC22_1772819089	386.485	PNZAZYCMVKTKPZ-VGOFRKELSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153728
CC[C@@]12C[C@@H]1CN(C(=O)C1CCN(C(=O)c3cc(OC)cc(OC)c3)CC1)C2	ZINC22_1772819090	386.485	PNZAZYCMVKTKPZ-VGSWGCGISA-N	00100010000010110000010000000000000000000000000000000000	22-01-153729
CC(C(=O)O)CN1CC2[C@H](C1)[C@H]2NC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4075812	386.485	RBZXHJPMKKDPII-DGQMIVSFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153730
O1C(OCC1)CN1CC2C(C2NC(=O)C(O)(C2CCCC2)c2ccccc2)C1	PC-id_68905754,SCHEMBL4084043	386.485	SAACLQHNXGQFHN-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-153731
O1C(OCC1)CN1CC2[C@@H](C2NC(=O)C(O)(C2CCCC2)c2ccccc2)C1	PC-id_68905757	386.485	SAACLQHNXGQFHN-LMVYJXDASA-N	00100010000000110001010000000000000000000000000000000000	22-01-153732
O=C(C(c1ccccc1)(C1CCCC1)O)N[C@@H]1[C@@H]2C1CN(C2)CC1OCCO1	SCHEMBL4084049	386.485	SAACLQHNXGQFHN-AZGXVLKGSA-N	00100010000000110001010000000000000000000000000000000000	22-01-153733
OC(C(=O)NC1C2C1CN(C2)CC(C)C(=O)O)(C1CCCC1)c1ccccc1	PC-id_77548899	386.485	RBZXHJPMKKDPII-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153734
OC(C(=O)NC1C2[C@@H]1CN(C2)CC(C)C(=O)O)(C1CCCC1)c1ccccc1	PC-id_68902520	386.485	RBZXHJPMKKDPII-QDHAHWBHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153735
O=C(NC1C2C1CNC2)C(OC(=O)C(O)(C1CCCCC1)c1ccccc1)C	PC-id_10045705	386.485	QTPLMIBJBZWZAX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153736
O=C(NC1C2C1CNC2)COC(=O)C(O)(C1CCCCCC1)c1ccccc1	PC-id_10317996	386.485	OZIRLSYPZRXDKD-UHFFFAOYSA-N	00100010000000110100010000000000000000000000000000000000	22-01-153737
O=S(=O)(c1ccc(cc1)S(=O)(=O)N1CCOCC1)NC1CC2C(C1)C2	EMOLS-id_102228888	386.486	YDGBGQDSWCDVCX-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-153738
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)c1ccccc1)CC1C2C1CNC2	PC-id_69665341,SCHEMBL6103595	386.489	CYFPTLUUAPPFBF-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-153739
Cn1cnc(c1)C(=O)N(Cc1ccc(cc1)c1ccccc1)CC1C2C1CNC2	SCHEMBL6102624,PC-id_11952391	386.489	RDCYFRMPEUQPKR-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-153740
O=C(NC12CCCC1C2)NCc1ccccc1c1ccc(cc1)Cn1ccnc1	EMOLS-id_316889316,MCULE-4560659663	386.489	BDUVOFLINDLMQJ-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-153741
O=C(NCc1ccccc1c1ccc(Cn2ccnc2)cc1)N[C@]12CCC[C@@H]1C2	ZINC22_663986235	386.489	BDUVOFLINDLMQJ-QPPBQGQZSA-N	00100010100010110001110000000000000000000000000000000000	22-01-153742
O=C(NCc1ccccc1c1ccc(Cn2ccnc2)cc1)N[C@@]12CCC[C@H]1C2	ZINC22_663986237	386.489	BDUVOFLINDLMQJ-XUZZJYLKSA-N	00100010100010110001110000000000000000000000000000000000	22-01-153744
O=C(NCc1ccccc1c1ccc(Cn2ccnc2)cc1)N[C@@]12CCC[C@@H]1C2	ZINC22_663986238	386.489	BDUVOFLINDLMQJ-ZJSXRUAMSA-N	00100010100010110001110000000000000000000000000000000000	22-01-153745
C1CCC(CC1)NCC(=O)[N+]1(CCCC2C1(C2)C(=O)N)Cc1cnc(cc1)N	PC-id_88125905	386.511	NKMKIKFRQRCRAE-UHFFFAOYSA-O	00100000000010101000010000000000000000000000000000000000	22-01-153746
Cc1ccc(cc1)S(=O)(=O)N1CC2CC2CC1CNc1nc(cc(n1)C)C	PC-id_87519101	386.511	NJONIMSVLJLTMV-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-153747
Cc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1nc(C)cc(n1)C	SCHEMBL3390593,PC-id_59363659	386.511	NJONIMSVLJLTMV-SQNIBIBYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-153748
CC(C)CC(C(=O)[N+]1(CCCC2C1(C2)C(=O)N)Cc1ccc(cc1)C(=N)N)N	PC-id_88125971	386.511	MDMBWYVSGDLBPJ-UHFFFAOYSA-O	00100000000010110000010000000000000000000000000000000000	22-01-153749
CC(C[C@H](C(=O)[N+]1(CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1ccc(cc1)C(=N)N)N)C	SCHEMBL7308803	386.511	MDMBWYVSGDLBPJ-QUTVGCPOSA-O	00100000000010110000010000000000000000000000000000000000	22-01-153750
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CNC(=O)c1nc(cc(c1)C(=O)NC1[C@@H]2[C@H]1COC2)C(c1ccccn1)Cl	PC-id_138571807	386.832	NYEAWRJBEAJUTF-GKUGFIGPSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153834
CNC(=O)c1nc(cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)C(c1ccccn1)Cl	SCHEMBL20929867	386.832	NYEAWRJBEAJUTF-KNFPRCQESA-N	00100010000000101000010000000000000000000000000000000000	22-01-153835
Clc1cccc(n1)c1nc(NC2C3C2COC3)nc(n1)NC1C2[C@@H]1COC2	SCHEMBL18557090	386.835	CBYBEVCADOLNTG-CKMYAQBTSA-N	00100010000000101001110000000000000000000000000000000000	22-01-153836
Clc1cccc(n1)c1nc(NC2C3[C@@H]2COC3)nc(n1)NC1[C@@H]2[C@H]1COC2	PC-id_144770939	386.835	CBYBEVCADOLNTG-CUMHGHEHSA-N	00100010000000101001110000000000000000000000000000000000	22-01-153837
Clc1cccc(n1)c1nc(NC2C3COCC23)nc(NC2C3COCC23)n1	BindingDB_PC-id_117817326,BindingDB-id_532519,PC-id_117817326,SCHEMBL16393040	386.835	CBYBEVCADOLNTG-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-153838
Clc1cccc(n1)c1nc(NC2[C@@H]3[C@H]2COC3)nc(n1)NC1[C@@H]2[C@H]1COC2	SCHEMBL16392974,PC-id_117817265	386.835	CBYBEVCADOLNTG-RYHLOUQKSA-N	00100010000000101001110000000000000000000000000000000000	22-01-153839
Nc1nc(nc(n1)c1cccc(n1)Cl)N(C1[C@@H]2[C@H]1COC2)C1[C@@H]2[C@H]1COC2	PC-id_122440894,SCHEMBL17960917	386.835	GXOABIIYKUWWFP-RYHLOUQKSA-N	00100010000000101001110000000000000000000000000000000000	22-01-153840
O=C(Cn1cnnn1)NC1[C@@H]2[C@H]1CN(C2)C(=O)C1(CC1)c1ccc(cc1)Cl	PC-id_146147596	386.835	BEFIBWSQJHTIBS-MZBDJJRSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-153841
O=C(Cn1cnnn1)N[C@H]1[C@@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CC3)C[C@H]12	ZINC22_1875324508	386.835	BEFIBWSQJHTIBS-FOLVSLTJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-153842
O=C(Cn1nncn1)NC1[C@@H]2[C@H]1CN(C2)C(=O)C1(CC1)c1ccc(cc1)Cl	PC-id_145902961	386.835	HZCFLXKSOHEGFC-MZBDJJRSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-153843
BrC(C1CC2C(C2)C1)c1cc(OC)c(OC)cc1Br	PC-id_80469616	390.11	CCRVLJMVEPSAAC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154498
O=C(Cn1nncn1)N[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)C1(CC1)c1ccc(cc1)Cl	EMOLS-id_324068921	386.835	HZCFLXKSOHEGFC-FOLVSLTJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-153844
C1[C@H](N(C2C(C1(F)F)O2)I)I	PC-id_154487167	386.843	YENIYFDNNNSBHN-WXJVFSNFSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153845
O=C(N1CC[C@@]2([C@H](C1)C2)O)NCc1ccccc1COc1ccccc1Cl	MCULE-4529807794,EMOLS-id_257936135	386.872	OKTWMTSVRSJJPW-LAUBAEHRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153846
O=C(C1C2C1CCC2)N1CCN(CC1)Cc1onc(n1)c1ccc(cc1)Cl	EMOLS-id_100341123	386.875	KCZKBONKFLGDCZ-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-153847
COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[C@H]2C[C@@H]12	ZINC22_2325765620	386.894	SQZPEUNBVHUNMO-GMXVVIOVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153848
COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]12	ZINC22_2325765621	386.894	SQZPEUNBVHUNMO-GVXVVHGQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153849
COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@H]12	ZINC22_2325765622	386.894	SQZPEUNBVHUNMO-MDZLAQPJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153850
COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]12	ZINC22_2325765623	386.894	SQZPEUNBVHUNMO-NTZNESFSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153851
COCCNC(=O)C12CC1CCN2S(=O)(=O)c1cc(C)c(Cl)cc1C	EMOLS-id_324102715	386.894	ORVOPDKEKQZTCP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153852
COCCNC(=O)[C@@]12C[C@H]1CCN2S(=O)(=O)c1cc(C)c(Cl)cc1C	ZINC22_2056224992	386.894	ORVOPDKEKQZTCP-CXAGYDPISA-N	00100010000000110000010000000000000000000000000000000000	22-01-153853
COCCNC(=O)[C@]12C[C@H]1CCN2S(=O)(=O)c1cc(C)c(Cl)cc1C	ZINC22_2056224993	386.894	ORVOPDKEKQZTCP-DYVFJYSZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153854
COCCNC(=O)[C@]12C[C@@H]1CCN2S(=O)(=O)c1cc(C)c(Cl)cc1C	ZINC22_2056224994	386.894	ORVOPDKEKQZTCP-GUYCJALGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153855
COCCNC(=O)[C@@]12C[C@@H]1CCN2S(=O)(=O)c1cc(C)c(Cl)cc1C	ZINC22_2056224995	386.894	ORVOPDKEKQZTCP-SUMWQHHRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153856
O=C(N[C@@H]1C2S1CN(C2)C(=O)OC(C)(C)C)COc1ccc(cc1)Cl	SCHEMBL19709198	386.894	IBNIVSLDWMWWSV-WUJWULDRSA-N	00100010000000110001010000000000000000000000000000000000	22-01-153857
ClC1OC(C2C1C2)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85250924	386.987	UEGBUCAIYFYYDX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153858
Cl[C@@H]1O[C@H]([C@@H]2[C@H]1C2)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10738942	386.987	UEGBUCAIYFYYDX-JSXRDJHFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153859
Cl[C@H]1O[C@@H]([C@H]2[C@@H]1C2)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11101116	386.987	UEGBUCAIYFYYDX-MHTWAQMVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153860
CCC(=O)c1cc(c(o1)C(C)c1cc(ccc1)Cl)C(=O)NC1[C@H]2[C@@H]1COC2	PC-id_163975327	387.124	STPFKVODRCNOHM-STXPJUNKSA-N	00100010101000110000010000000000000000000000000000000000	22-01-153861
CCC(=O)c1cc(c(o1)[C@H](C)c1cc(ccc1)Cl)C(=O)NC1[C@H]2[C@@H]1COC2	PC-id_163975325	387.124	STPFKVODRCNOHM-LTMKTZQHSA-N	00100010101000110000010000000000000000000000000000000000	22-01-153862
CCC(=O)c1cc(c(o1)[C@@H](C)c1cc(ccc1)Cl)C(=O)NC1[C@H]2[C@@H]1COC2	PC-id_163975326	387.124	STPFKVODRCNOHM-PBXWDFGZSA-N	00100010101000110000010000000000000000000000000000000000	22-01-153863
CCOC(=O)C1C2C1[C@H](C[C@H]2C(=O)OCc1ccccc1)Sc1ncn[nH]1	PC-id_163935939	387.125	RMUQOMPRCCZKDR-KJVSCNHFSA-N	00100010100010110001010000000000000000000000000000000000	22-01-153864
CCCC[Sn](CCCC)(CCCC)[C@@H]1[C@H]2[C@@H]1C(=O)OC2	PC-id_134999536	387.136	OZZDHFMCLSSGIH-NLTCHVQYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-153865
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517055	387.14	WEBIIVUBVYVTGH-ZLIDZYOXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153866
CCC(C1[C@H]2[C@@H]1CC(C2)NC3=NC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)Cl	PC-id_148731991	387.151	OBDOXLLUEVPHQA-QBZDVNTPSA-N	00100010000010111000010000000000000000000000000000000000	22-01-153867
CN(C)CC12CC(NC1C2)C(=O)NC3=CC=CC(=C3F)C4=CC=CC=C4Cl	PC-id_153298449	387.151	VJRLMTFVPBZXFF-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-153868
Brc1c(C(NC)C2C3C2CCCC3)cc(Br)c(c1)C	PC-id_81631757	387.153	SZVJYPXCXXANPL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153869
Brc1c(C(NCC)C2C3C2CCC3)cc(Br)c(c1)C	PC-id_81631863	387.153	YDMUZFUCCYEYMN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153870
Brc1c(C(NCC)C2C3C2CCCC3)cc(Br)cc1	PC-id_81624820	387.153	XYQZJLZXZMCWIJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153871
Brc1c(C(NCC)C2CC3C(C3)C2)cc(Br)c(c1)C	PC-id_81474059	387.153	WIPLIPPGPSRPDE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153872
Brc1c(C(NCCC)C2C3C2CCC3)cc(Br)cc1	PC-id_81624148	387.153	VGNKCWVVOORWPW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153873
Brc1c(C(NCCC)C2CC3C(C3)C2)cc(Br)cc1	PC-id_80468667	387.153	WXQBBWVMMCRDJV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153874
O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)N1CC[C@@H]2[C@@H](C1)C2(F)F	ZINC22_2325751564	387.157	NMPMNFMALRCNHT-HTQZYQBOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153875
O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)N1CC[C@H]2[C@@H](C1)C2(F)F	ZINC22_2325751565	387.157	NMPMNFMALRCNHT-JGVFFNPUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153876
O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)N1CC[C@@H]2[C@H](C1)C2(F)F	ZINC22_2325751566	387.157	NMPMNFMALRCNHT-SFYZADRCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153877
O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)N1CC[C@H]2[C@H](C1)C2(F)F	ZINC22_2325751567	387.157	NMPMNFMALRCNHT-YUMQZZPRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153878
[B]C1C2CC2(C(C1(C)O)O)OC[P+](=C)C(C[P+](=C)CC)[P+](=C)CC	PC-id_88884386	387.159	PSQSRELCEPFIAN-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-153879
CCCC[Sn](CCCC)(CCCC)[C@H]1[C@H]2[C@@H]1[C@@H](CC2)O	PC-id_134963342	387.179	OUHSWDLLDCKUHA-ZRRPJPAHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-153880
[Sn](C12OC1CCCC2)(CCCC)(CCCC)CCCC	PC-id_15683323	387.179	IMJCVZFMOBODGB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153881
CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)OC2C[C@@H]3[C@H](C2)C3(F)F	PC-id_146985093	387.197	APBSHABHDXHAAJ-NTWDBFDFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-153882
C1CCCC(CCC1)C(C1=CC=CC=CC=C1)(C1=C2CC2=CC=CC=C1)N=S	PC-id_163936458	387.202	RNGAUOXCXFADEO-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-153883
CC1(C2C1C2)OC(=O)[C@H](CCC(CCCF)C(=O)O)NC(=O)OC(C)(C)C	PC-id_164062438	387.206	WICMRFXFNARDGS-DHMWACEASA-N	00101000000000000000010000000000000000000000000000000000	22-01-153884
CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC4C(O4)C=C3	PC-id_165340202	387.22	LAGSUMQPBWVPNQ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-153885
CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC3C(O3)C=C2)C4=CC=CC=C4	PC-id_165340214	387.22	JAVNVYYFWMYHIW-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-153886
CC(C)C(=O)N1CC2C(C1C(=O)NC(CC3CC(CC3=O)(C)C)C#N)C2(C)C	PC-id_160496050	387.252	NHIGYHCLGVQMEW-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-153887
OC(=O)CC1=CC2(C(C=C1)C2)Oc1cccc(c1)c1ccc(c(c1)Cl)Cl	PC-id_145473166	387.256	ZHCVVBKSXJQVIH-UHFFFAOYSA-N	00100000000011110000110000000000000000000000000000000000	22-01-153888
COCCOCCCC12C(C1C2(CCCCN)C(=O)O)CCOCCOC	PC-id_164081847	387.262	WYIRTHAJSKRMQC-UHFFFAOYSA-N	00101000000000000000010000000000000000000000000000000000	22-01-153889
CC(=O)Nc1ccc(cc1Br)S(=O)(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111930757	387.292	NTVKYOFJQRZMNH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153890
O=C(c1ccc(c(c1)Br)S(=O)(=O)N(C)C)NC1CC2C(C1)C2	EMOLS-id_102235904	387.292	VAEIFMYMVQTSKK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153891
[2H]C([2H])([2H])C1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)OC)C([2H])([2H])[2H]	PC-id_154070590	387.3	BOAWSIPWPIUQLQ-KEQYAXOISA-N	00100010000000000000010000000000000000000000000000000000	22-01-153892
CCOC(=O)C(=CC1C(CC(C2C1C2(C)C)Br)C)C(=O)OCC	SCHEMBL20548291,PC-id_135368747	387.309	YPTKWSSQNWQFQO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153893
C[C@H]1C=C[C@H]2C[C@@H]2[C@H]1[C@H](C)CC/C=C/C(=C(C(C)C)/N(C[C@H](O)OC)C=C)/C	PC-id_147136204	387.314	BRFAXQMNYIMOJQ-BEZNQYSUSA-N	00100000000011000000010000000000000000000000000000000000	22-01-153894
Brc1csc(c1)C(NC1C2C1CN(C2)C(=O)OC(C)(C)C)C	PC-id_107354579	387.335	MSYWSXWVMXHSRN-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-153895
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CC(C(=O)NC1(CC(C2C1C2OC(=O)O)Sc1ncn[nH]1)OC(=O)O)N	PC-id_89800502	387.368	XBZLZVCGYHMGNV-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-153899
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F[C@@H]1[C@](N)([C@H]2[C@H]([C@@H]2C(=O)OC(OC(=O)OC2CCCCCC2)C)C1)C(=O)O	PC-id_72550545	387.4	BMURTCKUBSCNOA-ALGUQGIRSA-N	00100010000010000100010000000000000000000000000000000000	22-01-153908
Cc1ccc(cc1)S[C@H]1O[C@@H]([C@H]2[C@@H]1O2)COC(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_101241146	387.406	HIOZLNMCRWFPAT-VUHPKUFZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153909
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COP(=O)(OCCCCCCNC(=O)OCC1C2C1CCC#CCC2)O	PC-id_122548707,SCHEMBL18086302	387.408	AHVVVGWGEUDCIY-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-153911
CCC1C2C(C2C(C1=C)(CC)C(=O)ON)C(=O)OC(=O)OCc1ccccc1	PC-id_88229154	387.426	GMCMZHAGTLZPFR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153912
CCc1ccc(cc1)Cc1c(cc(cc1)N)OC1C(C2(C(C2(O1)CO)O)O)O	PC-id_91273828	387.426	OZYPGRXECLVPEG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153913
CCCCC(CC)C(=O)Oc1ccccc1C(=O)N(C1=CC(=O)C2C(C1)O2)O	SCHEMBL1286377,PC-id_87222942	387.426	GAORTYNBJRPOAI-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-153914
CCCCC(C(=O)Oc1ccccc1C(=O)NC1=CC(=O)C2C(C1O)O2)CC	SCHEMBL1286376,PC-id_49847628	387.426	GYLHQWFMGBUABT-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-153915
CC[C@@H]1C2[C@@H]([C@H]2[C@](C1=C)(CC)C(=O)ON)C(=O)OC(=O)OCc1ccccc1	SCHEMBL7962942	387.426	GMCMZHAGTLZPFR-SDRBMTTKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153916
CCOC(=O)C1C2C1C(CC2=C)(C(=O)OCC)NC(=O)OCc1ccccc1	PC-id_86691272	387.426	XFXBGQXNTKLSKT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153917
CCOC(=O)[C@@]1(N)C(=CC(=O)OCc2ccccc2)CC2[C@H]1[C@H]2C(=O)OCC	PC-id_70053942,SCHEMBL7317711	387.426	RQZJNHKDBLCKAM-GVTIRNABSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153918
CCOC(=O)[C@]1(NC(=O)OCc2ccccc2)CC(=C)[C@@H]2[C@H]1[C@H]2C(=O)OCC	SCHEMBL15144254	387.426	XFXBGQXNTKLSKT-IAGYGMIVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153919
[Na+].S(=O)(=O)(N[C@@H]1[C@H](C2OC2C1)C/C=CCCCC(=O)[O-])c1ccccc1	CHEMBL80710	387.426	AZXVZOWGVNBMOM-BQKMGPRBSA-M	00100010000000110000010000000000000000000000000000000000	22-01-153920
[Na+].S(=O)(=O)(N[C@H]1[C@H](C2O[C@H]2C1)C/C=CCCCC(=O)[O-])c1ccccc1	CHEMBL76622	387.426	AZXVZOWGVNBMOM-CSZWMLAPSA-M	00100010000000110000010000000000000000000000000000000000	22-01-153921
[Na+].S(=O)(=O)(N[C@@H]1[C@H](C2O[C@H]2C1)C/C=CCCCC(=O)[O-])c1ccccc1	CHEMBL76854	387.426	AZXVZOWGVNBMOM-SMPFWIQASA-M	00100010000000110000010000000000000000000000000000000000	22-01-153922
O(C(=O)C1C2C1CC(=CC(=O)OCc1ccccc1)C2(N)C(=O)OCC)CC	PC-id_54281331	387.426	RQZJNHKDBLCKAM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153923
O(C(=O)[C@H]1[C@@H]2C1CC(=CC(=O)OCc1ccccc1)[C@@]2(N)C(=O)OCC)CC	PC-id_57191372	387.426	RQZJNHKDBLCKAM-XVAUCQCESA-N	00100010000000110000010000000000000000000000000000000000	22-01-153924
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)CN1CCN(CC1)c1cccc(C)c1	EMOLS-id_317387634,MCULE-5747959236,PC-id_135095303,ZINC22_1704313307	387.43	INTBFMHCZYYHNK-BGYRXZFFSA-N	00100010000010110001110000000000000000000000000000000000	22-01-153925
C=CCOCc1cccnc1NC(=O)[C@@H]1C[C@@]2([C@H](N1C(=O)O)C2)COCC=C	PC-id_135318712,SCHEMBL20488559	387.43	IUJPIJTZICDEGP-YRNRMSPPSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153926
CCOCC(c1ccc(cc1)C[C@@H](C(=O)NC1=C(C)C2N(C1=O)C2)N)C(=O)O	SCHEMBL16312766,PC-id_117754663	387.43	UXYUZPWBSDRXRO-KTYAGQTLSA-N	00100011000000110000010000000000000000000000000000000000	22-01-153927
O=C(c1ccccc1)N1CC2[C@H](C1)C2Nc1nc(cc(=O)n1C)c1ccncc1	PC-id_68217021,SCHEMBL12207251	387.434	HCVLTIBVDRYOMS-VXESANQCSA-N	00100010000000111001110000000000000000000000000000000000	22-01-153928
O=C(c1ccccc1)N1C[C@@H]2[C@H](C1)C2Nc1nc(cc(=O)n1C)c1ccncc1	SCHEMBL2490764,PC-id_59576733	387.434	HCVLTIBVDRYOMS-XEWABKELSA-N	00100010000000111001110000000000000000000000000000000000	22-01-153929
O=C(c1ccccc1)N1C[C@@H]2[C@H](C1)[C@H]2Nc1nc(cc(=O)n1C)c1ccncc1	SCHEMBL2490759	387.434	HCVLTIBVDRYOMS-YRWFTTLQSA-N	00100010000000111001110000000000000000000000000000000000	22-01-153930
O=C(c1ccccc1)N1C[C@@H]2[C@H](C1)[C@@H]2Nc1nc(cc(=O)n1C)c1ccncc1	SCHEMBL2490762	387.434	HCVLTIBVDRYOMS-XEMDLRDOSA-N	00100010000000111001110000000000000000000000000000000000	22-01-153931
O=C(N1CC2C(C2Nc2n(c(=O)cc(n2)c2ccncc2)C)C1)c1ccccc1	PC-id_72330874	387.434	HCVLTIBVDRYOMS-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-153932
N#CC1C(C=C2C1C2)Nc1cc(nc(n1)C(=C)c1nccnc1C)N1COCC1	PC-id_142374270	387.438	IEGXAJWMLJBFGV-UHFFFAOYSA-N	00100011000000100001110000000000000000000000000000000000	22-01-153933
Cc1ccc(F)cc1C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(C(C)C)C3)[C@H]2C1	ZINC22_1775991872	387.448	NJMHTJOTGFNZBO-CKNFYHOISA-N	00100010000000110000010000000000000000000000000000000000	22-01-153934
Cc1ccc(F)cc1C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)[C@H]2C1	ZINC22_1775991873	387.448	NJMHTJOTGFNZBO-WKCGWZECSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153935
O=C(C1CC(=O)N(C1)C(C)C)N[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1cc(F)ccc1C	MCULE-4395545346,EMOLS-id_317057869	387.448	NJMHTJOTGFNZBO-LNZWGBSXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153936
Cc1ccc(cc1)S(=O)(=O)N(C(=O)OCc1ccccc1)C1C[C@@H]2[C@H](C1)O2	PC-id_100927501	387.449	OOQVQRCEOMRHCK-JLYLLQBASA-N	00100010000000110000010000000000000000000000000000000000	22-01-153937
COC(=O)[C@@H]1[C@@H]2[C@]1(CN(C2)S(=O)(=O)c1ccc(cc1)C)C(=C)c1ccco1	PC-id_101172416	387.449	DPBQITPMDILNOM-KPFFTGBYSA-N	00100010101000110000010000000000000000000000000000000000	22-01-153938
COC(=O)[C@H]1[C@@H]2[C@]1(CN(C2)S(=O)(=O)c1ccc(cc1)C)C(=C)c1ccco1	PC-id_101172419	387.449	DPBQITPMDILNOM-POAQFYNOSA-N	00100010101000110000010000000000000000000000000000000000	22-01-153939
CC1=CC2C(C2(C)C)C[C@@H]1C(C)OC(=O)NP(=O)(OC(C)C)OC(C)C	PC-id_137326631	387.451	FFUWAFSJLLCEKX-YSURMTKTSA-N	00100000000011000000010000000000000000000000000000000000	22-01-153940
CC(C)OP(=O)(NC(=O)OC(C)[C@@H]1CC2C(C=C1C)C2(C)C)OC(C)C	PC-id_2783760,EMOLS-id_336474538	387.451	FFUWAFSJLLCEKX-ZKDDFBJFSA-N	00100000000011000000010000000000000000000000000000000000	22-01-153941
NC(=O)CCC(C(=O)O)CP(=O)(CC(C1CC(C2(C1(C)C2C)C)C)C)O	PC-id_142893842	387.451	PHDSYRYXCZXXGI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-153942
P(=O)(OC(C)C)(OC(C)C)NC(=O)OC(C1CC2C(C2C=C1C)(C)C)C	PC-id_78292501	387.451	FFUWAFSJLLCEKX-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-153943
Fc1c(C(=CC(=O)N(C(=C)N(C2C3C2CN(C3)C(=C)NN)C)C)N)ccnc1	PC-id_77427954	387.454	ULAPTFFNXGETOA-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153944
Fc1c(/C(=C/C(=O)N(C(=C)N(C2[C@@H]3[C@H]2CN(C3)C(=C)NN)C)C)/N)ccnc1	PC-id_68217078	387.454	ULAPTFFNXGETOA-ASBOPZEGSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153945
NNC(=C)N1C[C@@H]2[C@H](C1)[C@H]2N(C(=C)N(C(=O)/C=C(/c1ccncc1F)N)C)C	SCHEMBL12207875	387.454	ULAPTFFNXGETOA-CGSHKYPQSA-N	00100010000000101000010000000000000000000000000000000000	22-01-153946
O(C1(OC)[NH+]=C(N)C2(C(C12C#N)(Cc1ccccc1)Cc1ccccc1)C#N)C	PC-id_78737092	387.454	RTBYVJGNDHYWRE-UHFFFAOYSA-O	00100011000000110000010000000000000000000000000000000000	22-01-153947
O(C1(OC)[NH+]=C(N)[C@]2(C([C@@]12C#N)(Cc1ccccc1)Cc1ccccc1)C#N)C	PC-id_8608882	387.454	RTBYVJGNDHYWRE-FCHUYYIVSA-O	00100011000000110000010000000000000000000000000000000000	22-01-153948
O(C1(OC)[NH+]=C(N)[C@@]2(C([C@]12C#N)(Cc1ccccc1)Cc1ccccc1)C#N)C	PC-id_8608888	387.454	RTBYVJGNDHYWRE-YADHBBJMSA-O	00100011000000110000010000000000000000000000000000000000	22-01-153949
CCC1(COC2CCCOC2)N(Cc2ccccc2)C(=O)C2(C1C2C)C(=O)O	PC-id_67789796,SCHEMBL9183476	387.469	FHAJLECMPWDHPT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153950
CCC1N(Cc2ccccc2)C(=O)C2(C1(COC1CCCCO1)C2C)C(=O)O	SCHEMBL9183468,PC-id_20089890	387.469	LKIVLOOLCUFDFY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153951
C=CCc1cccc(c1)COC[C@]12C[C@H](N([C@@H]2C1)C(=O)OC(C)(C)C)C(=O)O	PC-id_135318873,SCHEMBL20488751	387.469	VRNBOVMZRHRQMV-SVMVAKDDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153952
C=CCc1cccc(c1)COCC12CC(N(C2C1)C(=O)OC(C)(C)C)C(=O)O	SCHEMBL20488324,PC-id_135318490	387.469	VRNBOVMZRHRQMV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153953
CC=C(CO)C=C(C)C=C(C)C=CC=C(C)C(=O)C12C(O1)C(NC2=O)CCO	PC-id_91820349	387.469	JRILNOGTDDRWKP-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-153954
CCOC(=O)C12C(=O)N(CC1(C2C)COC1CCCCO1)Cc1ccccc1	PC-id_139647577	387.469	PDLHLANARGFYRR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153955
CCOC(=O)C1C2C1CC(C2)OC1CCN(CC1)C(=O)OCc1ccccc1	PC-id_90073550	387.469	LSIOYAHUEQAGHR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153956
CCOC(=O)C1[C@@H]2[C@H]1CC(C2)OC1CCN(CC1)C(=O)OCc1ccccc1	SCHEMBL15610547	387.469	LSIOYAHUEQAGHR-REPIYIIUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153957
CCOC(=O)[C@@H]1C2[C@@H]1C[C@@H](C2)OC1CCN(CC1)C(=O)OCc1ccccc1	SCHEMBL14235514	387.469	LSIOYAHUEQAGHR-DQTVCYTJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153958
CCOC(=O)[C@@H]1C2[C@@H]1C[C@H](C2)OC1CCN(CC1)C(=O)OCc1ccccc1	SCHEMBL14235516	387.469	LSIOYAHUEQAGHR-FBUBALKHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153959
CCOC(=O)[C@@H]1[C@@H]2C1C[C@H](C2)OC1CCN(CC1)C(=O)OCc1ccccc1	SCHEMBL14235717	387.469	LSIOYAHUEQAGHR-QFJIIPRISA-N	00100010000010110000010000000000000000000000000000000000	22-01-153960
CCOC(=O)[C@@H]1[C@@H]2C1C[C@@H](C2)OC1CCN(CC1)C(=O)OCc1ccccc1	SCHEMBL14235719	387.469	LSIOYAHUEQAGHR-JIRNRHONSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153961
CCOC(=O)[C@@H]1[C@@H]2[C@H]1C[C@H](C2)OC1CCN(CC1)C(=O)OCc1ccccc1	SCHEMBL15610545	387.469	LSIOYAHUEQAGHR-XLLXOSNRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153962
CCOC(=O)[C@@H]1[C@@H]2[C@H]1C[C@@H](C2)OC1CCN(CC1)C(=O)OCc1ccccc1	SCHEMBL15610546	387.469	LSIOYAHUEQAGHR-SOIMTFEMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153963
CCOC(=O)[C@@H]1[C@H]2[C@@H]1C[C@@H](C2)OC1CCN(CC1)C(=O)OCc1ccccc1	SCHEMBL15610639	387.469	LSIOYAHUEQAGHR-QFTWOCFFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153964
CCOC(=O)[C@@H]1[C@H]2[C@@H]1C[C@H](C2)OC1CCN(CC1)C(=O)OCc1ccccc1	SCHEMBL15610700	387.469	LSIOYAHUEQAGHR-FGYAAKKASA-N	00100010000010110000010000000000000000000000000000000000	22-01-153965
COC(=O)[C@H]1N(CC2[C@@H]1C2(C)C)C(=O)[C@H](CCC(=O)OCc1ccccc1)C	PC-id_58310995,SCHEMBL12564566	387.469	SZBVAYDSUWMFRI-JYNSZKMYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153966
O1C2C1(C(=O)NC2(O)CCO)C(=O)C(=CC=CC(=CC(=CC(=CC)C)C)C)C	PC-id_73202101	387.469	RCJADKVBRBVIEX-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-153967
O1[C@@H]2[C@]1(C(=O)N[C@]2(O)CCO)C(=O)/C(=C/C=C/C(=C/C(=C/C(=CC)C)/C)/C)/C	PC-id_15942871	387.469	RCJADKVBRBVIEX-FMKQSRIKSA-N	00100010000000000000010000000000000000000000000000000000	22-01-153968
O(C1CC2[C@@H](C2C(=O)OCC)C1)C1CCN(CC1)C(=O)OCc1ccccc1	PC-id_71110419	387.469	LSIOYAHUEQAGHR-MRXCCOFVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153969
O=C1C(=O)OCCCCCCCCCCCC2C1N2C(=O)Oc1ccccc1	PC-id_141013620	387.469	YMPWVFPBDXKQGX-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-153970
O(C(=O)C1N(CC2C1C2(C)C)C(=O)C(CCC(=O)OCc1ccccc1)C)C	PC-id_76755852	387.469	SZBVAYDSUWMFRI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-153971
COc1cc(ccc1OC)C(=O)N1CCC(CC1)NC(=O)NC12CCCC1C2	MCULE-4148427996,EMOLS-id_313131596	387.473	NFOUCSGVXWCNOA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153972
COc1ccc(C(=O)N2CCC(NC(=O)N[C@]34CCC[C@H]3C4)CC2)cc1OC	ZINC22_664165997	387.473	NFOUCSGVXWCNOA-BTYIYWSLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153973
COc1ccc(C(=O)N2CCC(NC(=O)N[C@@]34CCC[C@@H]3C4)CC2)cc1OC	ZINC22_664165999	387.473	NFOUCSGVXWCNOA-QVKFZJNVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153974
COc1ccc(C(=O)N2CCC(NC(=O)N[C@]34CCC[C@@H]3C4)CC2)cc1OC	ZINC22_664166001	387.473	NFOUCSGVXWCNOA-VFNWGFHPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153975
COc1ccc(C(=O)N2CCC(NC(=O)N[C@@]34CCC[C@H]3C4)CC2)cc1OC	ZINC22_664166003	387.473	NFOUCSGVXWCNOA-YCRPNKLZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153976
COc1ccc(C(=O)N2CCC(NC(=O)N[C@@]34CCC[C@H]3C4)CC2)c(OC)c1	ZINC22_888101719	387.473	NBHXQDXNLGMFLY-LHSJRXKWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153977
COc1ccc(C(=O)N2CCC(NC(=O)N[C@]34CCC[C@H]3C4)CC2)c(OC)c1	ZINC22_888101720	387.473	NBHXQDXNLGMFLY-QKKBWIMNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153978
COc1ccc(C(=O)N2CCC(NC(=O)N[C@@]34CCC[C@@H]3C4)CC2)c(OC)c1	ZINC22_888101722	387.473	NBHXQDXNLGMFLY-SPLOXXLWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153979
COc1ccc(C(=O)N2CCC(NC(=O)N[C@]34CCC[C@@H]3C4)CC2)c(OC)c1	ZINC22_888101726	387.473	NBHXQDXNLGMFLY-SZNDQCEHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153980
COc1cc(OC)ccc1C(=O)N1CCC(CC1)NC(=O)NC12CCCC1C2	MCULE-6452608687,EMOLS-id_316885988	387.473	NBHXQDXNLGMFLY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153981
O=C1C[C@H](C(=O)N[C@H]2[C@@H]3CN(CCOCCOc4ccccc4)C[C@H]23)CCN1	ZINC22_1615057558	387.473	GEPHGCCNFIWULB-LBKNJMOBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153982
O=C1C[C@@H](C(=O)N[C@H]2[C@@H]3CN(CCOCCOc4ccccc4)C[C@H]23)CCN1	ZINC22_1615057560	387.473	GEPHGCCNFIWULB-WOGUSJMUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153983
O=C1NCCC(C1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)CCOCCOc1ccccc1	EMOLS-id_317057866,MCULE-7159081973	387.473	GEPHGCCNFIWULB-YFLACXLUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-153984
C12(CCCCC1C2C(=O)NN=Cc1ccc(cc1)OCc1ccccc1C#N)C	MCULE-1449115126,PC-id_3837430	387.474	OBLCOJWRFYHRFV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153985
CC12CCCCC1C2C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1	EMOLS-id_46446776,PC-id_9638325	387.474	OBLCOJWRFYHRFV-CVKSISIWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153986
N#Cc1ccccc1COc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6562566	387.474	OBLCOJWRFYHRFV-VOOBJIIBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153987
N#Cc1ccccc1COc1ccc(cc1)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562567	387.474	OBLCOJWRFYHRFV-MTSLSEAWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153988
N#Cc1ccccc1COc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562568	387.474	OBLCOJWRFYHRFV-XVRLQHHZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153989
N#Cc1ccccc1COc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562569	387.474	OBLCOJWRFYHRFV-MLLPKDJPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153990
N#Cc1ccccc1COc1ccc(cc1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562570	387.474	OBLCOJWRFYHRFV-YDSBSZAKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153991
N#Cc1ccccc1COc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6562571	387.474	OBLCOJWRFYHRFV-GBPZGJJOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153992
N#Cc1ccccc1COc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6562572	387.474	OBLCOJWRFYHRFV-LOPQMFMYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153993
N#Cc1ccccc1COc1ccc(cc1)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6562573	387.474	OBLCOJWRFYHRFV-QBRCABLTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153994
N#Cc1ccccc1COc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98161447	387.474	OBLCOJWRFYHRFV-OEUZOXSDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153995
O=C(NN=Cc1ccc(OCc2c(cccc2)C#N)cc1)[C@@H]1[C@@]2([C@H]1CCCC2)C	PC-id_5502129	387.474	OBLCOJWRFYHRFV-ZDXQCDESSA-N	00100000000010110000010000000000000000000000000000000000	22-01-153996
CCOC(=O)[C@]1(N)[C@H](SCc2cccs2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)OCC	SCHEMBL5092717,PC-id_11211398	387.489	CFGXFZGFHBWDAF-XRQSXFTLSA-N	00100010100110000000010000000000000000000000000000000000	22-01-153997
S(C1C(N)(C2C(C2(F)C(=O)OCC)C1)C(=O)OCC)Cc1sccc1	PC-id_72752591	387.489	CFGXFZGFHBWDAF-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-153998
SCC(C(C12C(=O)C(C)CCC1C2(C)C)OC)C(=O)N[C@H](C(=O)O)CO	PC-id_140325597	387.491	BIAWNRNXXZZVKF-UHIXYGKRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-153999
COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)C)[C@@H]1CCC[C@@H]2[C@H]1O2	PC-id_102353516	387.492	TXVGYOCCBOANTL-NJYVYQBISA-N	00100000000010110000010000000000000000000000000000000000	22-01-154000
COc1cc(CCc2nnc(s2)NC(=O)C2C3C2CCCC3)ccc1OC	PC-id_46970391,SYN-20029163	387.496	HEDRVXVCBBQWQG-UHFFFAOYSA-N	00100000100010110001010000000000000000000000000000000000	22-01-154001
COc1cc(CCc2nnc(s2)NC(=O)[C@@H]2[C@H]3[C@@H]2CCCC3)ccc1OC	CoCoCo_494770	387.496	HEDRVXVCBBQWQG-ZSBFGKGUSA-N	00100000100010110001010000000000000000000000000000000000	22-01-154002
COc1ccc(CCc2nnc(NC(=O)C3[C@H]4CCCC[C@H]34)s2)cc1OC	ZINC22_100771066,PC-id_98138064	387.496	HEDRVXVCBBQWQG-KBPBESRZSA-N	00100000100010110001010000000000000000000000000000000000	22-01-154003
COc1ccc(CCc2nnc(NC(=O)C3[C@@H]4CCCC[C@@H]34)s2)cc1OC	ZINC22_100771067,PC-id_98138065	387.496	HEDRVXVCBBQWQG-ZIAGYGMSSA-N	00100000100010110001010000000000000000000000000000000000	22-01-154004
COc1ccc(CCc2nnc(NC(=O)C3[C@H]4CCCC[C@@H]34)s2)cc1OC	ZINC22_19560668,PC-id_51596712	387.496	HEDRVXVCBBQWQG-UUVAVEHKSA-N	00100000100010110001010000000000000000000000000000000000	22-01-154005
COc1ccc(CCc2nnc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)s2)cc1OC	CoCoCo_494769,ZINC22_247904599	387.496	HEDRVXVCBBQWQG-UOIKSKOESA-N	00100000100010110001010000000000000000000000000000000000	22-01-154006
COCCOc1cccc(c1)c1sc(nc1C(=O)N1C[C@@H]2[C@H]([C@H]1CN)C2)C	PC-id_68446049,SCHEMBL2932390	387.496	RTUYPBFSWHDGFT-DJIMGWMZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-154007
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CN)c1cc(OCCOC)ccc1	PC-id_77501401	387.496	RTUYPBFSWHDGFT-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-154008
C/C=C(/C(C)(C)C)C=C(C=CCC/C=C(/C(=O)[C@@]12O[C@H]2C(NC1=O)(C)O)C)/C	SCHEMBL12056941	387.512	MBWILPYLANPEQB-MWVFULEXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154009
CC=C(C=C(C)C=CCCC=C(C)C(=O)C12C(O1)C(NC2=O)(C)O)C(C)(C)C	PC-id_88872177	387.512	MBWILPYLANPEQB-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154010
CC(C[C@H](N(C12C(=O)C(C)CCC1C2(C)C)OCc1ccccc1)C(=O)O)C	PC-id_145811933	387.512	CANIWPGZWROGPI-FVYQZPOKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154011
O1C2C1CN(C(C2)CC=CCCCOCc1ccccc1)C(=O)OC(C)(C)C	PC-id_76528020	387.512	YUCVRTCFSWAXDF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154012
O1[C@@H]2[C@H]1CN([C@@H](C2)CC=CCCCOCc1ccccc1)C(=O)OC(C)(C)C	PC-id_57413223	387.512	YUCVRTCFSWAXDF-QHAWAJNXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154013
CC/C(=C(c1ccccc1)/c1ccc(cc1)OCCN(C)C)/C1=CC2C(C=C1)O2	PC-id_100926312	387.514	LAGSUMQPBWVPNQ-RWEWTDSWSA-N	00100000000011110000010000000000000000000000000000000000	22-01-154014
CC/C(=C(c1ccc(cc1)OCCN(C)C)/C1=CC2C(C=C1)O2)/c1ccccc1	PC-id_101688097	387.514	JAVNVYYFWMYHIW-RWEWTDSWSA-N	00100000000011110000010000000000000000000000000000000000	22-01-154015
Fc1cc(NCC2C3C2CN(C3)Cc2cccs2)ccc1N1CCOCC1	PC-id_69039009,SCHEMBL4425789	387.514	NAHNJQAVKDRPEJ-UHFFFAOYSA-N	00100010100110110001110000000000000000000000000000000000	22-01-154016
Fc1cc(NCC2C3C2CN(C3)Cc2cscc2)ccc1N1CCOCC1	SCHEMBL4423643,PC-id_69038197	387.514	CPJRHNHLAFVDJX-UHFFFAOYSA-N	00100010100110110001110000000000000000000000000000000000	22-01-154017
Cc1ccc(CNC(=O)C(=O)NC[C@@H]2[C@H]3CNC[C@@H]23)c(O[C@@H](C)CC(C)C)c1	ZINC22_2325792508	387.516	KTYPCGUJVXNFSE-GDAAHCPNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154018
Cc1ccc(CNC(=O)C(=O)NC[C@@H]2[C@H]3CNC[C@@H]23)c(O[C@H](C)CC(C)C)c1	ZINC22_2325792509	387.516	KTYPCGUJVXNFSE-YSHGAJCASA-N	00100010000000110000010000000000000000000000000000000000	22-01-154019
Cc1noc(C2CC2)c1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	ZINC22_2325794760	387.516	PZHDPOXUVOXATB-BCDXTJNWSA-N	00100000100000000101110000000000000000000000000000000000	22-01-154020
Cc1noc(C2CC2)c1C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[C@H]2C[C@H]2CC1	ZINC22_2325794761	387.516	PZHDPOXUVOXATB-NNZMDNLPSA-N	00100000100000000101110000000000000000000000000000000000	22-01-154021
COc1ccccc1OCCCN1CCN(CC1)C(=O)C1[C@H]2[C@]1(N)CCCC2	SCHEMBL18432964	387.516	BSFSZXLROFWUBR-PQBSNVOHSA-N	00100000000010110001010000000000000000000000000000000000	22-01-154022
NC(=O)N(c1ccc(cc1)OCC1OCN(C1)C(C)(C)C)CC1C2C1CCC2	PC-id_141540384	387.516	ZHVRJJRVHWZAGO-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-154023
O=C(C1C2C1CN(C2)C(=O)OC(C)(C)C)NC(CCc1ncccc1C)(C)C	SCHEMBL19724396	387.516	FVIRWPSRNGQVHK-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-154024
O=C(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(CCc1ncccc1C)(C)C	PC-id_117711521	387.516	FVIRWPSRNGQVHK-BYICEURKSA-N	00100010000000101000010000000000000000000000000000000000	22-01-154025
O=C([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(CCc1ncccc1C)(C)C	SCHEMBL16255955	387.516	FVIRWPSRNGQVHK-VQFNDLOPSA-N	00100010000000101000010000000000000000000000000000000000	22-01-154026
O=C(N1C2C(C2)CC1C#N)C(NC(=O)OC(C)(C)C)C1(CCCCCC1)C=C	PC-id_72781926	387.516	AKZCORNTOSURII-UHFFFAOYSA-N	00100010000000000100010000000000000000000000000000000000	22-01-154027
O=C(N1[C@@H]2[C@@H](C2)C[C@H]1C#N)[C@@H](NC(=O)OC(C)(C)C)C1(CCCCCC1)C=C	PC-id_11280668	387.516	AKZCORNTOSURII-VSZNYVQBSA-N	00100010000000000100010000000000000000000000000000000000	22-01-154028
Fc1cc(NCC2C3C2CN(C3)CC2CCCCC2)ccc1N1CCOCC1	SCHEMBL4425822,PC-id_69039024	387.534	BQEDVGPOJMIIRG-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-154029
s1c(c(N(C(=O)C2[C@H]3[C@@H]2CCCC3)C(C)C)cc1C#CC(C)(C)C)C(=O)O	PC-id_76321741	387.536	FAQCAJLZWJZMPB-BYICEURKSA-N	00100000100110000000010000000000000000000000000000000000	22-01-154030
Cc1ccc(C(=O)N2CCN(C3CN(C(=O)[C@@]45CCCC[C@H]4C5)C3)CC2)s1	ZINC22_1875328149	387.539	BAAKAGVRUFIAHQ-HRAATJIYSA-N	00101000100110000001110000000000000000000000000000000000	22-01-154031
Cc1ccc(C(=O)N2CCN(C3CN(C(=O)[C@]45CCCC[C@@H]4C5)C3)CC2)s1	ZINC22_1875328150	387.539	BAAKAGVRUFIAHQ-IERDGZPVSA-N	00101000100110000001110000000000000000000000000000000000	22-01-154032
Cc1ccc(C(=O)N2CCN(C3CN(C(=O)[C@@]45CCCC[C@@H]4C5)C3)CC2)s1	ZINC22_1875328151	387.539	BAAKAGVRUFIAHQ-IIBYNOLFSA-N	00101000100110000001110000000000000000000000000000000000	22-01-154033
Cc1ccc(C(=O)N2CCN(C3CN(C(=O)[C@]45CCCC[C@H]4C5)C3)CC2)s1	ZINC22_1875328152	387.539	BAAKAGVRUFIAHQ-KKSFZXQISA-N	00101000100110000001110000000000000000000000000000000000	22-01-154034
CSNNC(=O)OCC1C2C1CCC(=C(CC2)N)N(C(CCO)(C)C)N	PC-id_144985038	387.541	YZDZIYTXZRSNMX-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-154035
COC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C([2H])([2H])[2H])(C)C)NC(=O)NC(C([2H])([2H])[2H])(C)C	SCHEMBL12691646	387.547	BOAWSIPWPIUQLQ-MNZDQOPCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154036
OC(=O)[C@H]1[C@@H]2[C@H]1CCN(C2)CCC=C(c1ccc(s1)C)c1ccc(s1)C	BindingDB_PC-id_53325158,PC-id_53325158	387.559	BDQIVTXBTQPEAM-OXFYSEKESA-N	00100000100110000000010000000000000000000000000000000000	22-01-154037
OC(=O)[C@H]1[C@H]2[C@@H]1CCN(C2)CCC=C(c1ccc(s1)C)c1ccc(s1)C	PC-id_53325159,BindingDB_PC-id_53325159	387.559	BDQIVTXBTQPEAM-XAUMDUMWSA-N	00100000100110000000010000000000000000000000000000000000	22-01-154038
s1c(C(=CCCN2CC3C(C3C(=O)O)CC2)c2sc(cc2)C)ccc1C	PC-id_76011174	387.559	BDQIVTXBTQPEAM-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-154039
CCCCC1CN(CC(=C1N=C)C(=C)c1ccc(cc1)C)C(=C)C1=C2CN2CC1	SCHEMBL19074139	387.56	HYVLIQZAPISPEP-UHFFFAOYSA-N	00100011000011110000010000000000000000000000000000000000	22-01-154040
S(=O)(=O)(N1C(C2(C(C2)(C1)C)C(=C)CC=C)C(C)C)c1c(cc(cc1C)C)C	PC-id_72975712	387.579	ZXKJATMDCXCPMY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154041
S(=O)(=O)(N1C(C2(C(C2)C1)C(=C)CC=C)C(C)(C)C)c1c(cc(cc1C)C)C	PC-id_73796709	387.579	UDWOCSPPSKVHLY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154042
S(=O)(=O)(N1C(C2(C(C2)C1)C(=C)CC=C)CC(C)C)c1c(cc(cc1C)C)C	PC-id_74028514	387.579	KTJWFTOPLAVBJJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154043
S(=O)(=O)(N1C(C2(C(C2)C1)C(=C)CC=C)C(CC)C)c1c(cc(cc1C)C)C	PC-id_74028515	387.579	MYECNTBIZPIVLE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154044
S(=O)(=O)(N1[C@H]([C@@]2([C@@](C2)(C1)C)C(=C)CC=C)C(C)C)c1c(cc(cc1C)C)C	PC-id_11474698	387.579	ZXKJATMDCXCPMY-VABKMULXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154045
S(=O)(=O)(N1[C@H]([C@@]2([C@@H](C2)C1)C(=C)CC=C)C(C)(C)C)c1c(cc(cc1C)C)C	PC-id_21573367	387.579	UDWOCSPPSKVHLY-IEIRFRATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154046
S(=O)(=O)(N1[C@H]([C@@]2([C@@H](C2)C1)C(=C)CC=C)CC(C)C)c1c(cc(cc1C)C)C	PC-id_23247827	387.579	KTJWFTOPLAVBJJ-QNWVGRARSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154047
S(=O)(=O)(N1[C@H]([C@@]2([C@@H](C2)C1)C(=C)CC=C)[C@H](CC)C)c1c(cc(cc1C)C)C	PC-id_23247828	387.579	MYECNTBIZPIVLE-CISPJPAASA-N	00100010000000110000010000000000000000000000000000000000	22-01-154048
CCC1C(CC2C1C2(C)C)C(C(C1CCCC1)NC(=C)CC1CCCC1)(O)C	PC-id_142268418	387.642	QHWDGUMCRCMTSV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-154049
SC[C@H]1N[C@@H](C(=O)NC(C)(C)C)[C@H]2N(C1)[C@@H]2CO[Si](C(C)(C)C)(C)C	PC-id_101498069	387.656	SXDKTSXJFPBBIP-AFPUSYHFSA-N	00100000000010000001010000000000000000000000000000000000	22-01-154050
CCCCC1(C)C2(C1(C2)C(CCCCCCCC)CCCCCCCC)C#N	PC-id_21524179,SCHEMBL11789551	387.685	INDFUJABSVBRQQ-UHFFFAOYSA-N	00101000000000000000010000000000000000000000000000000000	22-01-154051
[C@@]12([2H])CC[C@@H]([C@@H](CC[C@@H]1O2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	PC-id_134864647	387.723	YRRHHDQREIQMSV-UHLQKUOVSA-N	00100000000000000100010000000000000000000000000000000000	22-01-154052
CC[Si](O[O+]1[C@@H]2[C@@]1(C)[C@H](O[Si](CC)(CC)CC)[C@@H](CC2)C)(CC)CC	PC-id_101806835	387.725	BIXDHDUCZWKFRI-WCIQWLHISA-N	00100000000010000000010000000000000000000000000000000000	22-01-154053
C1C(C(CC2(C1(C2(Cl)Cl)Cl)Cl)Br)Br	PC-id_154133740	387.759	JNGBJNCLSMQNAN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154054
[Si](O[Si](CC[Si](O[Si])(C)C)(C)C)(CCC1CC2OC2CC1)(C)C	PC-id_21036175	387.789	ZMDPVLMEEGULHV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154055
Cc1c(cncc1)C#Cc1c(nc(nc1Cl)N)NC1CC2C(C2(C1O)O)O	PC-id_91226286	387.82	YDTHFASKIFMUJD-UHFFFAOYSA-N	00100010000010101001010000000000000000000000000000000000	22-01-154056
Fc1cc(OCC2CC3CC3C2)c(Cl)cc1C(=O)NS(=O)(=O)C1CC1	BindingDB-id_281998,PC-id_91809388,BindingDB_PC-id_91809388,SCHEMBL16448523	387.853	WGLCINFFVGFEJW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154057
Clc1ccc(NC(=O)N2CC3C(C3NCC(=O)N3C(CCC3)C#N)C2)cc1	SCHEMBL4893871,PC-id_69231949	387.863	ITCQRMNUCHQKDN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154058
Clc1ccc(NC(=O)N2CC3C(C3NCC(=O)N3[C@@H](CCC3)C#N)C2)cc1	PC-id_69231951,SCHEMBL4893874	387.863	ITCQRMNUCHQKDN-JFPDKAJLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154059
CN(CC12C[C@H](NC1C2)C(=O)Nc1cccc(c1F)c1ccccc1Cl)C	PC-id_142420709	387.878	VJRLMTFVPBZXFF-XPQZIERPSA-N	00100010000000110000110000000000000000000000000000000000	22-01-154060
ClCCC1C2(C(NC1=O)(C2(OCO)[C@@H](O)C1CCCC(=C1C)C)C)CO	PC-id_68038104,SCHEMBL10110711	387.898	AIQVFDKCGGSLDH-FNOIXZTMSA-N	00100010000011000000010000000000000000000000000000000000	22-01-154061
ClCCC1C2(C(NC1=O)(C2(OCO)C(O)C1CCCC(=C1C)C)C)CO	PC-id_77398210	387.898	AIQVFDKCGGSLDH-UHFFFAOYSA-N	00100010000011000000010000000000000000000000000000000000	22-01-154062
Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)N1C[C@H]2[C@H](CN(C)C)[C@H]2C1	EMOLS-id_48623058,ZINC22_101775446,MCULE-5971213207	387.906	NTECLGSLQMUQMV-NNZMDNLPSA-N	00100010100000110001010000000000000000000000000000000000	22-01-154063
COc1cc(Br)c(cc1C(C1C2C1CCC2)Br)OC	PC-id_113675271	390.11	PLQRODMHASNVJK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154499
Clc1ccc(Cn2ncc(c2NC(=O)N2C[C@H]3[C@H](C3CN(C)C)C2)C)cc1	PC-id_72839687	387.906	NTECLGSLQMUQMV-AYHJJNSGSA-N	00100010100000110001010000000000000000000000000000000000	22-01-154064
CC1=C2C1CC(C(C2)CI)CI	PC-id_164105695	387.918	XSODOULEOZVOQL-UHFFFAOYSA-N	00110000000010000000010000000000000000000000000000000000	22-01-154065
C1CN2C(O2)(CC1O)/C(=C(CS)/c1ccc(cc1)Cl)/Cc1ccccc1	SCHEMBL20672774,PC-id_137436212	387.923	XLNMMDBBNNVDSA-FMQUCBEESA-N	00100000000010110001010000000000000000000000000000000000	22-01-154066
C1CC2C(O2)CC1CC[Si](CCCCl)(Br)Br	PC-id_153992556	387.926	ZBGARIYCWGZQCB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154067
IC1C2C1CCC=CC(I)CC2	PC-id_85686650	388.027	ZNIJHHQQWPCMNS-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-154068
C1CC(C(CC1Cl)Cl)C2NC(CS2)C(=O)N3C[C@@H]4[C@H](C3)C4NC#N	PC-id_164805993	388.089	ZDCVTVIFOQVQPW-WKAPMPQCSA-N	00100010000010000001110000000000000000000000000000000000	22-01-154069
CC1=C(N=C(C=C1)Br)CC(=O)C2C[C@]3(C[C@H]3N2)CN4C=C(N=C4)C	PC-id_160430213	388.09	GEDUOUKJPWOHQY-FLSRDWRNSA-N	00100010100000101001010000000000000000000000000000000000	22-01-154070
Brc1c(NC(=O)C2C3C2CCCC3)c(Br)cc(N)c1	PC-id_81622855	388.098	UGGYXZZTODWYIY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154071
Brc1c(NC(=O)C2C3C2CCCC3)c(N)cc(Br)c1	PC-id_81623143	388.098	BUSIPDHIUQDHBK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154072
COc1c(c(c(cc1)CN1C=C(N2C1C2)C(=O)OC)F)c1cc(ccc1)Cl	PC-id_163761785	388.099	LYUCSBORUSZUPZ-UHFFFAOYSA-N	00100011000000110001110000000000000000000000000000000000	22-01-154073
C[C@@H](C1=CC=CC=C1Cl)N2C(=CC(=N2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4	PC-id_147242383	388.13	CLAHLYAYFRQYJJ-SGPKTVCVSA-N	00100010100000110001010000000000000000000000000000000000	22-01-154074
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=C(C=CC=N3)F)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517066	388.135	DLGVBZOBBXXBJM-DXFLCJIMSA-N	00100010000010111000010000000000000000000000000000000000	22-01-154075
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=CC(=CN=C3)F)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517131	388.135	OEOXWTPHFIKBRY-IJGLDNNQSA-N	00100010000010111000010000000000000000000000000000000000	22-01-154076
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=CN=C(C=C3)F)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517104	388.135	JCQINZHWMXBFCH-VIYSVWJJSA-N	00100010000010111000010000000000000000000000000000000000	22-01-154077
BrC(C1C2C1CCCC2)c1c(Br)cc(OCC)cc1	PC-id_81637153	388.137	HFBKAXRGKVANIB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154078
BrC(C1C2C1CCCC2)c1c(OC)cc(c(Br)c1)C	PC-id_81636810	388.137	ATNWBFLPXWZERF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154079
BrC(C1C2C1CCCC2)c1c(OCC)ccc(Br)c1	PC-id_81636660	388.137	SWAAINPESXIBDR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154080
CCCOc1ccc(cc1Br)C(C1C2C1CCC2)Br	PC-id_113438459	388.137	ZWIFYWROAIJCEZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154081
CCCOc1ccc(cc1Br)C(C1CC2C(C1)C2)Br	PC-id_104662128	388.137	IFYPROGNAUBPGQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154082
CCOc1ccc(cc1Br)C(C1C2C1CCCC2)Br	PC-id_113438425	388.137	GCNMHLWXGGMVDK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154083
COc1c(C)cc(c(c1C(C1C2C1CCC2)Br)C)Br	PC-id_113370257	388.137	TWKUZOZCZATFHI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154084
COc1c(C)cc(c(c1C(C1CC2C(C1)C2)Br)C)Br	PC-id_113370272	388.137	VJPSVNQKSMFDNM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154085
C1C2[C@]1(CN(C2)C#N)NCC3=NC=C(S3)C4=C(C=NC=C4)NC5=CC=CC=C5	PC-id_153559678	388.147	ACQFXZINPHIGAG-FXMQYSIJSA-N	00100010100000111001110000000000000000000000000000000000	22-01-154086
P(=C)(COC12C(C1)C(C(O)(C2O)C)[B])(C[P+](=C)CC)C[P+](=C)CC	PC-id_76811332	388.166	PIHWPPFSWLEQER-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-154087
P(=C)(COC12C(C1)[C@H]([C@](O)([C@@H]2O)C)[B])(C[P+](=C)CC)C[P+](=C)CC	PC-id_58521077	388.166	PIHWPPFSWLEQER-NMSBFTQNSA-N	00100010000010000000010000000000000000000000000000000000	22-01-154088
CCCOC1=C2C(=C(C=C1)C(C3=CC=CC=C3)C4=C5C(=C(C=C4)OCCC)O5)O2	PC-id_153782563	388.167	MOGWZKKPRJEVRV-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-154089
CO[C@H]1[C@@H]2[C@@H](O2)[C@H](O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5	PC-id_150590436,CoCoCo_5431109	388.167	IPTGADYNRWJWSJ-NAVOZUGXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154090
Brc1cc(COC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)ccc1	PC-id_85428992	388.186	OSCHZQSIVVTLIF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154091
N[C@@]1(C(=O)O)[C@H](OCc2cccc(Br)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	CHEMBL189186,PC-id_11188380,BindingDB_PC-id_11188380	388.186	OSCHZQSIVVTLIF-ZNLHFFCSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154092
C1CC2C(O2)CC1C(=O)OCC1CCC(=COC(=O)C2=CC3C(O3)CC2)CC1	PC-id_163813800	388.189	NPOKQJJALBWIRM-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-154093
CC(C)(C)OC(=O)C1C2C1C(C(CC2)C(=O)OC)C(=O)OCC3=CC=CC=C3	PC-id_160490391	388.189	QQLNNGFKSVVOFT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154094
CCC(C1[C@H]2[C@@H]1CC(C2)NC(=O)C3=CC=CC=N3)NC(=O)C4=CC=C(C=C4)C#N	PC-id_153289047	388.19	KOMOZWMHAQLUGZ-GQJJNZPSSA-N	00100010000010111000010000000000000000000000000000000000	22-01-154095
C1C2C1C(CC2(C(=O)O)N)(C(=O)O)NC(=O)Nc1c(cc(cc1)Cl)Cl	SCHEMBL6799288,PC-id_90751997	388.203	HEMCULBILOFECB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154096
C1C2C1(C(C(C2N)C(=O)O)NC(=O)Nc1cc(cc(c1)Cl)Cl)C(=O)O	SCHEMBL6792328,PC-id_91217260	388.203	FWZZWVMJUHWPON-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154097
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)NC(=O)Nc1c(cccc1Cl)Cl	SCHEMBL6792051,PC-id_91034246	388.203	AHQLRBRUISEQPD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154098
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)NC(=O)Nc1cc(cc(c1)Cl)Cl	SCHEMBL6795258,PC-id_91158152	388.203	IOGSMYJNCPOWAV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154099
Clc1cc(NC(=O)NC2C3C(C3C(=O)O)C(N)(C2)C(=O)O)ccc1Cl	PC-id_69895856,SCHEMBL6789067	388.203	VEEAERSKLXJGDG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154100
Clc1cc(NC(=O)N[C@@H]2[C@@H]3[C@@H]([C@H]3C(=O)O)[C@@](N)(C2)C(=O)O)ccc1Cl	PC-id_60096235	388.203	VEEAERSKLXJGDG-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-154101
Clc1cc(NC(=O)N[C@@H]2[C@@H]3[C@@H]([C@H]3C(=O)O)[C@@](N)(C2)C(=O)O)cc(Cl)c1	SCHEMBL6796653,PC-id_60096200	388.203	IOGSMYJNCPOWAV-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-154102
Clc1c(NC(=O)NC2C3C(C3C(=O)O)C(N)(C2)C(=O)O)ccc(Cl)c1	PC-id_72646635	388.203	IRHGANGLRDLLTB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154103
Clc1c(NC(=O)N[C@@H]2[C@@H]3[C@@H]([C@H]3C(=O)O)[C@@](N)(C2)C(=O)O)ccc(Cl)c1	SCHEMBL6795269,PC-id_60096203	388.203	IRHGANGLRDLLTB-DMZJWBPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-154104
COc1cc(Br)c(cc1C(C1CC2C(C1)C2)Br)OC	PC-id_105057413	390.11	JGQHNZWPGBDJBP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154500
Clc1c(NC(=O)N[C@@H]2[C@@H]3[C@@H]([C@H]3C(=O)O)[C@@](N)(C2)C(=O)O)c(Cl)ccc1	PC-id_60096256	388.203	AHQLRBRUISEQPD-JSLVTQLMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154105
C[C@@H](/C=C/[C@]12[C@](O1)(C[C@H](CC2(C)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C)O	PC-id_154496375	388.21	SMBCGBWABYMHIN-VQNLQLQCSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154106
CC1([C@@H]2[C@H]1N([C@@H](C2)C(=O)OC)C(=O)[C@H](C(C)(C)C)NC(=O)C3=NC=CN=C3)C	PC-id_154405442	388.211	BRSJBEDZQQNLOA-SPWCGHHHSA-N	00100010000000100001010000000000000000000000000000000000	22-01-154107
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2C(CNC(=O)/C=C/C3=CN=C(C=C3)N)O	PC-id_153560258	388.211	JWSKSNQSIAVESW-GZRZMLITSA-N	00100010000000101000010000000000000000000000000000000000	22-01-154108
CC1CC(CCO1)CCS(C)(C)O[Si](C)(C)CCC1CCC2C(C1)O2	PC-id_163544853	388.247	FEEAKBKYWJLHRI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154109
COc1cccnc1OC(=O)NC1=CC(=O)C2C(C1OC(=O)C(F)(F)F)O2	PC-id_118021309,SCHEMBL16649994	388.252	XHCBPYAJPXECOJ-UHFFFAOYSA-N	00100000000011101000010000000000000000000000000000000000	22-01-154110
C1CN(CC2C1C2)C(=O)Nc1cc(ncc1)Oc1ccccc1Br	EMOLS-id_313135943,PC-id_136553282,MCULE-2624343371	388.258	XVXOJCLXCNQSGI-UHFFFAOYSA-N	00100000000010111000010000000000000000000000000000000000	22-01-154111
O=C(c1c[nH]c(=O)c(c1)Br)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319898283,MCULE-2200241952	388.258	OIMCATPQNULPMS-FOLVSLTJSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154112
O=C(Nc1ccnc(Oc2ccccc2Br)c1)N1CC[C@@H]2C[C@@H]2C1	ZINC22_666172268	388.258	XVXOJCLXCNQSGI-CHWSQXEVSA-N	00100000000010111000010000000000000000000000000000000000	22-01-154113
O=C(Nc1ccnc(Oc2ccccc2Br)c1)N1CC[C@@H]2C[C@H]2C1	ZINC22_666172269	388.258	XVXOJCLXCNQSGI-OLZOCXBDSA-N	00100000000010111000010000000000000000000000000000000000	22-01-154114
O=C(Nc1ccnc(Oc2ccccc2Br)c1)N1CC[C@H]2C[C@@H]2C1	ZINC22_666172270	388.258	XVXOJCLXCNQSGI-QWHCGFSZSA-N	00100000000010111000010000000000000000000000000000000000	22-01-154115
O=C(Nc1ccnc(Oc2ccccc2Br)c1)N1CC[C@H]2C[C@H]2C1	ZINC22_666172271	388.258	XVXOJCLXCNQSGI-STQMWFEESA-N	00100000000010111000010000000000000000000000000000000000	22-01-154116
COc1ccc(c(c1)S(=O)(=O)NC(=O)C1CCC2C(C1)C2)Br	EMOLS-id_112095500	388.277	COEPFODJHCBEKQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154117
[2H]C([2H])([2H])C1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC)C([2H])([2H])[2H]	PC-id_154070591	388.284	AVAMRGOONZYOCL-KEQYAXOISA-N	00100010000000000000010000000000000000000000000000000000	22-01-154118
BrCCOCCOCCNC(=O)OCC1C2CCC#CCCC12	EMOLS-id_323985965,PC-id_154803623	388.297	MRWBWPVODYNGRH-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-154119
CCc1cc2c(O2)cc1C(c1cc2c(O2)cc1CC)(C(F)(F)F)C(F)(F)F	PC-id_88614240,SCHEMBL10454942	388.304	UTXPIXGNHSEMMG-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-154120
[Se](C1C(O)C2N(C2C1)C(=O)OCc1ccccc1)c1ccccc1	PC-id_76386056	388.319	VFKQOKJZNGFNMU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154121
[Se]([C@@H]1[C@@H](O)[C@H]2N([C@H]2C1)C(=O)OCc1ccccc1)c1ccccc1	PC-id_56649731	388.319	VFKQOKJZNGFNMU-YLQJXANPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154122
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(c1F)C(F)(F)F	EMOLS-id_317504583	388.357	UPQKYCHJWJQSPV-WQAKAFBOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154123
COc1cc(O)c(c(c1C[C@]1(O)OC[C@H]2[C@@H](C1)O2)O)C(=O)c1ccc(cc1)O	PC-id_141761815	388.368	KYITXBIJSRHKON-GUXCAODWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154124
OCC1OC(Oc2cccc(c2)c2ccc(cc2)OCC(=O)O)C2C(C1O)O2	PC-id_144016567	388.368	NZMPXLSIVBCUOK-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-154125
[C@]12(C(=O)O)CN(C[C@]1(C2)C(=O)O)C(=O)c1ccc(cc1)C(=O)N1CCOCC1	PC-id_135109570,ZINC22_1704331302,EMOLS-id_317370040,MCULE-6558061312	388.371	QTQQIXPOMBXMNA-KDURUIRLSA-N	00100010000010110001010000000000000000000000000000000000	22-01-154126
[B]C1(CCCCCC2CC2C1)Cc1csc(c1)C1C(C(CC(O1)CO)O)C	PC-id_91206353	388.372	XGURAYRMZFEEPF-UHFFFAOYSA-N	00100000100110000100110000000000000000000000000000000000	22-01-154127
FC(F)(F)c1cc(c2c(C(=O)N3C(C4C(C4)C3)C(=O)N)ccc(c2)C)ccc1	PC-id_76542706	388.383	ALFSSSNHFGKWBB-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-154128
FC(F)(F)c1cc(c2c(C(=O)N3C(C4C(C4)C3)C(=O)N)cccc2C)ccc1	PC-id_77500961	388.383	HLKATDSLCDNQMI-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-154129
FC(F)(F)c1cc(c2c(C(=O)N3[C@H]([C@@H]4[C@@H](C4)C3)C(=O)N)ccc(c2)C)ccc1	PC-id_57489298	388.383	ALFSSSNHFGKWBB-DOPJRALCSA-N	00100010000000110000110000000000000000000000000000000000	22-01-154130
FC(F)(F)c1cc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)C(=O)N)ccc(c2)C)ccc1	PC-id_68446544,SCHEMBL2933413	388.383	ALFSSSNHFGKWBB-XWIAVFTESA-N	00100010000000110000110000000000000000000000000000000000	22-01-154131
FC(F)(F)c1cc(c2c(C(=O)N3[C@@H]([C@H]4[C@H](C4)C3)C(=O)N)cccc2C)ccc1	SCHEMBL2925366,PC-id_68443210	388.383	HLKATDSLCDNQMI-QBIMZIAESA-N	00100010000000110000110000000000000000000000000000000000	22-01-154132
O=C1[C@@H]2[C@@H](N2C(N1Cc1ccccc1)(C)C)C(=O)c1cccc(c1)C(F)(F)F	PC-id_101514451	388.383	JOLVGTGHMLUWGL-XUKFFACESA-N	00100010000000110001010000000000000000000000000000000000	22-01-154133
O=C(c1ccccc1C(F)(F)F)[C@H]1[C@@H]2N1C(N(C2=O)Cc1ccccc1)(C)C	PC-id_101514449	388.383	IFCYXNSJXKNONR-XUKFFACESA-N	00100010000000110001010000000000000000000000000000000000	22-01-154134
C(CPP1C2C1CCCCCC2)CPP1C2C1CCCCCC2	PC-id_140365997	388.384	CIAFHDVLAQAKAA-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-154135
Fc1c(cc(CNCC2C3C2CN(C3)C(=O)OC(C)(C)C)cc1)C(F)(F)F	SCHEMBL712554,PC-id_66776212	388.4	JFOPRJBPCQAMKE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154136
C=C/C=C(/C(CN1C(=O)CC(=O)N(C1=O)CC(C1=CC2C(C=C1)C2)F)F)C=C	PC-id_144087261	388.408	KJMAHNPATVXHKW-WLRTZDKTSA-N	00100000000011000001010000000000000000000000000000000000	22-01-154137
COc1ccc(c2cc(NC(=O)N3CC[C@@H]4C[C@H]4C3)ccc2OC(F)F)cc1	ZINC22_585099371	388.408	BVRDMJXORMJJPD-CABCVRRESA-N	00100000000010110000110000000000000000000000000000000000	22-01-154138
COc1ccc(c2cc(NC(=O)N3CC[C@H]4C[C@H]4C3)ccc2OC(F)F)cc1	ZINC22_585099378	388.408	BVRDMJXORMJJPD-GJZGRUSLSA-N	00100000000010110000110000000000000000000000000000000000	22-01-154139
COc1ccc(c2cc(NC(=O)N3CC[C@@H]4C[C@@H]4C3)ccc2OC(F)F)cc1	ZINC22_585099379	388.408	BVRDMJXORMJJPD-HUUCEWRRSA-N	00100000000010110000110000000000000000000000000000000000	22-01-154140
COc1ccc(c2cc(NC(=O)N3CC[C@H]4C[C@@H]4C3)ccc2OC(F)F)cc1	ZINC22_585099380	388.408	BVRDMJXORMJJPD-LSDHHAIUSA-N	00100000000010110000110000000000000000000000000000000000	22-01-154141
COc1ccc(cc1)c1cc(ccc1OC(F)F)NC(=O)N1CCC2C(C1)C2	MCULE-5510068948,EMOLS-id_177345379	388.408	BVRDMJXORMJJPD-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-154142
O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)N1CC[C@@]2(O)C[C@H]2C1	ZINC22_665397642,MCULE-4884080923,EMOLS-id_316910567	388.408	JPPBFAIVPNGMPI-HRAATJIYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154143
F[C@@H]1CN(C(=O)CNC2C3C2CN(C3)C(=O)c2c(cc(F)cc2)C)[C@@H](C1)C#N	SCHEMBL4896843,PC-id_16225933	388.411	BJGISBUPCQKFFD-USJUDTJWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154144
C/C=C/1CC(C)(C)CC2[C@@]([C@H]1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])(C)C2	PC-id_117069776	388.414	XXFAOJHAKYKGCP-DNZDAYICSA-N	00100000000000110100010000000000000000000000000000000000	22-01-154145
C/C=C/1CC(C)(C)C[C@H]2C[C@@]2(C)[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	PC-id_95565264,ZINC22_71786231	388.414	XXFAOJHAKYKGCP-DHGDTKEHSA-N	00100000000000110100010000000000000000000000000000000000	22-01-154146
C/C=C/1CC(C)(C)C[C@@H]2C[C@@]2(C)[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC22_71786230,PC-id_95565263	388.414	XXFAOJHAKYKGCP-MLUIYUMNSA-N	00100000000000110100010000000000000000000000000000000000	22-01-154147
CC(=O)Nc1cc(nc(c1)C(=O)N)c1cccc(c1)C#C[C@]12CC1CN(C2=O)C	SCHEMBL19174002	388.419	YFJCHKUEOYUGIA-XLDIYJRPSA-N	00100010000000111000110000000000000000000000000000000000	22-01-154148
NC(=O)OCc1ccc(cc1)C(=O)Nc1cccc(c1N)CC1c2c1nccc2	PC-id_141315919	388.419	HMZBGAFGMVXSEG-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-154149
[C@H]12CN(C[C@H]1[C@@H]2CN(C)C)C(=O)c1ccc(cc1)c1ccccc1C(F)(F)F	ZINC22_426615141,EMOLS-id_177473334,MCULE-6482903318	388.426	LOQLWZIYNNLFMY-LDLYASANSA-N	00100010000000110000110000000000000000000000000000000000	22-01-154150
CN(CC1[C@@H]2[C@H]1CN(C2)C(=O)c1ccc(cc1)c1ccccc1C(F)(F)F)C	PC-id_121508885	388.426	LOQLWZIYNNLFMY-YQQQUEKLSA-N	00100010000000110000110000000000000000000000000000000000	22-01-154151
CCCCN(CC1C2C1CN(C2)CCC(F)(F)F)C(=O)Oc1cn(cn1)C	PC-id_90353525,SCHEMBL15967203	388.428	JKMFUZNVFWYTSG-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-154152
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S(=O)(=O)(C(O)C1OC(OC)C(O)C2(O)C1(O)C2(C)C)c1ccc(cc1)C	PC-id_22355353	388.433	NIQIXRQRCIRDCA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154154
NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[C@H]23)CC1	ZINC22_1329540878	388.436	QTGYWQFYWOUHGP-IVMMDQJWSA-N	00100000000010110001110000000000000000000000000000000000	22-01-154155
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CC1CCN(CC1)S(=O)(=O)Cc1ccccc1CNC(=O)C1C2C1CCC2	EMOLS-id_98084389	390.539	LYVRBPXRPFAZOE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154676
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s1c(NCC2C3C2CN(C3)Cc2cc(cc(c2)C)C)nc(c1)c1ncccc1	PC-id_75308746	390.544	ALFLSQUKTSQRFV-UHFFFAOYSA-N	00100010100000111001110000000000000000000000000000000000	22-01-154686
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[Si](Oc1ccc(CCOC(=O)C[C@@H]2C[C@H]3O[C@H]3C2=O)cc1)(C(C)(C)C)(C)C	PC-id_71770719	390.545	XDAUDGWWFFTYQX-XAUMDUMWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154689
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CCCCCC1=CC2(C(C=C1)(S2)O)Sc1cc(CCCCC)ccc1O	SCHEMBL11129677,PC-id_88728631	390.602	OIQKDRMTJNCZHU-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-154713
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CC([Si](c1ccccc1)(c1ccccc1)O[C@@H]1C[C@H]2[C@H](CC1=C)C2(C)C)(C)C	PC-id_99772991	390.633	GREDLYAZTYXYPM-KMDXXIMOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154721
CC([Si](c1ccccc1)(c1ccccc1)O[C@@H]1C[C@@H]2[C@H](CC1=C)C2(C)C)(C)C	PC-id_99772992	390.633	GREDLYAZTYXYPM-RBZQAINGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154722
CC([Si](c1ccccc1)(c1ccccc1)O[C@@H]1C[C@H]2[C@@H](CC1=C)C2(C)C)(C)C	PC-id_99772993	390.633	GREDLYAZTYXYPM-TZRRMPRUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154723
CC([Si](c1ccccc1)(c1ccccc1)O[C@@H]1C[C@@H]2[C@@H](CC1=C)C2(C)C)(C)C	PC-id_99772994	390.633	GREDLYAZTYXYPM-WXFUMESZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154724
[Si](OCC1C2(C1CCC=C2C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85375370	390.633	ZNFXSVLEXRREIJ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-154725
[Si](OC[C@@H]1[C@@]2([C@H]1CCC=C2C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11036575	390.633	ZNFXSVLEXRREIJ-GNKBHMEESA-N	00100000000011110000010000000000000000000000000000000000	22-01-154726
CCCCCCCCCCCCC(C1CCC2C(C1)O2)(C1CCC2C(C1)O2)C	PC-id_140200875	390.642	YPNDKOIUBSUDGN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154727
CCO[Si](OCC)(OCC)CCCSCC(C1CCC2(C(C1)O2)C)C	PC-id_140316392	390.653	HCSAHQPMXDCHBN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154728
CCO[Si](C[Si](OCC)(OCC)C)(CCC1CCC2C(C1)O2)OCC	PC-id_140798699	390.662	ZJPCZCACVWMOSV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154729
CCO[Si](C[Si](OCC)(OCC)OCC)(CCC1CCC2C(C1)O2)C	PC-id_140798704	390.662	JPQDJHWTCGWJDI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154730
Cc1c(c(ccc1)[Si]CC1C(CC2C1(O2)CO)O[Si](C)(C)C(C)(C)C)C	PC-id_87593730	390.664	WFHNDQCDSIHDMF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154731
CC(C1C2CC2CN1C(C)(C)C)CCCCC(N1CCCC1(C)C(C)C)(C)C	SCHEMBL18596036	390.689	BGSINUXPPFGREB-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154732
C[C@H](c1ccccc1)NC(=O)[C@@]12C(=O)O[C@H]([C@@H]1C2(C)C)C(Cl)(Cl)Cl	PC-id_101131881	390.689	VBKMJPTWPUTODR-UBEDBUPSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154733
C[C@H](c1ccccc1)NC(=O)[C@]12C(=O)O[C@@H]([C@H]1C2(C)C)C(Cl)(Cl)Cl	PC-id_101131882	390.689	VBKMJPTWPUTODR-LWPSYJQYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154734
[Si]1(O[Si]2(O[Si](C)(C)C)CC3OC3C2)(O[Si](C)(C)C)CC2OC2C1	PC-id_12618830	390.727	PNQMIKPHINODRZ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154735
[Si](O[Si](CC[Si](OC)(OC)C)(C)C)(CCC1CC2OC2CC1)(C)C	PC-id_23529569	390.738	KTKYNDUHOSZDHL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154736
[Si](O[Si](C)(C)C)(O[Si](O[Si]C)(C)C)(CCC1CC2OC2CC1)C	PC-id_59114021	390.77	MGHMFHDLIBDAHI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154737
C1[C@H](C2CC2[C@H]1NC(=O)COc1ccc(cc1)Cl)NC(=O)CC(F)(F)F	SCHEMBL20631963,PC-id_137400258	390.785	WETHISBDVODJAS-PQAZSJQKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154738
BrC1=C(O)C2(C(C(=C1)Br)(O2)C(=O)O)Br	PC-id_141411308	390.808	VESPKQFIXJLNIV-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-154739
[SiH3]O[Si](CC[Si](O[Si](CCC1CCC2C(C1)O2)(C)C)(C)C)(C)C	SCHEMBL12861287	390.813	GWEIEBSOFLLXGL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154740
CC(C)(C)OC(=O)c1cc(c(cc1F)OCC12CCCCC1C2(F)F)Cl	PC-id_86703734,SCHEMBL15536405	390.824	GJTWIFNIDAUYHD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154741
CC(C)(C)OC(=O)c1cc(c(cc1F)OCC1CCC2C(C1)C2(F)F)Cl	PC-id_86703741,SCHEMBL16448737	390.824	AOMMROVBMCAVEV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154742
Clc1cc(C(=O)OC(C)(C)C)c(cc1OCC12CCCC[C@@H]1C2(F)F)F	PC-id_117860428,SCHEMBL16449087	390.824	GJTWIFNIDAUYHD-BUSXIPJBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154743
Clc1c(OCC2CCC3C(C2)C3(F)F)ccc(c1F)C(=O)OC(C)(C)C	PC-id_141528702	390.824	UQQANSLLTCBDMH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154744
C1C(CN(C1C#N)C(=O)CNC1C2C1CN(C2)C(=O)c1ccc(cc1)Cl)F	PC-id_91599635,SCHEMBL4635221	390.839	ONNXQPVGCRGSPM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154745
Clc1ccc(C(=O)N2CC3C(C3NCC(=O)N3[C@@H](CC(F)C3)C#N)C2)cc1	SCHEMBL4635220,PC-id_69121934	390.839	ONNXQPVGCRGSPM-VCDOOQOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154746
Clc1ccc(C(=O)N2CC3C(C3NCC(=O)N3[C@@H](C[C@H](F)C3)C#N)C2)cc1	PC-id_69232380,SCHEMBL4895104	390.839	ONNXQPVGCRGSPM-RSOWUBFDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154747
OC(=O)C12CC(Cl)(Cl)C(C(C1(C2)C(=O)O)(Cl)Cl)(Cl)Cl	PC-id_140968937	390.86	OSYNZFXLNDYHPG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154748
CCN1CC2C(C1)C2CN(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)Cl)F	PC-id_66775367,SCHEMBL709422	390.882	MPZQBQRKCONCOL-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-154749
Cc1ccc(cc1)S(=O)(=O)N1CC2CC2C1C(=O)Nc1ccc(Cl)cc1	PC-id_3745926,MCULE-8217197610,EMOLS-id_27509681	390.884	RCICDUFHDROFDI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154750
Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H]3[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1	ZINC22_100941652,PC-id_98154226	390.884	RCICDUFHDROFDI-JEBQAFNWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154751
Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1	ZINC22_248032930	390.884	RCICDUFHDROFDI-KKXDTOCCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154752
Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]3[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1	ZINC22_248032933	390.884	RCICDUFHDROFDI-MORSLUCNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154753
Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]3[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1	ZINC22_248032936	390.884	RCICDUFHDROFDI-VHSSKADRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154754
Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1	ZINC22_4110351,PC-id_11877976	390.884	RCICDUFHDROFDI-DOPJRALCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154755
BrC(Br)(Br)C1C2C(C2C(O)C1=O)(C)C	PC-id_20164387	390.894	HYQBAILQQKPFJR-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154756
BrC(Br)(Br)[C@@H]1[C@H]2C([C@@H]2[C@H](O)C1=O)(C)C	PC-id_70432150,SCHEMBL10741071	390.894	HYQBAILQQKPFJR-AZGQCCRYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154758
O=C([C@@H]1C[C@@H]2[C@@](N1C(=O)OC(C)(C)C)(C2)C)N[C@@H]1C[C@H]1c1ccccc1Cl	SCHEMBL19592129	390.904	YWTPFSSRZLJIOT-MNDQMGRSSA-N	00100010000000110000110000000000000000000000000000000000	22-01-154759
C1C2C(C2(CI)CI)C(N1)C=O	PC-id_89354902	390.988	CSIJNNDOIYVTGI-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154760
O=C[C@H]1NC[C@H]2[C@@H]1C2(CI)CI	SCHEMBL14513478	390.988	CSIJNNDOIYVTGI-XVMARJQXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154761
ClC1(C2(OC2CC(O[Si](C(C)(C)C)(C)C)C1)C)CC(=O)OC(C)(C)C	PC-id_85314243	391.017	UYBCMQGWXLNARB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154762
ClC1([C@@]2(O[C@@H]2C[C@H](O[Si](C(C)(C)C)(C)C)C1)C)CC(=O)OC(C)(C)C	PC-id_10916165	391.017	UYBCMQGWXLNARB-CFZHSEEOSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154763
C#CNCC12CC1CN(C2)C(=O)C3=CSC(=N3)C4=C(C=C(C=C4)Cl)Cl	PC-id_165059443	391.031	BFZGYMQCNYFOAR-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-154764
CCCCCCCCCCCCCCCCCCCC1c2c1cccc2Cl	SCHEMBL19103594	391.073	LKRPCPHWKGMPNB-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-154765
Ic1ccc(CC2(CC3C(C3)C2)CBr)cc1	PC-id_80473174	391.085	XPOXVBIWMIFHOC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154766
C=CCOC(=O)N[C@]1([C@@H](C[C@@H]2[C@H]1[C@H]2C(=O)[O-])OCC3=CC=C(C=C3)F)C(=O)[O-]	PC-id_149885126	391.108	CEAANMOKYPOWMD-ZIUCBDDQSA-L	00100010000010110000010000000000000000000000000000000000	22-01-154767
C1CC2CC2(C1)NC(=O)NC3CCN(CC3)CC4=CC(=CC=C4)Br	EMOLS-id_257936306,PC-id_154764049,MCULE-9601739868	391.126	IQGIUTHRVDIKLV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154768
CC1=C(C(=C(N1)C(=C)C(CC2=CC3=C(C3(C)C)C(=C2)C(C)(C)C)O)Cl)Cl	PC-id_155000324	391.147	VJWXIUQVEQEXQN-UHFFFAOYSA-N	00100000110000100000010000000000000000000000000000000000	22-01-154769
CC1C(C2C(O2)(OC1C(=O)O)OC3C(COC(C3O)CO)N(C)C(=O)C)O	PC-id_149447975	391.148	YXBAPVAVSYOYIV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-154770
C1CC2C(C2OC1)C(=O)NCCC3=CSC(=N3)NC(=O)C4C5C4OCCC5	EMOLS-id_317296588,PC-id_154740521,MCULE-7848762073	391.157	BGYZZNDVVGFQQI-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-154771
Clc1cc(C(=O)NC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)ccc1Cl	PC-id_72825811	391.179	BEDMBMLZHGNUIF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154772
Clc1cc(C(=O)N[C@H]2[C@](N)([C@H]3[C@H]([C@]3(F)C(=O)O)C2)C(=O)O)ccc1Cl	PC-id_11383737,SCHEMBL233102	391.179	BEDMBMLZHGNUIF-TYCLUUFOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154773
OC(=O)C1C(CC2C1(N)C2(F)C(=O)O)NC(=O)c1ccc(c(c1)Cl)Cl	PC-id_141104362	391.179	LVBOVCULAASIKS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154774
CC1=CC=C(C=C1)S(=O)(=O)N(CC2CCC3C(C2)O3)CC4CCC5C(C4)O5	PC-id_153784842	391.182	GZLRNEGCFUTBDB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154775
C/C=CCCC(C1C(CC2C1C2(C)C)NS(=O)(=O)C3=CC=CC=C3)C(=O)O	PC-id_153866798	391.182	SVJQUZDZWHOSNU-PLNGDYQASA-N	00100010000010110000010000000000000000000000000000000000	22-01-154776
CC[C@H](C1[C@H]2[C@H]1CC(C2)OCC3CCOCC3)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517059	391.191	RBTLPNNBQIRMAJ-NGWDBGEYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154777
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)CC3CCCC(C3)(C(F)(F)F)O	PC-id_160797590	391.197	OWXYCNSJBLQDQR-FSRUHOLFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-154778
C1[C@@H]2[C@@H](C2CCNC(=O)/C=C/C3=CN=C(C=C3)N)CN1C(=O)NC4=CC=CC=C4	PC-id_147624470	391.201	GEMUXAVTPWPIBV-WWYVRZJZSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154779
O[C@H]1[C@H]2[C@@H]([C@]2([C@]([C@@H]1OCc1ccc(c(c1)Cl)Cl)(N)C(=O)O)N)C(=O)O	PC-id_144383321	391.203	GEEIOTCWXMEGRD-KCJAEPBISA-N	00100010000010110000010000000000000000000000000000000000	22-01-154780
CC(C=O)C1C2C1CC(C2)O[Si](C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C	PC-id_153289016	391.209	UDMJCXWMIOVYIO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154781
CCOC(=O)C1(F)C2C1CC(C2C(=O)O)OCc1ccc(c(c1)Cl)Cl	PC-id_141104353	391.218	XTBRXLCISVUZRE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154782
Clc1cc(CN(C2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)C)ccc1Cl	PC-id_23113107	391.222	RMGDEOFLFUUSLD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154783
Clc1cc(CN([C@@H]2[C@](N)([C@H]3[C@H]([C@]3(F)C(=O)O)C2)C(=O)O)C)ccc1Cl	PC-id_11395190	391.222	RMGDEOFLFUUSLD-QEHALRFJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154784
CC1CCC(CC1)C(=O)Nc1cc(cc(c1)C(=O)N1[C@@H](C[C@H]2[C@@H]1C2)C#N)C1CC1	PC-id_163706571	391.226	KFOQVOXJCOUUOV-PKTVOEGQSA-N	00100010000010110000110000000000000000000000000000000000	22-01-154785
CCCCCOC1=CC2CC2(C=C1)/C=NNC(=O)CCCCCCC(=O)NO	PC-id_163792370	391.247	MXXAWEJCGWTMCZ-JWGURIENSA-N	00100000000011000000010000000000000000000000000000000000	22-01-154786
C1C2C(C2C(=NOc2ccccc2)c2cc(c(cc2)Cl)Cl)CN1C(=O)O	PC-id_87173572,SCHEMBL898811	391.248	FYBMYWYDTMMEIN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154787
OC(=O)N1CC2C(C1)C2/C(=N/Oc1ccccc1)/c1ccc(c(c1)Cl)Cl	SCHEMBL898810	391.248	FYBMYWYDTMMEIN-RELWKKBWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154788
IC1C2N(S(=O)(=O)c3ccc(cc3)C)C2CCCC1	PC-id_85190055	391.268	WVAOIMSXCDTOBS-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-154789
I[C@H]1[C@@H]2N(S(=O)(=O)c3ccc(cc3)C)[C@@H]2CCCC1	PC-id_10572525	391.268	WVAOIMSXCDTOBS-GODZRQRCSA-N	00100000000000110100010000000000000000000000000000000000	22-01-154790
C12(CCCCC1C2C(=O)NN=Cc1ccc(c2ccc(c(Cl)c2)Cl)o1)C	PC-id_3119147,MCULE-7051643749	391.291	MUGMYCBDMMTNKL-UHFFFAOYSA-N	00100000101010110000110000000000000000000000000000000000	22-01-154791
c1(cccn(Cc2c(cccc2Cl)Cl)c1=O)C(=O)N1CC2C(C2)(CC)C1	EMOLS-id_317874087,MCULE-5236345645	391.291	KPJXVPLYKQVOSC-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154792
CC12CCCCC1C2C(=O)N/N=C/c1ccc(o1)c1ccc(Cl)c(Cl)c1	BAS-00801547,PC-id_9593520,EMOLS-id_1277768	391.291	MUGMYCBDMMTNKL-FOKLQQMPSA-N	00100000101010110000110000000000000000000000000000000000	22-01-154793
CC[C@@]12C[C@H]1CN(C(=O)c1cccn(Cc3c(Cl)cccc3Cl)c1=O)C2	ZINC22_1772805431	391.291	KPJXVPLYKQVOSC-RBZFPXEDSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154794
CC[C@]12C[C@H]1CN(C(=O)c1cccn(Cc3c(Cl)cccc3Cl)c1=O)C2	ZINC22_1772805433	391.291	KPJXVPLYKQVOSC-RNODOKPDSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154795
CC[C@@]12C[C@@H]1CN(C(=O)c1cccn(Cc3c(Cl)cccc3Cl)c1=O)C2	ZINC22_1772805435	391.291	KPJXVPLYKQVOSC-XCLFUZPHSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154796
CC[C@]12C[C@@H]1CN(C(=O)c1cccn(Cc3c(Cl)cccc3Cl)c1=O)C2	ZINC22_1772805436	391.291	KPJXVPLYKQVOSC-ZUOKHONESA-N	00100010000000111000010000000000000000000000000000000000	22-01-154797
Clc1cc(c2oc(C=NNC(=O)[C@@H]3[C@]4([C@@H]3CCCC4)C)cc2)ccc1Cl	PC-id_11900837	391.291	MUGMYCBDMMTNKL-LXGCGDOSSA-N	00100000101010110000110000000000000000000000000000000000	22-01-154798
Clc1cc(c2oc(C=NNC(=O)[C@@H]3[C@@]4([C@H]3CCCC4)C)cc2)ccc1Cl	PC-id_11900838	391.291	MUGMYCBDMMTNKL-QMIHWGKISA-N	00100000101010110000110000000000000000000000000000000000	22-01-154799
O=C([C@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=C/c1ccc(o1)c1ccc(c(c1)Cl)Cl	CoCoCo_135328	391.291	MUGMYCBDMMTNKL-WLDGUDFISA-N	00100000101010110000110000000000000000000000000000000000	22-01-154800
O=C([C@H]1[C@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(c(c1)Cl)Cl	CoCoCo_135329	391.291	MUGMYCBDMMTNKL-UHMCQHFASA-N	00100000101010110000110000000000000000000000000000000000	22-01-154801
O=C([C@H]1[C@H]2[C@]1(C)CCCC2)N/N=C/c1ccc(o1)c1ccc(c(c1)Cl)Cl	CoCoCo_135330	391.291	MUGMYCBDMMTNKL-FRVCPQCZSA-N	00100000101010110000110000000000000000000000000000000000	22-01-154802
O=C([C@@H]1[C@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(c(c1)Cl)Cl	CoCoCo_135331	391.291	MUGMYCBDMMTNKL-GENKIARWSA-N	00100000101010110000110000000000000000000000000000000000	22-01-154803
O=C([C@@H]1[C@H]2[C@]1(C)CCCC2)N/N=C/c1ccc(o1)c1ccc(c(c1)Cl)Cl	CoCoCo_135332	391.291	MUGMYCBDMMTNKL-MKYSUJOQSA-N	00100000101010110000110000000000000000000000000000000000	22-01-154804
O=C([C@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(c(c1)Cl)Cl	CoCoCo_135333	391.291	MUGMYCBDMMTNKL-SOVBLYNISA-N	00100000101010110000110000000000000000000000000000000000	22-01-154805
O=C([C@@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(c(c1)Cl)Cl	CoCoCo_135334	391.291	MUGMYCBDMMTNKL-MNLNHQOFSA-N	00100000101010110000110000000000000000000000000000000000	22-01-154806
O=C([C@@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=C/c1ccc(o1)c1ccc(c(c1)Cl)Cl	CoCoCo_135335	391.291	MUGMYCBDMMTNKL-YBXAYGRQSA-N	00100000101010110000110000000000000000000000000000000000	22-01-154807
O=C([C@H]1[C@@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(c(c1)Cl)Cl	PC-id_98070070	391.291	MUGMYCBDMMTNKL-DDIRUZNASA-N	00100000101010110000110000000000000000000000000000000000	22-01-154808
O=C([C@H]1[C@H]2[C@@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(c(c1)Cl)Cl	PC-id_98070071	391.291	MUGMYCBDMMTNKL-DANGSDKXSA-N	00100000101010110000110000000000000000000000000000000000	22-01-154809
O=C(NCc1ccccc1c1ccc(Cl)cc1Cl)N1CC[C@@]2(O)C[C@H]2C1	EMOLS-id_316899296,ZINC22_664434441,MCULE-3004476200	391.291	TWNLQNKEDLGYCG-VBKZILBWSA-N	00100000000010110000110000000000000000000000000000000000	22-01-154810
Brc1cc(C=NNC(=O)[C@@H]2[C@]3([C@@H]2CCCC3)C)c(OCC=C)cc1	PC-id_11893158	391.302	UTXVFOHELIKLAX-SZVBFZGTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154811
Brc1cc(C=NNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)c(OCC=C)cc1	PC-id_11893159	391.302	UTXVFOHELIKLAX-WDYCEAGBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154812
C12(CCCCC1C2C(=O)NN=Cc1cc(Br)ccc1OCC=C)C	MCULE-4897708862,PC-id_3799241	391.302	UTXVFOHELIKLAX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154813
CC12CCCCC1C2C(=O)N/N=C/c1cc(Br)ccc1OCC=C	TIMTEC487898,EMOLS-id_46400077,PC-id_9636519	391.302	UTXVFOHELIKLAX-CIAFOILYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154814
C=CCOc1ccc(cc1/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2)Br	CoCoCo_6560559	391.302	UTXVFOHELIKLAX-SFVBOFDGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154815
C=CCOc1ccc(cc1/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2)Br	CoCoCo_6560560	391.302	UTXVFOHELIKLAX-CWTVPIALSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154816
C=CCOc1ccc(cc1/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2)Br	CoCoCo_6560561	391.302	UTXVFOHELIKLAX-BEQSYLMMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154817
C=CCOc1ccc(cc1/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2)Br	CoCoCo_6560563	391.302	UTXVFOHELIKLAX-LIGPIPQNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154818
C=CCOc1ccc(cc1/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2)Br	CoCoCo_6560564	391.302	UTXVFOHELIKLAX-UOGCTUSDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154819
C=CCOc1ccc(cc1/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2)Br	CoCoCo_6560565,PC-id_98234321	391.302	UTXVFOHELIKLAX-UWDJBPQBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154820
C=CCOc1ccc(cc1/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2)Br	CoCoCo_6560566	391.302	UTXVFOHELIKLAX-MVRSUKAXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154821
C=CCOc1ccc(cc1/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2)Br	PC-id_100814655,CoCoCo_6560562	391.302	UTXVFOHELIKLAX-ZNKXBIBNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154822
C=CCOc1ccc(cc1/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2)Br	PC-id_98078540	391.302	UTXVFOHELIKLAX-VYZQUFJRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154823
C=CCOc1ccc(cc1/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2)Br	PC-id_98078542	391.302	UTXVFOHELIKLAX-DCKGTWGASA-N	00100000000010110000010000000000000000000000000000000000	22-01-154824
FC(F)(F)c1cc(C[C@H](N)C(=O)N2[C@@H]3C(C3)C[C@H]2C#N)cc(c1)C(F)(F)F	PC-id_46870457	391.311	HQRBYZPAINSGPU-XEYOOUFMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154825
FC(F)(F)c1cc(CC(N)C(=O)N2C3C(C3)CC2C#N)cc(c1)C(F)(F)F	PC-id_75238334	391.311	HQRBYZPAINSGPU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154826
C1C(C(C2C1C2C(=O)O)(C(=O)O)N)Cc1cc(ccc1)OC(C(F)F)(F)F	PC-id_88361713,SCHEMBL8762578	391.314	QFNPKQLWNXNISE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154827
CSCC[C@H](O)C(=O)N[C@H]1[C@@H]2CN(C(=O)C(=C(C)C)Br)C[C@H]12	ZINC22_2325878569	391.324	USZIEFSTPJLNQL-SRRSOLGSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154828
CSCC[C@@H](O)C(=O)N[C@H]1[C@@H]2CN(C(=O)C(=C(C)C)Br)C[C@H]12	ZINC22_2325878570	391.324	USZIEFSTPJLNQL-XZUYRWCXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154829
OC(=O)O[C@@]1(N)[C@@H](CSc2ccc(c(c2)F)F)[C@H]([C@H]2[C@H]1[C@@H]2OC(=O)O)O	SCHEMBL19347616	391.344	DWYMCTBZEDUCTB-CVMOAJMQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154830
Br[C@H]([Si](C)(C)C)[C@@]12[C@@H](C1)CC(C2)(C(=O)OCC)C(=O)OCC	PC-id_11257820	391.373	ZGORDBGFBCXPQA-ZOWXZIJZSA-N	00100010000010000000010000000000000000000000000000000000	22-01-154831
BrC([Si](C)(C)C)C12C(C1)CC(C2)(C(=O)OCC)C(=O)OCC	PC-id_72772458	391.373	ZGORDBGFBCXPQA-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-154832
Cc1cccc(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COc1ccc(cn1)C(F)(F)F	PC-id_49802279,SCHEMBL608184	391.387	ARNRGACJXLZARJ-YCPHGPKFSA-N	00100000000010101000010000000000000000000000000000000000	22-01-154833
FC(F)(F)c1ccc(OCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2)C)nc1	PC-id_75282348	391.387	ARNRGACJXLZARJ-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-154834
FC(F)(F)Oc1cc(CN(CC2C3C2CNC3)C(=O)c2ncccc2)ccc1	SCHEMBL6103029,PC-id_69665097	391.387	DFPBCVFABBJEQN-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154835
O=COC[C@@H]1[C@@H]2[C@H]1S(=O)(=O)C[C@@]2(NC(=O)[C@H](COC(=O)C)C)C(=O)OC	PC-id_58403707,SCHEMBL1101492	391.394	GUTMGKWAZQCHRG-BLYSDKNSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-154836
S1(=O)(=O)C2C(C2COC=O)C(NC(=O)C(COC(=O)C)C)(C1)C(=O)OC	PC-id_76777677	391.394	GUTMGKWAZQCHRG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-154837
CCC(O[C@H]1C=C(C[C@H]2[C@@H]1N2C(c1ccccc1)c1ccccc1)C(=O)O)CC	SCHEMBL6632599	391.503	AGJXOXXENIVIQA-NAPBUYQCSA-N	00100000000011110000010000000000000000000000000000000000	22-01-154878
CN1CCN(C(=O)C(=O)NC[C@]23CCC[C@@H]2C3(F)F)[C@H](c2ccccc2)C1=O	ZINC22_1875307582	391.412	FFTBIGMEXHBIPM-QMTMVMCOSA-N	00100010000010110001110000000000000000000000000000000000	22-01-154838
CN1CCN(C(=O)C(=O)NC[C@]23CCC[C@H]2C3(F)F)[C@H](c2ccccc2)C1=O	ZINC22_1875307583	391.412	FFTBIGMEXHBIPM-SPYBWZPUSA-N	00100010000010110001110000000000000000000000000000000000	22-01-154839
CN1CCN(C(=O)C(=O)NC[C@]23CCC[C@@H]2C3(F)F)[C@@H](c2ccccc2)C1=O	ZINC22_1875307584	391.412	FFTBIGMEXHBIPM-YZVOILCLSA-N	00100010000010110001110000000000000000000000000000000000	22-01-154840
CN1CCN(C(=O)C(=O)NC[C@]23CCC[C@H]2C3(F)F)[C@@H](c2ccccc2)C1=O	ZINC22_1875307585	391.412	FFTBIGMEXHBIPM-ZRGWGRIASA-N	00100010000010110001110000000000000000000000000000000000	22-01-154841
O=C1N(C)CCN(C1c1ccccc1)C(=O)C(=O)NCC12CCCC1C2(F)F	PC-id_146150546	391.412	FFTBIGMEXHBIPM-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-154842
COC(=O)[C@@H]1CO[C@@H]2[C@H](N1C(=O)OCc1ccccc1)[C@H]2C(=O)OC(C)(C)C	PC-id_102390962	391.415	AORJRGKPKSMPGA-JJXSEGSLSA-N	00100000000010110001010000000000000000000000000000000000	22-01-154843
COC(=O)[C@@H]1CO[C@H]2[C@@H](N1C(=O)OCc1ccccc1)[C@@H]2C(=O)OC(C)(C)C	PC-id_68579018,SCHEMBL3278443	391.415	AORJRGKPKSMPGA-YHUYYLMFSA-N	00100000000010110001010000000000000000000000000000000000	22-01-154844
O1C2C(N(C(C1)C(=O)OC)C(=O)OCc1ccccc1)C2C(=O)OC(C)(C)C	PC-id_77524988	391.415	AORJRGKPKSMPGA-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-154845
C=CCn1c(=O)n(C(C(=O)OCC2CCC3C(C2)O3)C)c(=O)n(c1=O)CC=C	PC-id_140231794	391.418	UZOYJEPHDJNEFY-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-154846
CC[C@@H](N1C(=O)OC(C1=O)c1nnc(o1)CC1=CC2C(C=C1)C2)c1ccccc1	PC-id_145561134	391.42	BKTRPSFQEQYWFG-APUKJBRXSA-N	00100010100011110001110000000000000000000000000000000000	22-01-154847
NCC1C2C1C2C(C(=O)OCC#Cc1cn([C@@H](CC(O)C)O)c(=O)nc1N)N	SCHEMBL19033263	391.422	JPZKXXJBQUNSIH-GHLYGBAFSA-N	00101000000000100001010000000000000000000000000000000000	22-01-154848
FC(F)(F)C(O)CN(CC1C2C1CCC2)c1cc(Oc2ccccc2)ccc1	PC-id_60108943	391.427	XRLWIEOGWWXIBT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154849
Fc1ccccc1C(=O)N1CC2C(C1)N2SSc1ccc(cc1)[N+](=O)[O-]	PC-id_143613248	391.44	DDDGDQNGORGKIA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154850
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C[C@]23CCCC[C@@H]2C3(F)F)c1	ZINC22_665827283	391.455	ZKRGABPRSSLVQW-FXAWDEMLSA-N	00100000000010110000110000000000000000000000000000000000	22-01-154851
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1	ZINC22_665827284	391.455	ZKRGABPRSSLVQW-PXNSSMCTSA-N	00100000000010110000110000000000000000000000000000000000	22-01-154852
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C[C@@]23CCCC[C@H]2C3(F)F)c1	ZINC22_665827285	391.455	ZKRGABPRSSLVQW-XLIONFOSSA-N	00100000000010110000110000000000000000000000000000000000	22-01-154853
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c1	ZINC22_665827286	391.455	ZKRGABPRSSLVQW-YLJYHZDGSA-N	00100000000010110000110000000000000000000000000000000000	22-01-154854
O=C(CC12CCCCC1C2(F)F)Nc1cc(ccc1N1CCCCC1)C(=O)N	MCULE-3661482620,EMOLS-id_316912866	391.455	ZKRGABPRSSLVQW-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-154855
CC(CNC1CC(N)[C@H](C([C@@H]1O)O)O[C@H]1OC(C(O)C)[C@H](C2([C@@H]1N2)O)O)C	SCHEMBL18616746	391.46	CFZXWQLBCMWVMZ-YDSNEYPESA-N	00100000000010000000010000000000000000000000000000000000	22-01-154856
CC1(C)OC[C@@H]2C[C@]12NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	ZINC22_528927504	391.463	INIHQHVAWXZANT-FDDCHVKYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154857
CC1(C)OC[C@H]2C[C@@]12NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	ZINC22_528927508	391.463	INIHQHVAWXZANT-JPYJTQIMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154858
CC1(C)OC[C@@H]2C[C@@]12NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	ZINC22_528927512	391.463	INIHQHVAWXZANT-MBSDFSHPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154859
CC1(C)OC[C@H]2C[C@]12NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	ZINC22_528927516	391.463	INIHQHVAWXZANT-WZONZLPQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154860
CCc1ccc(cc1)CC(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1noc(c1)c1ccco1	EMOLS-id_317055818	391.463	DVAACOSXYYNTAT-MOJGAOKDSA-N	00100010101000110001110000000000000000000000000000000000	22-01-154861
N#CCc1ccc(cc1)OCc1ccccc1NC(=O)NC12CC1COC2(C)C	MCULE-7040371932,EMOLS-id_177294072	391.463	INIHQHVAWXZANT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154862
O=C(N1CC[C@H]2[C@@]1(C2)C(=O)NCc1ccc(cc1)C(=N)N)[C@@H](c1ccccc1)N	PC-id_20684576,SCHEMBL7311919	391.466	HGKUATQAOHQXSW-HMFYCAOWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154863
O=C(NCc1ccc(cc1)C(=N)N)C12N(CCC1C2)C(=O)C(N)c1ccccc1	PC-id_17800334	391.466	HGKUATQAOHQXSW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154864
CCC(=N)C1C(=NC=NC1NC12CC1C=CC(=C2)OC)N/N=C/c1ccncc1	PC-id_142854388	391.47	LQDGWKSSJPYZIZ-BHDQUVRXSA-N	00100000000011101001010000000000000000000000000000000000	22-01-154865
CC(C)(C)OC(=O)N1CC2C(C1)C2CN(c1ccccc1)N1CCOCC1F	PC-id_91230562	391.48	HCIGEFPSERNDQW-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-154866
Fc1cc(NCC2C3C2CN(C3)C(=O)OC(C)(C)C)ccc1N1CCOCC1	PC-id_69038711,SCHEMBL4424986	391.48	DEHGQGNTPSFFGJ-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-154867
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C(=O)C1(CCCCC1)c1ccc(cc1)S(=O)(=O)C	MCULE-7101020730,ZINC22_426624723,EMOLS-id_82734041	391.481	DNNUILWTRUYLHN-FVQHAEBGSA-N	00100010000010110000110000000000000000000000000000000000	22-01-154868
NCC(=O)C1(C(=O)O)C(CC)C(C2C1(CC)C2C(=O)O)Sc1ccccc1	PC-id_67721532,SCHEMBL8903405	391.481	NCOHLZDSYNHBCS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154869
NCC(=O)C1C(Sc2ccccc2)C2C(C1(CC)C(=O)O)(C2C(=O)O)CC	PC-id_67721529,SCHEMBL8903399	391.481	LMCPQHWLWNSZRF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154870
OC(=O)C1[C@@H]2[C@H]1CN(C2)C(=O)C1(CCCCC1)c1ccc(cc1)S(=O)(=O)C	PC-id_119071314	391.481	DNNUILWTRUYLHN-SJPCQFCGSA-N	00100010000010110000110000000000000000000000000000000000	22-01-154871
CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)NC1CC2C(C1)C2	EMOLS-id_102228225	391.484	SVHRAVMMLDIMTC-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-154872
O=C(N1CCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)C)NC1CC2C(C1)C2	EMOLS-id_102212332	391.484	CYKWQVGQMLGZME-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-154873
O=C(c1sc(nc1C)c1ncccn1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_320144808,MCULE-6814351227	391.489	QERDWYXGWHZYGO-FVQHAEBGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-154874
O=C(N(C1CCC2C(C1)C2)CCCCN1CCCC1)Nc1ccc(c(c1)F)F	PC-id_142251159	391.498	XJVFSVBELJPFPS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154875
O[C@@H]([C@H]1O[C@@]2([C@]([C@H]1O)(C2(C)C)O)O)CN(C1CCCCC1)Cc1ccccc1	PC-id_101035250	391.501	GHPYNKJZQGWUDF-DGYCAGFBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154876
CCC(CC)OC1C=C(CC2C1N2C(c1ccccc1)c1ccccc1)C(=O)O	PC-id_88020324,SCHEMBL6632605	391.503	AGJXOXXENIVIQA-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-154877
CCC(O[C@@H]1C=C(C[C@@H]2[C@H]1N2C(c1ccccc1)c1ccccc1)C(=O)O)CC	SCHEMBL6632602	391.503	AGJXOXXENIVIQA-LKJMEBJVSA-N	00100000000011110000010000000000000000000000000000000000	22-01-154879
O(CC1C2C1CN(C2)Cc1ccccc1)C(=O)C(O)(C1CCC1)c1ccccc1	PC-id_11429260	391.503	IYEQNWFNPGKDRK-UHFFFAOYSA-N	00101010000000110000010000000000000000000000000000000000	22-01-154880
O=C([C@H]1N(CC2[C@@H]1C2(C)C)C(=O)CC(C)(C)C)NC(C(=O)C(=O)N)CC1CC1	PC-id_117755002,SCHEMBL16313165	391.504	TVNSRSZHADZDAI-BGHVQYPCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154881
O=C([C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)CC(C)(C)C)NC(C(=O)C(=O)N)CC1CC1	PC-id_58605280,SCHEMBL10140289	391.504	TVNSRSZHADZDAI-DXSPHCOUSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154882
O=C(N1C2C(C2)CC1C(=O)N)C(NC(=O)OC(C)(C)C)C1(CCCCC1)C=C	PC-id_72811996	391.504	XDBLSOOXKVPXDS-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-154883
O=C(N1[C@@H]2[C@@H](C2)C[C@H]1C(=O)N)C(NC(=O)OC(C)(C)C)C1(CCCCC1)C=C	PC-id_11349854	391.504	XDBLSOOXKVPXDS-HEHBBPHXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-154884
O=C(NC(CC1CC1)C(=O)C(=O)N)C1N(CC2C1C2(C)C)C(=O)CC(C)(C)C	PC-id_21017193	391.504	TVNSRSZHADZDAI-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154885
CC1NC(=CC(=O)N1/N=C(/c1ccccc1)C)COC1=CC=CC2(C1C2)C(C)C	PC-id_143995565	391.506	VZLLDSTWWFCBOR-YZSQISJMSA-N	00100000000011110001010000000000000000000000000000000000	22-01-154886
[C@H]1(C(=O)N2CCN(CC2)C(c2ccccc2)COc2ccccc2)[C@H]2[C@@H]1CNC2	MCULE-7429943554,EMOLS-id_337676500	391.506	RLGDYQBZLSOJPN-WUMQOOLASA-N	00100010000010110001010000000000000000000000000000000000	22-01-154887
NC(C12CN(CC2C1)Cc1ccccc1)NC(=O)C(c1ccccc1)(C1CC1)O	PC-id_69143634,SCHEMBL4683817	391.506	GJXWUBCPJFKRTO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154888
OC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-6801612837,EMOLS-id_320339001	391.506	FXSFVOIFULPRLN-JKHIJQBDSA-N	00100010000010110000110000000000000000000000000000000000	22-01-154889
OC(C1CC1)(C(=O)NCNC1C2C1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_73309171	391.506	ASLKBYRGZRNMAH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154890
OC(C1CC1)(C(=O)NCNC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_16718031	391.506	ASLKBYRGZRNMAH-FPCVHMJOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154891
O=C(C(c1ccccc1)(C1CCCC1)O)NC1C2C1CN(C2)Cc1ccncc1	SCHEMBL4073059,PC-id_68901499	391.506	AELJIWCCVYNHED-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154892
O=C(C(c1ccccc1)(C1CCCC1)O)N[C@@H]1[C@@H]2C1CN(C2)Cc1ccncc1	SCHEMBL4073062	391.506	AELJIWCCVYNHED-SFBGMRDWSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154893
O=C([C@@H]1[C@H]2CNC[C@@H]12)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1	ZINC22_2100543384	391.506	RLGDYQBZLSOJPN-ACESQOTJSA-N	00100010000010110001010000000000000000000000000000000000	22-01-154894
O=C([C@@H]1[C@H]2CNC[C@@H]12)N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1	ZINC22_2100543385	391.506	RLGDYQBZLSOJPN-GSPCLOLRSA-N	00100010000010110001010000000000000000000000000000000000	22-01-154895
OC(C(=O)NC1C2C1CN(C2)Cc1cccnc1)(C1CCCC1)c1ccccc1	PC-id_85102516	391.506	NKGIWAYDEYNOPG-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154896
OC(C(=O)NC1C2[C@@H]1CN(C2)Cc1ccncc1)(C1CCCC1)c1ccccc1	PC-id_68901500	391.506	AELJIWCCVYNHED-JEQKDIDCSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154897
OC(C(=O)NC1[C@@H]2[C@H]1CN(C2)Cc1cccnc1)(C1CCCC1)c1ccccc1	PC-id_10045990	391.506	NKGIWAYDEYNOPG-FPCVHMJOSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154898
OC(C(=O)NC1[C@@H]2[C@H]1CN(C2)Cc1ccncc1)(C1CCCC1)c1ccccc1	PC-id_10340425	391.506	AELJIWCCVYNHED-FPCVHMJOSA-N	00100010000000111000010000000000000000000000000000000000	22-01-154899
Cc1ccc(cc1)c1nc(c(cc1)N)NC(=O)C1[C@H]2[C@@H]1CN(C2)CC1CN(C1)C	PC-id_135209280	391.509	HAXBLKUJIGOUCQ-HTZLVSCSSA-N	00101010000000111000110000000000000000000000000000000000	22-01-154900
CN1CC(C1)CN1C[C@@H]2[C@H](C1)[C@H]2C(=O)Nc1nc(ccc1N)c1ccc(cc1)C	SCHEMBL20364295	391.509	HAXBLKUJIGOUCQ-WGMWDUQUSA-N	00101010000000111000110000000000000000000000000000000000	22-01-154901
CCC1C(SCC(c2ccccc2)C)C2C(C1(N)C(=O)O)(C2C(=O)O)CC	PC-id_67721405,SCHEMBL8902894	391.524	TTXKBBWRAVXNCC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154902
CCCCC(=CC(=O)O)C1C(CC2C1C2(C)C)NS(=O)(=O)c1ccccc1	SCHEMBL9876190,PC-id_88528444	391.524	NGMUBHNFICTSGO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154903
O=C1CCCCCCC2OC2(CCOC(=O)CCC1)C=Cc1csc(n1)C	PC-id_142903165	391.524	FKDBMNTYGHLAKZ-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-154904
S(=O)(=O)(NC1C(C2C(C2(C)C)C1)CC=CCCCC(=O)O)c1ccccc1	PC-id_44209381	391.524	NVJJBSAPSFIKTB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154905
S(=O)(=O)(N[C@@H]1[C@H]([C@H]2[C@H](C2(C)C)C1)CC=CCCCC(=O)O)c1ccccc1	PC-id_14507279	391.524	NVJJBSAPSFIKTB-XSYGEPLQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154906
S(=O)(=O)(N[C@@H]1[C@H]([C@@H]2[C@@H](C2(C)C)C1)CC=CCCCC(=O)O)c1ccccc1	PC-id_54132561	391.524	NVJJBSAPSFIKTB-DOADOZAASA-N	00100010000010110000010000000000000000000000000000000000	22-01-154907
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_99674816	391.528	UIMGQWYHEADASJ-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-154908
CCS(=O)(=O)c1ccc(cc1)N1CCC(CC1)NC(=O)NC12CCCC1C2	EMOLS-id_177284850,MCULE-3971403790	391.528	LZVJTIAHFBVMBC-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-154909
CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N[C@@]34CCC[C@@H]3C4)CC2)cc1	ZINC22_585098130	391.528	LZVJTIAHFBVMBC-FOIQADDNSA-N	00100010000010110000110000000000000000000000000000000000	22-01-154910
CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N[C@@]34CCC[C@H]3C4)CC2)cc1	ZINC22_585098133	391.528	LZVJTIAHFBVMBC-MGPUTAFESA-N	00100010000010110000110000000000000000000000000000000000	22-01-154911
CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N[C@]34CCC[C@@H]3C4)CC2)cc1	ZINC22_585098134	391.528	LZVJTIAHFBVMBC-QRWLVFNGSA-N	00100010000010110000110000000000000000000000000000000000	22-01-154912
CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N[C@]34CCC[C@H]3C4)CC2)cc1	ZINC22_585098135	391.528	LZVJTIAHFBVMBC-YWZLYKJASA-N	00100010000010110000110000000000000000000000000000000000	22-01-154913
O=C(C1C2C1CCC2)N1CCN(CC1)CCNS(=O)(=O)c1ccc(cc1)C	EMOLS-id_100426246	391.528	HFEHWHKUYRCKFZ-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-154914
O=C(c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)N1CC2C(C1)C2(C)C	EMOLS-id_111161699	391.528	OWBUTSQIQTXRHX-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-154915
O=C(N1CC2C(C1)C2(C)C)Nc1cc(ccc1C)S(=O)(=O)N1CCCCC1	EMOLS-id_111850160	391.528	XRPLYSPKCQIJTP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154916
O=C(N1CC2C(C1)C2(C)C)Nc1ccc(c(c1)S(=O)(=O)N1CCCCC1)C	EMOLS-id_111849971	391.528	VBHSEUVGTQGKJC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154917
O=C(N1CC2C(C1)C2(C)C)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1	EMOLS-id_111848796	391.528	MDRUOKYTSLRWQK-UHFFFAOYSA-N	00100010000000110100010000000000000000000000000000000000	22-01-154918
O=C(N1CC2C(C1)C2(C)C)NCc1ccc(cc1)S(=O)(=O)N1CCCCC1	EMOLS-id_111236181	391.528	HWJJACOGMTXDQY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154919
O=C(N1CC2C(C1)C2(C)C)NCC1CCN(CC1)S(=O)(=O)c1ccccc1	EMOLS-id_111237959	391.528	DPLFJZMAILWSTL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154920
CCCCCCCC([C@H]1COC([C@]2([C@@]1(O)C2(C)C)O)OCc1ccccc1)N	SCHEMBL3425527,PC-id_68637541	391.544	HFPZGOMFDCGQGR-JUNWAVFTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154921
NCCCCCCCC[C@H]1COC([C@]2([C@@]1(O)C2(C)C)O)OCc1ccccc1	SCHEMBL5045116,PC-id_69291823	391.544	GPZGMGMRVKHCBF-CQMMHITQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154922
OC12C(C1(O)C(OCC2CCCCCCCCN)OCc1ccccc1)(C)C	PC-id_77702401	391.544	GPZGMGMRVKHCBF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154923
OC12C(C1(O)C(OCC2C(N)CCCCCCC)OCc1ccccc1)(C)C	PC-id_77531370	391.544	HFPZGOMFDCGQGR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154924
O=C(OCC1C2C1CCC#CCC2)NCCC(OCCC(C(=O)C)(C)C)(C)C	PC-id_139307768,SCHEMBL21152584	391.544	SZJMKAGFPMGDEB-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-154925
CC1CC(CC(C2C1O2)N(C)C)OC(=O)C(c1cccs1)c1cccs1	PC-id_122463168,SCHEMBL17987765	391.547	LMYBSLOPBZWTMD-UHFFFAOYSA-N	00100000100100000100010000000000000000000000000000000000	22-01-154926
CC1(C2(N1N2)S(=C)(=O)N(C1CCCCC1)C1CCCCC1)S(=O)(=O)O	PC-id_91162926	391.549	IVNNQXNIUUQKCT-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-154927
CCc1ccc(cc1)CN1CC2C(C1)C2C(=O)Nc1ccc(cc1)N(CC)CC	SCHEMBL4421587,PC-id_69037367	391.549	PDKXHLZFOFJXDK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154928
COC(=O)[C@H]1N(C[C@H]2C1C2(C)C)C(=O)[C@H](C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])NC(=O)OC(C)(C)C	PC-id_57773839,SCHEMBL13787391	391.55	AVAMRGOONZYOCL-OPHOIXBFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154929
O(C(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)C(NC(=O)OC(C)(C)C)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C	PC-id_54752687	391.55	AVAMRGOONZYOCL-WCZJHTBOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154930
s1cc(nc1C)C=C(C1OC(=O)CCCCCCCCCCC2OC2C1)C	PC-id_85259372	391.567	FDFMCHIFVXKWQR-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-154931
s1cc(nc1C)/C=C(/[C@H]1OC(=O)CCCCCCCCCC[C@H]2O[C@H]2C1)C	PC-id_10763052	391.567	FDFMCHIFVXKWQR-INMLGBLISA-N	00100000100000000101010000000000000000000000000000000000	22-01-154932
S(=O)(=O)(N1CC2(C(C2)C1)CC(=O)CCCCCCCC)c1ccc(cc1)C	PC-id_11625315	391.567	VFBMYUBZUNHUNJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154933
CC(C)(C)[Si](C)(C)OCC12CC1C(=O)N(C2)Cc1c(cc(cc1)OC)OC	PC-id_89465864,SCHEMBL14814381	391.577	CRMZOJUFMOYKKQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154934
COc1cc(OC)ccc1CN1CC2(C(C1=O)C2)C(C(C)(C)C)O[SiH](C)C	SCHEMBL14814385	391.577	WWJISJIAWRQZNN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154935
[Si](OCC1[C@@H]2[C@H]1CC(N=[N+]=[N-])C2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10091875	391.581	DVVLNASPQFPLAR-QFWMWPAFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154936
S(=O)(=O)(N1C2C1CCCCCC2)c1c(C(C)C)cc(cc1C(C)C)C(C)C	PC-id_12186414	391.61	MCCANFNFKGFSBW-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-154937
OC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C([2H])([2H])[2H])C([2H])([2H])[2H])C(=O)[C@@H](NC(=O)NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]	PC-id_54752850	391.631	ODCGBMOBUUHGRG-LZDHOZDTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-154938
Brc1ccc(c2sc(nc2C(=O)N2C(C3C(C3)C2)CN)C)cc1	PC-id_77530834	392.313	HERNORISAYWNRF-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155019
CCC[C@H](C1CCC(CC1)C(C12C=CC(=CC1C2)C)CC1=CN=CC=C(C1)C)C	PC-id_143377909	391.632	CPNBWWVKMVBQAD-JOZDYOJBSA-N	00100000000011000110010000000000000000000000000000000000	22-01-154939
Brc1ccc(c(c1)C(=O)c1ccc(cc1)OC1CC2C(C1)C2)Cl	PC-id_90127663,SCHEMBL15680684	391.686	QJIPWKYSJZBOCK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154940
Brc1ccc(c(c1)C(=O)c1ccc(cc1)OC1CC2[C@H](C1)C2)Cl	SCHEMBL15680854	391.686	QJIPWKYSJZBOCK-FUJMWEONSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154941
CC1C2C1CC(C2)Oc1ccc(cc1)Cc1cc(Br)ccc1Cl	PC-id_134331220,SCHEMBL19954114	391.729	RWCPNLUFMSNGFN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154942
CCOC(=O)C1C2C1C(=O)N(N(C)c1ncc(cc1Cl)C(F)(F)F)C2=O	MCULE-4181352502,PC-id_3372250,EMOLS-id_4884530	391.73	BHOPNBDZEIPCFF-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-154943
CCOC(=O)C1[C@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]12	PC-id_27815667,ZINC22_18054732	391.73	BHOPNBDZEIPCFF-ULKQDVFKSA-N	00100010000000101000010000000000000000000000000000000000	22-01-154944
CCOC(=O)C1[C@@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]12	PC-id_98151164,ZINC22_100914119	391.73	BHOPNBDZEIPCFF-RKDXNWHRSA-N	00100010000000101000010000000000000000000000000000000000	22-01-154945
CCOC(=O)C1[C@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12	ZINC22_100914115,PC-id_98151163	391.73	BHOPNBDZEIPCFF-IUCAKERBSA-N	00100010000000101000010000000000000000000000000000000000	22-01-154946
CCOC(=O)[C@@H]1[C@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]12	ZINC22_252427674	391.73	BHOPNBDZEIPCFF-MYJAWHEDSA-N	00100010000000101000010000000000000000000000000000000000	22-01-154947
CC(C1CCC2C(C1)O2)[Si]1(O[Si](O[Si](O[Si](O1)(C)C)C)(C)C)C	PC-id_88557706	391.735	TXQQPABNLQNPJC-UHFFFAOYSA-N	00100000000010000101010000000000000000000000000000000000	22-01-154948
Clc1cc(C(=O)NSC2CC2)c(cc1OCC1CC2C(C1)C2(F)F)F	PC-id_145674196	391.836	YZGKPPNLVROEDE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154949
CCOc1sc(c(n1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N)c1cccc(c1)Cl	SCHEMBL1572655,PC-id_67081662	391.872	QYGXOUGNNVJSQT-DRZSPHRISA-N	00100010100000110001110000000000000000000000000000000000	22-01-154950
CCOc1sc(c(n1)C(=O)N1[C@H]2C[C@@H]2C[C@H]1C(=O)N)c1cccc(c1)Cl	SCHEMBL1572658,PC-id_67081665	391.872	QYGXOUGNNVJSQT-WXHSDQCUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-154951
Clc1cc(c2sc(OCC)nc2C(=O)N2C3C(C3)CC2C(=O)N)ccc1	PC-id_77223085	391.872	QYGXOUGNNVJSQT-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-154952
Clc1c(C[C@@H](O)C=C2C3[C@@H]2N(C(=O)C3)CCCCCCC(=O)O)cccc1	SCHEMBL6304014,PC-id_69736314	391.888	CIOURXBWXVJBOB-IKZMBGHXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154953
Clc1c(CC(O)C=C2C3C2N(C(=O)C3)CCCCCCC(=O)O)cccc1	PC-id_77705120	391.888	CIOURXBWXVJBOB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154954
CN(C)C1(CC1)C(=O)N[C@H]1C[C@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	SCHEMBL20631367,PC-id_137399704	391.892	JSECLNKPMINNSJ-BACDZXNISA-N	00100010000010110000010000000000000000000000000000000000	22-01-154955
Clc1c([C@@H](O)[C@]23N(S(=O)(=O)c4ccc(cc4)C)[C@H]2CCCC3)cccc1	PC-id_11429273	391.912	XCHJEHXACHKGEZ-QVEXQMEPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154956
Clc1c(C(O)C23N(S(=O)(=O)c4ccc(cc4)C)C2CCCC3)cccc1	PC-id_72958034	391.912	XCHJEHXACHKGEZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154957
C1C=C([C@H]2CC2([I-]1)[C@@H](N)S/C=C/CO)C(F)(F)F	PC-id_148099899	391.98	GDUNABJWUNAQNA-NCOOPETPSA-N	00100000000011000000010000000000000000000000000000000000	22-01-154958
C1C2C1(CN(C2)C(=O)C3=CSC(=N3)C4=C(C=C(C=C4)Cl)Cl)CNC#N	PC-id_165039903	392.027	NYKWHSVGRXGPNE-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-154959
Brc1ccc(C(=O)N2CC3CC3C2)c(I)c1	EMOLS-id_337730204,MCULE-1186488046	392.03	GDOKTZSPEACFHK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-154960
CCOC(=O)C1CCC2C1(C2(C(=O)OCC)F)OS(=O)(=O)C(F)(F)F	PC-id_163682989	392.055	JMJOZRONINNOPS-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-154961
COc1cc(F)c(cc1C(C1C2C1CCCC2)Br)Br	PC-id_113811250	392.101	ZPTHKJPDRGJSIS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154962
CC1=C(N=C(C=C1)Br)NC(=O)C2CC3(CC3N2)CN4CCCCC4	PC-id_153456824	392.121	ICJORPADNMASRD-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-154963
CC(=O)NC1[C@H]2C(C2(C(O[C@H]1Oc1ccc(cc1)NC(=O)C=C)CO)O)OC	PC-id_163606843	392.158	HCNLICLQYYMWIO-CFXGTZEOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-154964
Clc1cc(C(=O)OC23C(C2(F)C(=O)O)CCC3(N)C(=O)O)ccc1Cl	PC-id_77174966	392.163	WXDUIVASVLJTBB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154965
Clc1cc(C(=O)O[C@@]23[C@H]([C@]2(F)C(=O)O)CC[C@]3(N)C(=O)O)ccc1Cl	PC-id_66709710,SCHEMBL515705	392.163	WXDUIVASVLJTBB-WHLNNUNGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154966
Clc1cc(C(=O)OC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)ccc1Cl	PC-id_23113111	392.163	WBFGYBIAPMYKEU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154967
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Clc1cc(CO[C@H]2[C@](N)([C@H]3[C@H]([C@]3(F)C(=O)OC)C2)C(=O)O)ccc1Cl	SCHEMBL232371,PC-id_11486152	392.206	ABTLRAWGNDRHMW-RKSWXVINSA-N	00100010000010110000010000000000000000000000000000000000	22-01-154989
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CC(C)c1ccccc1Nc1ccc(C(=O)N[C@]2(C(=O)O)CCC[C@@H]3C[C@H]23)cc1	ZINC22_2325862404	392.491	SQQBEZWNFPGETP-VWQFJMCTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155127
CC(C)c1ccccc1Nc1ccc(C(=O)N[C@]2(C(=O)O)CCC[C@H]3C[C@@H]23)cc1	ZINC22_2325862405	392.491	SQQBEZWNFPGETP-WPSZSDGUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155128
CC(C)c1ccccc1Nc1ccc(C(=O)N[C@]2(C(=O)O)CCC[C@@H]3C[C@@H]23)cc1	ZINC22_2325862406	392.491	SQQBEZWNFPGETP-WSCWJOSJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155129
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NC(=O)C1N(CC2C1(C2)C(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1	PC-id_141577653	392.491	HBPYIKQFOJIABH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155132
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CC1OC(C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111161852	392.512	CELJZMRCEHEKHP-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155141
CCc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111162344	392.512	KILPOCSHVLUAIB-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155142
C/C=Cc1cc(ccc1C)S(=O)(=O)NC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_143330931	392.512	IVBRSKREMYFIDK-SREVYHEPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155143
CCCNc1c(F)cccc1C(=C)N=C(/C(=C(NC1c2c1cccc2)/CC)/C)N	PC-id_142127996	392.512	TWGDTJHQGLTKPJ-QNGOZBTKSA-N	00100000000000110000010000000000000000000000000000000000	22-01-155144
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CN1CCN(CC1)S(=O)(=O)c1ccccc1CNC(=O)NC12CCCC1C2	MCULE-2729127001,EMOLS-id_316891621	392.516	QIGZBNHXEJTROT-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155153
CN1CCN(CC1)S(=O)(=O)c1cccc(c1)NC(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111856825	392.516	FLDMLTVZTCRBHO-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155154
CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N[C@]23CCC[C@@H]2C3)CC1	ZINC22_664149563	392.516	QIGZBNHXEJTROT-APWZRJJASA-N	00100010000010110001010000000000000000000000000000000000	22-01-155155
CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N[C@]23CCC[C@H]2C3)CC1	ZINC22_664149564	392.516	QIGZBNHXEJTROT-LPHOPBHVSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155156
CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N[C@@]23CCC[C@H]2C3)CC1	ZINC22_664149565	392.516	QIGZBNHXEJTROT-QFBILLFUSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155157
CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N[C@@]23CCC[C@@H]2C3)CC1	ZINC22_664149566	392.516	QIGZBNHXEJTROT-VQIMIIECSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155158
Cc1c(c(nc(n1)NCCNC(=O)C)NC1(CCC2C1(C2O)C)C)C(=S)N	PC-id_90818765	392.519	WRPNVWHZIZVTNC-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-155159
CC1CC(CCO1)COC(=O)CCCCC(=O)C1CC1CC1CCC2C(C1)O2	PC-id_88918195	392.529	GWUFWDSHXPPQJN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155160
CC1OCCC(C1)COC(=O)CCCCC(=O)[C@@H]1CC1CC1CCC2C(C1)O2	SCHEMBL12460137	392.529	GWUFWDSHXPPQJN-WYENIAFQSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155161
CCCCCC(C=CC1C(CC2C1O2)CC=CCCCC(=O)O)OC(=O)CC	PC-id_88830775	392.529	NGUIUNKMWIADDL-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-155162
CCCCC[C@H](OC(=O)CC)/C=C/[C@@H]1[C@@H](C/C=CCCCC(=O)O)CC2C1O2	SCHEMBL11773838	392.529	NGUIUNKMWIADDL-QRNCXPQRSA-N	00100010000000000000010000000000000000000000000000000000	22-01-155163
OC1(C2C(C2)C(CCC(=CC(OC(=O)C)C1)C)(CCC(C(=C)C)C(=O)O)C)C	PC-id_72772474	392.529	YMLGQZTWZXLOBD-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-155164
O[C@@]1([C@@H]2[C@H](C2)[C@](CC/C(=C/[C@H](OC(=O)C)C1)/C)(CCC(C(=C)C)C(=O)O)C)C	PC-id_11257868	392.529	YMLGQZTWZXLOBD-POBWGMTPSA-N	00100000000000000110010000000000000000000000000000000000	22-01-155165
O=C(C1CCC2(C(C1)O2)C)OCC1OC1(C)CC1CC1(C)CCC1OC1(C)C	PC-id_143374602	392.529	BWRKNMZQWDCJNG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155166
O=C(OCC1CC2CC2CC1C)CCCCC(=O)OCC1CC2OC2CC1C	PC-id_118098454,SCHEMBL16744321	392.529	OIQLCELABGGFJE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155167
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=C1C(=O)CC2C(C1=O)O2)C)C	PC-id_88398774	392.53	RAGWIQIPCTYZON-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-155168
C/C(=CC=C
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CCCC(C(=O)C(=O)C)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C)C(C)(C)C	PC-id_90455610	392.532	CBIRYIWOXKBZTH-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-155170
CCC[C@@H](C(=O)C(=O)C)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)C	SCHEMBL16093492	392.532	CBIRYIWOXKBZTH-VFTHGPRRSA-N	00100010000000000000010000000000000000000000000000000000	22-01-155171
CCC(C(c1ccccc1)(C(=O)NCC1C2C1CN(C2)Cc1ccccc1)O)C	SCHEMBL4618827,PC-id_16039542	392.534	IYOUCFNHKUAEGI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155172
CN(C(=O)[C@@](c1ccccc1)(C(C)C)O)C[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	SCHEMBL4142342	392.534	RJPDMGHVAWCVQY-UCKMRUJXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155173
O=C(N(CC1C2C1CN(C2)Cc1ccccc1)C)C(O)(C(C)C)c1ccccc1	PC-id_11486180	392.534	RJPDMGHVAWCVQY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155174
O=C(N(CC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1)C)[C@](O)(C(C)C)c1ccccc1	PC-id_68929320	392.534	RJPDMGHVAWCVQY-UNPSAXADSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155175
N1(CC2C(C2CCC(c2ccccc2)(c2ccccc2)C#N)C1)Cc1ccccc1	SCHEMBL4757577,PC-id_25118957	392.535	BRWQQDKCWUOQOK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155176
c1ccc(cc1)CN1CC2C(C1)C2COCCN1CCN(CC1)c1ccccn1	SCHEMBL5794485,PC-id_11646842	392.537	WBWOBRUMQPWSSL-UHFFFAOYSA-N	00100010000010111001110000000000000000000000000000000000	22-01-155177
Brc1c(C(Cl)C2C3C2CCCC3)cc(Br)c(c1)C	PC-id_81636818	392.556	DLJZYJALTDVYOF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155178
CC1CCC(CC1C)(C)C(=C)OCC(COC(=O)C1(C)CCC2C(C1)O2)(C)C	PC-id_143260689	392.572	UDZJCMBBUXLMCC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155179
CCCCCCCCCCC1(C2C(O2)(CC1=O)C)CC=CCCCC(=O)OC	PC-id_88384038	392.572	BRAJQGCSECHCGE-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-155180
CCCCCCCCCC[C@]1(CC=CCCCC(=O)OC)C(=O)C[C@]2([C@H]1O2)C	SCHEMBL8906596	392.572	BRAJQGCSECHCGE-SGNDLWITSA-N	00100010000000000000010000000000000000000000000000000000	22-01-155181
CCOC(=O)[C@@H]1[C@@H]2[C@@]1(CCCCCCOCC1CCOCC1)CC(=C(C2)C)C	PC-id_140932177	392.572	ZFQFKROFKPKNJP-AOHZBQACSA-N	00100000000011000000010000000000000000000000000000000000	22-01-155182
COCC(CCC(=O)C1CCC2C(C1)C2)(CCC(=O)C1CCOC(C1)C)CC	PC-id_143239790	392.572	RPNNYLIDMXVOKV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155183
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CC[Si](CC)(CC)O[C@@H]1C[C@@]2([C@@](O2)(C(C1)(C)C)C#C/C(=C/C(=O)OC)/C)C	PC-id_134884848	392.604	WVOKEDWKSSRRAM-HKCAFAKPSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155185
CO[Si](C(CC(C1CCC2C(C1)O2)CC(c1ccccc1)C)C)(OC)OC	PC-id_141684941	392.604	SDSLYLCJEVOXEE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155186
CC1=CC[C@@H]2[C@@]([C@@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(C)O2	PC-id_101391097	392.606	SRBWQRDFCSABDE-OYRHQHFDSA-N	00100000000011110000010000000000000000000000000000000000	22-01-155187
[Si](OC1C(C2C(C2)(C1)C=O)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72983681	392.606	SLIMTKGXGIJOKA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155188
[Si](OCC1C2(OC2CC=C1C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_73069802	392.606	SRBWQRDFCSABDE-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-155189
[Si](OC[C@@H]1[C@]2(O[C@H]2CC=C1C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11710907	392.606	SRBWQRDFCSABDE-SONWIMMPSA-N	00100000000011110000010000000000000000000000000000000000	22-01-155190
[Si](O[C@@H]1[C@H]([C@H]2[C@](C2)(C1)C=O)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11494886	392.606	SLIMTKGXGIJOKA-KELBGUDLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155191
[Si](O[C@H]1[C@H]([C@H]2[C@](C2)(C1)C=O)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11545632	392.606	SLIMTKGXGIJOKA-LYGMZBLVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155192
[Si](O[C@H]1[C@H]([C@@H]2[C@@](C2)(C1)C=O)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11567349	392.606	SLIMTKGXGIJOKA-KBOSCXGNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155193
[Si](O[C@H]1[C@@H]([C@H]2[C@](C2)(C1)C=O)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11581942	392.606	SLIMTKGXGIJOKA-STAYPELNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155194
[Si](O[C@@H]1[C@H]([C@@H]2[C@@](C2)(C1)C=O)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11581943	392.606	SLIMTKGXGIJOKA-AANQFLQQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155195
[Si](O[C@@H]1[C@@H]([C@H]2[C@](C2)(C1)C=O)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11610851	392.606	SLIMTKGXGIJOKA-KNAFXUBQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155196
[Si](O[C@@H]1[C@@H]([C@@H]2[C@@](C2)(C1)C=O)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11654038	392.606	SLIMTKGXGIJOKA-AHCIIZGASA-N	00100010000010110000010000000000000000000000000000000000	22-01-155197
[Si](O[C@H]1[C@@H]([C@@H]2[C@@](C2)(C1)C=O)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11718129	392.606	SLIMTKGXGIJOKA-WBJOIXBTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155198
CCCCCCCCCCCCCCC1C2C1C2(CC)C(=O)C(C(=O)O)CC	PC-id_140325914	392.615	AZBWCKCABCYDJP-UHFFFAOYSA-N	00101000000000000000010000000000000000000000000000000000	22-01-155199
CCCCCCCCCCCCCC=C1CCC(C2C1O2)(C)CCCC(=O)O	PC-id_88599734	392.615	KYCAGDOPZTZDEA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155200
CCCCCCCCCCCCCC=C1CC[C@@](C2[C@@H]1O2)(C)CCCC(=O)O	SCHEMBL10359748	392.615	KYCAGDOPZTZDEA-VSPQQOHGSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155201
CCCCCCCCCCCCc1c(ccc2c1S2(=O)=O)CCCCCC	SCHEMBL14800152,PC-id_89456377	392.638	MTNJJSUMQBDMFT-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-155202
CCCCCCCCCCCCCCCCCCc1c2c(ccc1)S2(=O)=O	SCHEMBL14799943,PC-id_89456278	392.638	GCZIGPNEGDZNQX-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-155203
C[C@@H]1CC[C@H]2[C@@H]([C@H]1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C2(C)C	PC-id_101201818	392.649	VESHFYBNGLQXMM-DLTYFMDKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155204
[Si](OC1C2C(C2CCC1C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85395173	392.649	VESHFYBNGLQXMM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155205
[Si](O[C@H]1[C@@H]2C([C@@H]2CC[C@@H]1C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11090477	392.649	VESHFYBNGLQXMM-GDKQOWJMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155206
CCCCC(C12CCCCCCCCCCCCCC1C2)C(=O)OC(C)(C)C	PC-id_101408441	392.658	PXOLAQKHYBSZRG-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-155207
CCCCCCCCCCCCCCCC(=O)OC12CC(C)CCC1C2(C)C	PC-id_140787206	392.658	FZNHYMOYWIZXRN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155208
CCCCCCCCCCCCCCCC(=O)OC1CC(C2C1(C2)C(C)C)C	PC-id_146021103	392.658	KBCIKKMDHIDVDD-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-155209
CCCC1=CC=C(CC1)CC1CCC(CC1)CCC1=CC2(CC2(CCC1)C=C)C	PC-id_90866144	392.66	QUQUAFNDJANALT-UHFFFAOYSA-N	00100000000011000110010000000000000000000000000000000000	22-01-155210
CC(C)(C)[Si](C)(C)OC1CC2C(C1C[Si](C)(C)c1ccccc1)(O2)CO	PC-id_86594455	392.68	RFCUHPLQQRPLLG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155211
OC[C@@]12O[C@@H]1C[C@@H]([C@H]2C[Si](c1ccccc1)(C)C)O[Si](C(C)(C)C)(C)C	SCHEMBL3910562	392.68	RFCUHPLQQRPLLG-HDAAZOAOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155212
OC[C@@]12O[C@@H]1C[C@@H]([C@@H]2C[Si](c1ccccc1)(C)C)O[Si](C(C)(C)C)(C)C	SCHEMBL3910567	392.68	RFCUHPLQQRPLLG-HUUJSLGLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155213
OC[C@@]12O[C@@H]1C[C@@H]([C@H]2C[SiH2]c1cccc(c1C)C)O[Si](C(C)(C)C)(C)C	SCHEMBL3910569	392.68	JRLGYUYHBSWFLA-FKPGQJDZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155214
Brc1cc(NC(=O)C2C3C2CCCC3)ccc1S(=O)(=O)Cl	PC-id_81610793	392.696	MKRSVKGAWUJWEV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155215
Brc1c(NC(=O)C2CC3C(C3)C2)cc(c(S(=O)(=O)Cl)c1)C	PC-id_82746012	392.696	XYBASJXSJLGMQM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155218
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1cccc(c1Br)Cl	EMOLS-id_112095680	392.696	VMQZGIABWBJUDQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155219
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1c(Cl)cccc1Br	EMOLS-id_112095743	392.696	JNGJZKPGUYTHPI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155220
C[SiH]1O[Si](C)(C)O[Si](O[Si](O1)(C)C)(C)C(C1CCC2C(C1)O2)C	SCHEMBL10050648	392.743	DFJAWYRKSGNYLY-UHFFFAOYSA-N	00100000000010000101010000000000000000000000000000000000	22-01-155221
C[Si](CC[Si](CCC1CCC2C(C1)O2)(C)C)(CCC1CCC2C(C1)C2)C	SCHEMBL12896091,PC-id_59344073	392.766	HPJOONKHVPYMGZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155222
C[Si](O[Si](C1CCC2C(C1)O2)(O[Si](C)(C)C)O[Si](C)(C)C)(C)C	SCHEMBL11072452,PC-id_20459168	392.786	KHRSOJCIKKAHHB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155223
C1C2C(C2(C(C1Nc1c(c(nc(n1)N)Cl)C=Cc1cc(ccc1)F)O)O)O	PC-id_91389759	392.812	ORIUOTJYSVZIQF-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155224
CN1N=C(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)c4cccc(Cl)c4F)[C@H]23)CC1=O	ZINC22_1875331167	392.812	SKYBNWIIHRAJCC-SSKCKEOISA-N	00100011000000110001010000000000000000000000000000000000	22-01-155225
ClC12OC1(C=C(OC)C(=C2OCOCCOC)OCOCCOC)C=C	PC-id_18359061,SCHEMBL7961474	392.829	OTDQELFOVMTNLX-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-155226
COCCOCOC1=CC2(C=C)OC2(C(=C1OCOCCOC)OC)Cl	SCHEMBL7963113	392.829	WSMXCQIRKDHJNF-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-155227
CN1CC2C(C1)C2CN(Cc1cc(c(cc1)F)Cl)C(=O)Oc1cn(cn1)C	SCHEMBL15967337,PC-id_90353657	392.855	FAQKGVYNOKNSCD-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155228
C1CCC(CC1)OCC(=O)NC12CC1(C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137399614,SCHEMBL20631265	392.876	INZJDPLGSLDHLV-UHFFFAOYSA-N	00101000000010110000010000000000000000000000000000000000	22-01-155229
CC1(CC1)COC(=O)N[C@H]1C[C@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137399050,SCHEMBL20630628	392.876	KVWKFGSXHATTDG-BACDZXNISA-N	00100010000010110000010000000000000000000000000000000000	22-01-155230
O=C(NC12CC1(C2)NC(=O)COC1CC(C1)(C)C)COc1ccc(cc1)Cl	PC-id_139517671,SCHEMBL21390228	392.876	XSPODXMHFHKRRE-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-155231
O=S(=O)(N[C@@]12CCCNC[C@H]1C2)c1ccc(Oc2ccc(Cl)cc2)cc1	ZINC22_2325829477	392.9	KUORFIZURNPWLE-AUUYWEPGSA-N	00100000000000110100010000000000000000000000000000000000	22-01-155232
O=S(=O)(N[C@@]12CCCNC[C@@H]1C2)c1ccc(Oc2ccc(Cl)cc2)cc1	ZINC22_2325829478	392.9	KUORFIZURNPWLE-IFXJQAMLSA-N	00100000000000110100010000000000000000000000000000000000	22-01-155233
O=S(=O)(N[C@]12CCCNC[C@H]1C2)c1ccc(Oc2ccc(Cl)cc2)cc1	ZINC22_2325829479	392.9	KUORFIZURNPWLE-KUHUBIRLSA-N	00100000000000110100010000000000000000000000000000000000	22-01-155234
O=S(=O)(N[C@]12CCCNC[C@@H]1C2)c1ccc(Oc2ccc(Cl)cc2)cc1	ZINC22_2325829480	392.9	KUORFIZURNPWLE-LIRRHRJNSA-N	00100000000000110100010000000000000000000000000000000000	22-01-155235
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NCl)C(=O)OCc1ccccc1)C	PC-id_88274007	392.92	NGYGMVZXSGTIIY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155236
CC(C)(C)CCC(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137400256,SCHEMBL20631961	392.92	WIHVAPSMNKVYAA-HIEASXQVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155237
Brc1cc(sc1Br)C(NCCC)C1C2C1CCC2	PC-id_81630260	393.18	LOUXEMFVFATIAN-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-155259
ClN[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)OCc1ccccc1)C2(C)C	SCHEMBL8281084	392.92	NGYGMVZXSGTIIY-LUKYLMHMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155238
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CN2CCN(c3ccncc3Cl)CC2)C1	ZINC22_1875265571	392.923	OYHGREDYVCKASI-FOIQADDNSA-N	00100010000010101001110000000000000000000000000000000000	22-01-155239
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CN2CCN(c3ccncc3Cl)CC2)C1	ZINC22_1875265572	392.923	OYHGREDYVCKASI-MGPUTAFESA-N	00100010000010101001110000000000000000000000000000000000	22-01-155240
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CN2CCN(c3ccncc3Cl)CC2)C1	ZINC22_1875265573	392.923	OYHGREDYVCKASI-QRWLVFNGSA-N	00100010000010101001110000000000000000000000000000000000	22-01-155241
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN2CCN(c3ccncc3Cl)CC2)C1	ZINC22_1875265574	392.923	OYHGREDYVCKASI-YWZLYKJASA-N	00100010000010101001110000000000000000000000000000000000	22-01-155242
Br[Si](CCC1CCC2C(C1)O2)(Br)Br	PC-id_140015929	392.986	JUVRDVBLQZVXOU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155243
Brc1sc(Br)cc1C(=O)CN1C(=O)C2C(C2)C1=O	PC-id_64836430	393.051	ZOMODKLGVWSVRQ-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-155244
Brc1c(C[N+]2(N3C2CCC3)C[N+](=O)[O-])cnc(Br)c1	PC-id_54047277	393.055	COQKHMSAMRBQCG-UHFFFAOYSA-N	00100010000000101001010000000000000000000000000000000000	22-01-155245
COC(=O)[C@]1([C@H]2C1[C@@]([C@@H](C2)OCC1=CC(=C(CC1)Cl)Cl)(C(=O)O)N)F	PC-id_163727569	393.055	KWWXHBYNEAOKII-DJKVALJASA-N	00100010000011000000010000000000000000000000000000000000	22-01-155246
CC1CCC(CC1)C[I-]C(=O)OCC1CCC2C(C1)O2	PC-id_163973518	393.093	DHHRYNVWBVKSSG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155247
C1CCC(C(C1)C(=O)OCC1CC2=CC2C(=O)O1)C(=O)OCC1CNC(=O)O1	PC-id_163855843	393.142	OYFAZKLNFRJEOE-UHFFFAOYSA-N	00110010000010000001010000000000000000000000000000000000	22-01-155248
C1CCC2CC2(OCC1)C(C3=CN=CC=C3)OC4=CC=CC=C4OC(F)(F)F	PC-id_146955285	393.155	AJMWYCUYZATATA-UHFFFAOYSA-N	00100000000000111100010000000000000000000000000000000000	22-01-155249
CNC(=O)C1=CC(=CC(=N1)CC2=CC=CC=C2)C(=O)NC3C4C3CN(C4)C(=O)[O-]	PC-id_153713994	393.157	SGPYNODFKSQAKL-UHFFFAOYSA-M	00100010000000111000010000000000000000000000000000000000	22-01-155250
C1C2C(C2C[N-]CC3=CC(=CC=C3)OC(F)(F)F)CN1CC4=CC=CC=C4F	PC-id_161953583	393.16	YMDAFVFZCXQOSQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155251
CC[C@H](C1[C@H]2[C@@H]1CC(C2)NC3=CC=CC=C3C#N)NC(=O)C4=CC=C(C=C4)Cl	PC-id_148782650	393.161	OKPKWTGQGIOSGU-ULGBUEHHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155252
CC[C@H](C1[C@H]2[C@H]1CC(C2)NC3=CC=CC=C3C#N)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517084	393.161	OKPKWTGQGIOSGU-AILNURRJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155253
C1C2C1(CN(C2)CCC3=C(C=C(C=C3)N4C=CC(=NC4=O)N)C(F)(F)F)CN	PC-id_154650444	393.178	XTJWEIFVMFBWDG-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-155254
C1CN(CC2(C1C2)N)CCC3=C(C=C(C=C3)N4C=CC(=NC4=O)N)C(F)(F)F	PC-id_154650253	393.178	HTBGAABWPBBQAT-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-155255
CC(CC1=C(C=C(C=C1)N2C=CC(=NC2=O)N)C(F)(F)F)N3C[C@H]4C(C3)C4N	PC-id_155006418	393.178	MXVYXRRVDHIEIU-MBGZCPPWSA-N	00100010000000110001110000000000000000000000000000000000	22-01-155256
CCCCC[P+](C1=CC=CC=C1)(C2=CC=C(C=C2)OCCF)C3=C4C=C4C=C3	PC-id_155063505	393.178	XUGRHHKWECHGPY-UHFFFAOYSA-N	00110010100000110000010000000000000000000000000000000000	22-01-155257
Brc1cc(sc1Br)C(NCC)C1C2C1CCCC2	PC-id_81631755	393.18	PINLYQAANAPGGP-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-155258
Brc1cc(sc1Br)C(NCCC)C1CC2C(C2)C1	PC-id_80533793	393.18	LXLSGDSLXUDHIA-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-155260
Brc1sc(Br)cc1C(NCC)C1C2C1CCCC2	PC-id_81624427	393.18	MAZSQGDKBFSCSY-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-155261
Brc1sc(Br)cc1C(NCCC)C1C2C1CCC2	PC-id_81631839	393.18	KGZVFCYWMRFZBZ-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-155262
Brc1sc(Br)cc1C(NCCC)C1CC2C(C2)C1	PC-id_80468668	393.18	ZJZVMCFFXIGFJT-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-155263
CC(COC(C)C1=CN=C(C=C1)N2C=CC(=N2)C(C)C3=CC4=C(N4N=O)C=C3)O	PC-id_155132503	393.18	ZGZXICPRNSXUHA-UHFFFAOYSA-N	00100000100000101001110000000000000000000000000000000000	22-01-155264
CC1CCCC[N+](C2C1C2)(C)C[I+][C@H](C)C(C)C(C)C	PC-id_164141123	393.188	AKVBLPLUJRBNDT-IEBNQRBNSA-N	00100000000000000100010000000000000000000000000000000000	22-01-155265
CC1=NN(C(=C1)CN2CC3C(C2)C3C[N-]CC4=CC(=CC=C4)OC(F)(F)F)C	PC-id_162182440	393.191	ZPFFHSDDWQUQOU-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155266
CCC(=O)C1=CC(=CC(=N1)C(C2=CC=CC=C2)OC)C(=O)CC3[C@H]4[C@@H]3CC(C4)O	PC-id_161831966	393.194	CSIBOWQMAKRXCI-AKHIVABDSA-N	00100010000010111000010000000000000000000000000000000000	22-01-155267
CCC(=O)C1=CC(=CC(=N1)[C@H](C2=CC=CC=C2)OC)C(=O)CC3[C@H]4[C@@H]3CC(C4)O	PC-id_161831963	393.194	CSIBOWQMAKRXCI-NFMLMTMISA-N	00100010000010111000010000000000000000000000000000000000	22-01-155268
CCC(=O)C1=CC(=CC(=N1)[C@@H](C2=CC=CC=C2)OC)C(=O)CC3[C@H]4[C@@H]3CC(C4)O	PC-id_161831964	393.194	CSIBOWQMAKRXCI-KYBWHHARSA-N	00100010000010111000010000000000000000000000000000000000	22-01-155269
Brc1cc(NC(=O)C2N(C3C(C3)C2)C(=O)O)cc(c1)c1n[nH]nn1	PC-id_77462942	393.195	LIANFYGLDCONCJ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155270
Brc1cc(NC(=O)[C@@H]2C[C@@H]3[C@H](N2C(=O)O)C3)cc(c1)c1[nH]nnn1	SCHEMBL12481372,PC-id_68284587	393.195	LIANFYGLDCONCJ-PFZYVWIYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155271
CCC1=CC(=CC(=C1)NC(=O)C2CCC(CC2)C)C(=O)N3[C@@H](C[C@H]4[C@@H]3[C@H]4C)C#N	PC-id_149370705	393.242	YJSZEPLMQZQRMB-GWRACPDVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155272
C1CC2C(O2)CC1COCC(NC3CCC4C(C3)O4)OCC5CCC6C(C5)O6	PC-id_161317481	393.252	VJRPKJWQKJAINT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155273
CCCCCCCCC1CCCCC1(C)OC(=O)C2CC3C(O3)CC2C(=O)[O-]	PC-id_154265322	393.265	GQXZRKZUFVSHEA-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-155274
C[C@@H](CCC(CN)C1=CC=C(C2C1=C2)COC)C(C)CNC1=CCC(C=C1)C#N	PC-id_164138819	393.278	YUJVJNOUVYKSHO-QZGUCNERSA-N	00110000000011000000010000000000000000000000000000000000	22-01-155275
NCOBCC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C(=O)O)CCCCC=C)C2(C)C	SCHEMBL12856115	393.285	YYFIQTIPFDSDCS-SDADXPQNSA-N	00100010000000000000010000000000000000000000000000000000	22-01-155276
CC(COC(C)(C)C)OCC(C)(C)CNC(=O)OCC1[C@H]2[C@@H]1CCC#CCC2	PC-id_155069969	393.288	WQCAVOUJTAKEQO-REPIYIIUSA-N	00100000000000000110010000000000000000000000000000000000	22-01-155277
O=C(N1CC2C(C1)C2(C)C)Nc1ccc(nn1)c1ccc(s1)Br	EMOLS-id_100875513	393.301	JROQRNMDBQHNGK-UHFFFAOYSA-N	00100010100100100001110000000000000000000000000000000000	22-01-155278
ClC1(Cl)C2C1OC(C(OCc1ccccc1)C2OCc1ccccc1)C	PC-id_85342326	393.304	XIERLSADRAHYSM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155279
ClC1(Cl)[C@@H]2[C@H]1O[C@H]([C@H](OCc1ccccc1)[C@H]2OCc1ccccc1)C	PC-id_10949235	393.304	XIERLSADRAHYSM-QOOKETHRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155280
CCn1cnc(c1)C(=O)N(Cc1cccc(c1Cl)Cl)CC1C2C1CNC2	PC-id_141624528	393.31	XFSHJCDCAAYXEA-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155281
Clc1cc(CN(CC2C3C2CN(C3)C)C(=O)c2ncn(c2)C)ccc1Cl	SCHEMBL710028,PC-id_66775557	393.31	AJMJMBXYTPETHG-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155282
Clc1cc(CN(CC2C3C2CN(C3)C)C(=O)c2ncn(c2)C)cc(Cl)c1	SCHEMBL711680,PC-id_66775989	393.31	LCAJNYRHQIMAAS-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155283
Clc1c(CN(CC2C3C2CN(C3)C)C(=O)c2ncn(c2)C)ccc(Cl)c1	PC-id_11952210,SCHEMBL711212	393.31	YKPFTOAVQHYFPA-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155284
O=C(N1CC2C(C1)C2(C)C)CNS(=O)(=O)c1ccc(s1)Br	EMOLS-id_111131815	393.32	ZXYBMGDDYFUCGG-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-155285
Cc1c(nc(cc1)Br)NC(=O)[C@@H]1CC2(CC2N1)CN1CCCCC1	SCHEMBL20488073,PC-id_135318242	393.321	ICJORPADNMASRD-VNSJNIRKSA-N	00100010000010101000010000000000000000000000000000000000	22-01-155286
OCC(OC12OC(CO)OC(=O)CN1C2O)OCC(COC(=O)C(=C)C)O	PC-id_145860131	393.343	UUSBUTGMCCNWOF-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-155287
O1C2C1(OC(NC(=O)c1ccccc1)C(OC(=O)C)C2OC(=O)C)C(=O)OC	PC-id_85336324	393.345	ZWKQZVCFULAAIO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155288
O1[C@@H]2[C@]1(O[C@@H](NC(=O)c1ccccc1)[C@H](OC(=O)C)[C@H]2OC(=O)C)C(=O)OC	PC-id_10178656	393.345	ZWKQZVCFULAAIO-CNKGYHKASA-N	00100000000010110000010000000000000000000000000000000000	22-01-155289
OC(=O)[C@@H]1[C@H]2[C@]1(C(=O)O)C(C[C@]2(N)C(=O)O)(N)C(c1ccccc1[N+](=O)[O-])C	PC-id_142747754	393.348	FRMWEJAFXSGLEN-OAASLSSASA-N	00100010000010110000010000000000000000000000000000000000	22-01-155290
OC(=O)[C@]1(N)[C@H](SCc2cccc(c2)C(F)(F)F)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	SCHEMBL5092398,PC-id_11269393	393.353	XZRRGPPXWYQEBM-ZNLHFFCSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155291
S(C1C(N)(C2C(C2(F)C(=O)O)C1)C(=O)O)Cc1cc(ccc1)C(F)(F)F	PC-id_72777266	393.353	XZRRGPPXWYQEBM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155292
O=C(C1C2C1CCCC2)Nc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)O	PC-id_119227098	393.36	KCXIXLSNHKGVTP-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-155293
O=C(C1C2C1CCCC2)Nc1cccc(c1)n1ncc(c1C(F)(F)F)C(=O)O	PC-id_119227156	393.36	OSEILBOQBWRAEJ-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-155294
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OC(=O)C1N2C1CC(CC2)C(=O)NCCNCOc1cc[n+](cc1)CC(=O)O	PC-id_59916323	393.414	YZQLICKYQIVVDE-UHFFFAOYSA-O	00100000000010101000010000000000000000000000000000000000	22-01-155311
C1CC2C(C2COCCOCCOCC(=O)ON2C(=O)CCC2=O)CCC#C1	PC-id_89679090,SCHEMBL15096735	393.431	AWVJBWGKCYXZSY-UHFFFAOYSA-N	00100010000000000110010000000000000000000000000000000000	22-01-155312
C1COC(=O)N2C1C2(CCCc1ccccc1)NNC(=O)c1ccccc1C=O	PC-id_89425917	393.436	IELXHAVPROANKA-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-155313
CC1(C2(CC2CO1)NC(=O)Nc1ccc(cc1)Oc1c(cc(cc1)C#N)OC)C	EMOLS-id_316971039,PC-id_136554950,MCULE-7118681292	393.436	RZLBLCPJACSFCE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155314
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)cc1	ZINC22_528955903	393.436	RZLBLCPJACSFCE-IVZQSRNASA-N	00100010000000110000010000000000000000000000000000000000	22-01-155315
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@]23C[C@H]2COC3(C)C)cc1	ZINC22_528955904	393.436	RZLBLCPJACSFCE-NYHFZMIOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155316
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O=Cc1ccccc1C(=O)NN[C@@]1(CCCc2ccccc2)N2[C@H]1CCOC2=O	SCHEMBL14754148	393.436	IELXHAVPROANKA-HKJCUSPOSA-N	00100000000010110001010000000000000000000000000000000000	22-01-155319
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Cc1nc(co1)C=C(C1CC2C(O2)CCCCCCC(=O)CCCC(=O)O1)F	PC-id_87925893,SCHEMBL6013215	393.449	LYUJEHQZBMSJLJ-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-155321
FC1(C2C1CC(OCCCc1ccccc1)C2(N)C(=O)OCC)C(=O)OCC	PC-id_72777267	393.449	LGFSZQSBUNXPHQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155322
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Fc1ccc(cc1)C(=O)NC1[C@@H]2[C@H]1CN(C2)C(=O)C1CCN(C1)c1ccccc1	PC-id_146146295	393.454	OZVABSSPTZMMET-SHYIKFMPSA-N	00100010000000110000110000000000000000000000000000000000	22-01-155324
O=C(N[C@H]1[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccccc4)C3)C[C@H]12)c1ccc(F)cc1	ZINC22_1875325557	393.454	OZVABSSPTZMMET-DBOLQNLKSA-N	00100010000000110000110000000000000000000000000000000000	22-01-155325
O=C(N[C@H]1[C@@H]2CN(C(=O)[C@H]3CCN(c4ccccc4)C3)C[C@H]12)c1ccc(F)cc1	ZINC22_1875325558	393.454	OZVABSSPTZMMET-VRXWPRPYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-155326
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FCc1cc(ccc1F)NC(=O)N(C1CCC2C(C1)C2)CCN1CCC(C1)O	PC-id_143186231	393.471	UBLGNQLHPITSDW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155328
Fc1cc(OCC2CC3CC3C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1	PC-id_91809385,SCHEMBL16448521,BindingDB_PC-id_91809385,BindingDB-id_281992	393.472	FWELSPUFIZEVIM-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-155329
C=CCN1C(=O)C2CC2C(C1COCc1ccccc1)(O)OCc1ccccc1	SCHEMBL19575289	393.475	ZVDQUSWZFQZUAG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155330
CSCC[C@@H](C(=O)N[C@]1(CS(=O)(=O)[C@@H]2[C@H]1[C@H]2COC=O)C(=O)OC)C	SCHEMBL1101450,PC-id_58403683	393.476	ROXIWNCUKIPFIZ-AATHHKPASA-N	00100010000010000000010000000000000000000000000000000000	22-01-155331
S1(=O)(=O)C2C(C2COC=O)C(NC(=O)C(CCSC)C)(C1)C(=O)OC	PC-id_76777654	393.476	ROXIWNCUKIPFIZ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-155332
SCC(=O)CCCCC(=O)N1CCN(CC1)CC(=O)N1c2c1cccc2F	PC-id_140512872	393.476	AZJOKSXYDSWPCV-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-155333
O=C(N1C2C(C2)CC1C#N)C(NC(=O)OC(C)(C)C)C1(CCCC1)C(O)CO	PC-id_72975774	393.477	PXYSVJQBKKDLOW-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-155334
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O=C(N1[C@@H]2[C@@H](C2)C[C@H]1C#N)[C@@H](NC(=O)OC(C)(C)C)C1(CCCC1)C(O)CO	PC-id_11474869	393.477	PXYSVJQBKKDLOW-RAYWJXSESA-N	00100010000000000000010000000000000000000000000000000000	22-01-155336
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CCCCC(=O)[C@@]12CN(C[C@@]1(C2)C(=O)OCC)S(=O)(=O)c1ccc(cc1)C	PC-id_102392173	393.497	LRJNOQKQNNMUDS-UXHICEINSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155340
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Cc1c(c(nc(n1)NCCOC(=O)C)NC1(CCC2C1(C2O)C)C)C(=S)N	PC-id_90925766	393.504	QBFKCEQIRAXBPS-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-155344
CC(C)(CCOC(C)(C)CCC(=O)O)NC(=O)OCC1[C@H]2[C@@H]1CCC#CCC2	PC-id_135198791	393.517	BIGHWXTVRXYSKP-JWTNVVGKSA-N	00100000000000000110010000000000000000000000000000000000	22-01-155345
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CCC(CC1C2C(O2)CN1C)OC(=O)C(c1cccs1)(c1cccs1)O	SCHEMBL15186153,PC-id_89749889	393.52	WNEGMUNDSYBZDO-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-155347
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[C@@H]12[C@](C#N)(N(Cc3ccccc3)Cc3ccccc3)[C@@H]1CN(Cc1ccccc1)C2	EMOLS-id_49833230,MCULE-4978832659,ZINC22_263617585	393.523	OPFXRNKNESEOCU-LGKQTMLJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155349
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[Si](OC1OC(C2N(C12)C(=O)OCc1ccccc1)COC)(C(C)(C)C)(C)C	PC-id_85088293	393.549	RSJCMHVZHAPLQE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155354
[Si](O[C@@H]1O[C@@H]([C@@H]2N([C@H]12)C(=O)OCc1ccccc1)COC)(C(C)(C)C)(C)C	PC-id_10000675	393.549	RSJCMHVZHAPLQE-OYQSTEMFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155355
[Si](O[C@H]1O[C@@H]([C@@H]2N([C@H]12)C(=O)OCc1ccccc1)COC)(C(C)(C)C)(C)C	PC-id_10318439	393.549	RSJCMHVZHAPLQE-DXPSHJMBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155356
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[Si](OCC12OC1C(N=[N+]=[N-])CC2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_15931248	393.554	NZGZUZDIKPRCPD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155361
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[Si](OC[C@]12O[C@H]1[C@H](N=[N+]=[N-])CC2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10408286	393.554	NZGZUZDIKPRCPD-URVUXULASA-N	00100010000000110000010000000000000000000000000000000000	22-01-155363
[Si](OC[C@@]1(N=[N+]=[N-])[C@@H]2O[C@@H]2CC1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10091988	393.554	ATQIKZIXVRILKY-KCZVDYSFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155364
[Si](OC[C@@]1(N=[N+]=[N-])[C@H]2O[C@H]2CC1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10091989	393.554	ATQIKZIXVRILKY-JAXLGGSGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155365
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S(/N=C
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CC1CC(CC2(CC2C1)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)C	PC-id_90071092,SCHEMBL15606880	394.355	KWFZDGVRUNGDFU-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-155457
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Cc1cc(n[nH]1)CN1CC2C(C1)C2CNC(=O)c1cc(ccc1)OC(F)(F)F	PC-id_90353342,SCHEMBL15967020	394.391	MHRLLYLQRCTGQA-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155459
CC(c1c[nH]nc1)N1CC2C(C1)C2CNC(=O)c1cc(ccc1)OC(F)(F)F	PC-id_90353556,SCHEMBL15967234	394.391	AVNOUXUYVCJNQB-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155460
CC(c1ncc[nH]1)N1CC2C(C1)C2CNC(=O)c1cc(ccc1)OC(F)(F)F	PC-id_90353289,SCHEMBL15966964	394.391	WTSKFLKSZMAXSI-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155461
BrC(C1CC2C(C2)C1)c1c(OC)c(Br)cc(Cl)c1	PC-id_80470376	394.529	KWSDYROUGKAUET-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155641
Cn1cc(nc1)OC(=O)N(CC1C2C1CNC2)Cc1cc(ccc1)C(F)(F)F	PC-id_90353458,SCHEMBL15967281	394.391	CLVYPPBXBGEWMQ-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155462
Cn1cc(nc1)OC(=O)N(CC1C2C1CNC2)Cc1ccccc1C(F)(F)F	SCHEMBL15967296,PC-id_90353614	394.391	ASIMFMVRYKORIH-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155463
Cn1cnc(c1)C(=O)N(Cc1ccccc1OC(F)(F)F)CC1C2C1CNC2	PC-id_69665292,SCHEMBL6103491	394.391	IXNFQIVSDQKFAF-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155464
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1[C@@H]2[C@H]1CNC2	PC-id_45267807,BindingDB_PC-id_45267807	394.391	LAXUUXLIBVHUAY-XYPWUTKMSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155465
Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)C[C@@H]2[C@H]3CNC[C@@H]23)c1	CHEMBL564650	394.391	LAXUUXLIBVHUAY-ZSHCYNCHSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155466
Fc1c(C[C@@H](NC(=O)C(N)C)CC(=O)N2C3C(C3)CC2C#N)cc(F)c(F)c1	PC-id_56654032	394.391	OUDNRNAKHXDGJW-XHWHANBVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155467
Fc1c(CC(NC(=O)C(N)C)CC(=O)N2C3C(C3)CC2C#N)cc(F)c(F)c1	PC-id_76387904	394.391	OUDNRNAKHXDGJW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155468
FC(F)(F)Oc1cc(CN(CC2C3C2CNC3)C(=O)c2ncn(c2)C)ccc1	PC-id_11844911	394.391	LAXUUXLIBVHUAY-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155469
FC(F)(F)Oc1cc(C(=O)NCC2C3C2CN(C3)Cc2nc[nH]c2C)ccc1	PC-id_69469630,SCHEMBL5509537	394.391	PCVSCEJKQKQLHC-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155470
[O-][P+](Oc1ccccc1)(OCC1CCC2C(C1)O2)OCC1CCC2C(C1)O2	PC-id_102051891	394.399	SRZNMXYIMJVNSM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155471
C1C2C(C2CNCc2cc(ccc2)OC(F)(F)F)CN1Cc1ccccc1F	PC-id_90353532,SCHEMBL15967210	394.406	DGCNCHCNWAKBSM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155472
C1C2C(C2CNCc2cc(ccc2)OC(F)(F)F)CN1Cc1cc(ccc1)F	SCHEMBL15967105,PC-id_90353426	394.406	HAMUCPMQPSWAEP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155473
Fc1ccc(cc1)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F	SCHEMBL5514659,PC-id_69471615	394.406	NNTJTNKZHLJPNT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155474
COc1ccc(N2C[C@H](C(=O)N3CC[C@@]4(C)[C@@H](C3)C4(F)F)CC2=O)cc1OC	ZINC22_1875255900	394.412	FRCQVPQYNDVTSX-FXHACXQTSA-N	00100010000010110000110000000000000000000000000000000000	22-01-155475
COc1ccc(N2C[C@H](C(=O)N3CC[C@@]4(C)[C@H](C3)C4(F)F)CC2=O)cc1OC	ZINC22_1875255901	394.412	FRCQVPQYNDVTSX-GFJSAUFNSA-N	00100010000010110000110000000000000000000000000000000000	22-01-155476
COc1ccc(N2C[C@H](C(=O)N3CC[C@]4(C)[C@H](C3)C4(F)F)CC2=O)cc1OC	ZINC22_1875255902	394.412	FRCQVPQYNDVTSX-RNRVQEDPSA-N	00100010000010110000110000000000000000000000000000000000	22-01-155477
COc1ccc(N2C[C@H](C(=O)N3CC[C@]4(C)[C@@H](C3)C4(F)F)CC2=O)cc1OC	ZINC22_1875255903	394.412	FRCQVPQYNDVTSX-SMNXXWJPSA-N	00100010000010110000110000000000000000000000000000000000	22-01-155478
O=C1CCC2(C(C1)O2)COC(=O)CCCCC(=O)OCC12CCC(=O)CC1O2	PC-id_145840971	394.416	KBGHRRZUTYACGY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155479
O(C1C2(C(C2)C(C1(OC(=O)c1ccccc1)C)C)C(=O)O)C(=O)c1ccccc1	PC-id_59796186,SCHEMBL12300906	394.417	MYFSBHFQQSVULJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155480
C=CCOC(=O)N[C@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)OCC=C)C(=O)NCC(=O)OCC	PC-id_11292336,SCHEMBL6694875	394.419	MVDWOPQNACLCPC-XPVILTJLSA-N	00100010000010000000010000000000000000000000000000000000	22-01-155481
C=CCOC(=O)N[C@]1(CC[C@H]2[C@H]1[C@H]2C(=O)OCC=C)C(=O)NCC(=O)OCC	PC-id_69869038,SCHEMBL6694873	394.419	MVDWOPQNACLCPC-MOMAJJCNSA-N	00100010000010000000010000000000000000000000000000000000	22-01-155482
C=CCOC(=O)N[C@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)OCC=C)C(=O)N(C(=O)OCC)C	PC-id_69869035,SCHEMBL6694869	394.419	SQEUDKBBAFQXLF-MNUAXYBXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-155483
CCOC(=O)N(C)C(=O)C1(CCC2C1C2C(=O)OCC=C)NC(=O)OCC=C	PC-id_90853905	394.419	SQEUDKBBAFQXLF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-155484
O=C(C1C2C1CCC2(NC(=O)OCC=C)C(=O)NCC(=O)OCC)COC=C	PC-id_72651402	394.419	YQPDQLIFQRZFQL-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-155485
O=C([C@@H]1[C@@H]2[C@H]1CC[C@@]2(NC(=O)OCC=C)C(=O)NCC(=O)OCC)COC=C	PC-id_60112428	394.419	YQPDQLIFQRZFQL-BVNXPQQUSA-N	00100010000010000000010000000000000000000000000000000000	22-01-155486
O(C(=O)C1C2C1CCC2(NC(=O)OCC=C)C(=O)NCC(=O)OCC)CC=C	PC-id_72786719	394.419	MVDWOPQNACLCPC-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-155487
COc1ccc(cc1OC)CCN1C(=O)C2C(/C/1=C/c1ccc(cc1)[N+](=O)[O-])C2	PC-id_102447636	394.42	YWORZWUYZHYZKQ-ODLFYWEKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155488
BrC1C2N(C2C=CC1O[Si](C(C)(C)C)(C)C)Cc1ccccc1	PC-id_85217135	394.421	CLAVCVHWWFAYMW-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-155489
Br[C@H]1[C@@H]2N([C@@H]2C=C[C@@H]1O[Si](C(C)(C)C)(C)C)Cc1ccccc1	PC-id_10644335	394.421	CLAVCVHWWFAYMW-GDYJBXPASA-N	00100000000011110000010000000000000000000000000000000000	22-01-155490
OC(=O)C1[NH+]2C1CC(CC2)C(=O)NCCNCOc1cc[n+](cc1)CC(=O)O	PC-id_59916322	394.422	YZQLICKYQIVVDE-UHFFFAOYSA-P	00100000000010101000010000000000000000000000000000000000	22-01-155491
CNC(=O)c1nc(Cc2ccccc2)cc(c1)C(=O)NC1C2C1CN(C2)C(=O)O	SCHEMBL19439180	394.424	SGPYNODFKSQAKL-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-155492
O1C2C1CCC(C2)C(=O)OC(=O)NCCCCNC(=O)NC1=NC(N=CN1)C	PC-id_58963688,SCHEMBL13423706	394.426	UHKJHOMVFCCXME-UHFFFAOYSA-N	00100000000011000001010000000000000000000000000000000000	22-01-155493
Cc1nn(c(c1)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F)C	PC-id_69470071,SCHEMBL5510619	394.434	SWHFLYWKTCCICB-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155494
CCc1ncc([nH]1)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F	SCHEMBL5510874,PC-id_69470182	394.434	XOVWXWDDOLBUCP-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155495
Cn1ncc(c1C)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F	PC-id_69469538,SCHEMBL5509351	394.434	VJNREEJNXRWPAV-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-155496
COc1c(C)c(ccc1S(=O)(=O)C)C(=O)C1C(=O)C2CC2C(C1=O)(C)OC	PC-id_67659859,SCHEMBL8679225	394.439	ZPPFIWJLSIACIX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155497
CC1CCCC2=C(C2(C1)NC(=O)c1cnc(cn1)CF)C(=O)c1nc(ccc1)C	PC-id_89752147,SCHEMBL15188810	394.442	GPRULCYKJJKOTG-UHFFFAOYSA-N	00110000000000101111010000000000000000000000000000000000	22-01-155498
CCC(=O)OC[C@@]12O[C@@H]2CC/C(=CC[C@@H](C[C@@H]1OC(=O)C)C(=C)C)/C(=O)OC	UNPD196357	394.459	VFFHZAXWULNQSA-HIOVIEACSA-N	00100000000000000110010000000000000000000000000000000000	22-01-155499
CC(=O)OCC(=C)[C@H]1[C@@H](COC(=O)C)C(=C)C[C@H]([C@H]2[C@@H]1[C@]2(C)COC(=O)C)O	UNPD142757,PC-id_102446058	394.459	FQGKQKXRLLNYHA-NXMWLWCLSA-N	00100000000000000100010000000000000000000000000000000000	22-01-155500
O=C(OC)/C/1=C/CC(C(=C)C)CC(OC(=O)C)C2(OC2CC1)COC(=O)CC	CNP0150244	394.459	VFFHZAXWULNQSA-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-155501
O=C(OCC(=C)C1C(C(=C)CC(O)C2C1C2(C)COC(=O)C)COC(=O)C)C	CNP0137795	394.459	FQGKQKXRLLNYHA-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-155502
CC(c1ccccc1)OC(=O)C1CC2C(O2)CC1C(=O)OC(C)c1ccccc1	SCHEMBL1664441,PC-id_87273977	394.46	CFMROPDKPKNGMJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155503
CCCCCCCCOC(=O)C1CC2C(O2)CC1C(=O)OC#CC#CC#CC#C	SCHEMBL14628707,PC-id_89386647	394.46	AGUDXTUFBDLHQO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155504
CC(C)(C)[S@@](=O)N[C@@]1([C@@H](C[C@@H]2[C@H]1[C@H]2C(=O)O)OCc1ccc(cc1)F)C#N	PC-id_137480312,SCHEMBL20722268	394.46	RZCFSRSVAHHPCX-MCZHLHPKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155505
CC(C)(C)[S@@](=O)NC1([C@@H](C[C@@H]2[C@H]1[C@H]2C(=O)O)OCc1ccc(cc1)F)C#N	PC-id_137480313,SCHEMBL20722269	394.46	RZCFSRSVAHHPCX-XXUIGGNCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155506
CC(C)(C)S(=O)NC1([C@@H](C[C@@H]2[C@H]1[C@H]2C(=O)O)OCc1ccc(cc1)F)C#N	SCHEMBL20722266,PC-id_137480310	394.46	RZCFSRSVAHHPCX-RFQXQKBXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155507
C12(CCCCC1C2C(=O)NN=Cc1ccc(c2ccc(cc2)C(=O)OCC)o1)C	PC-id_3831134,MCULE-4459970889	394.464	URKVDFDKNZMMSQ-UHFFFAOYSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155508
CCOC(=O)c1ccc(cc1)c1ccc(/C=N/NC(=O)C2C3CCCCC23C)o1	PC-id_9638069,EMOLS-id_46446748	394.464	URKVDFDKNZMMSQ-ZVHZXABRSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155509
CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6562127	394.464	URKVDFDKNZMMSQ-VYAQSOFQSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155510
CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562128	394.464	URKVDFDKNZMMSQ-KBVYENFYSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155511
CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562129	394.464	URKVDFDKNZMMSQ-RDCMYXIFSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155512
CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562130	394.464	URKVDFDKNZMMSQ-CHQXBAGLSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155513
CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6562131	394.464	URKVDFDKNZMMSQ-CCVFBZPMSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155514
CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6562132	394.464	URKVDFDKNZMMSQ-CFTQWZGSSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155515
CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6562133,PC-id_98719861	394.464	URKVDFDKNZMMSQ-YDJIABKJSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155516
CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6562134	394.464	URKVDFDKNZMMSQ-BZVNERFISA-N	00100000101010110000110000000000000000000000000000000000	22-01-155517
CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=NNC(=O)[C@@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98069982	394.464	URKVDFDKNZMMSQ-VBLYTAILSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155518
CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98069984	394.464	URKVDFDKNZMMSQ-XPSBXIDYSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155519
CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=NNC(=O)[C@@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98828365	394.464	URKVDFDKNZMMSQ-MTGJTMORSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155520
O=C([C@@H]1[C@@H]2[C@H]1COC2)Nc1nccc(c1)c1ccc(c(c1)C)OC1CCOCC1	SCHEMBL19004612	394.464	SIYUYBYOUJZADB-NGRWLJPCSA-N	00100010000010111000110000000000000000000000000000000000	22-01-155521
O=C(NC1C2C1CNC2)COC(=O)CC(c1cc(ccc1O)C)c1ccccc1	SCHEMBL3997473,PC-id_68870376	394.464	PYVKDBFPTNHDAO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155522
O=C(NC1[C@H]2[C@@H]1CNC2)COC(=O)CC(c1cc(ccc1O)C)c1ccccc1	PC-id_11165331	394.464	PYVKDBFPTNHDAO-ICLWQDBBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155523
O=C(NN=Cc1oc(cc1)c1ccc(cc1)C(=O)OCC)[C@H]1[C@@]2([C@H]1CCCC2)C	PC-id_7802124	394.464	URKVDFDKNZMMSQ-LEDOBFOHSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155524
O=C(NN=Cc1oc(cc1)c1ccc(cc1)C(=O)OCC)[C@@H]1[C@@]2([C@H]1CCCC2)C	PC-id_7802125	394.464	URKVDFDKNZMMSQ-NOXFTYBFSA-N	00100000101010110000110000000000000000000000000000000000	22-01-155525
Fc1cccc(c1)C(=O)N1C[C@@H]2[C@H](C1)C2CNc1scc(n1)c1ccccn1	PC-id_49862157,BindingDB_PC-id_49862157	394.465	YMAQXTGUXMWEBB-ALOPSCKCSA-N	00100010100000111001110000000000000000000000000000000000	22-01-155526
n1c(csc1NC[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)c1cc(ccc1)F)c1ncccc1	CHEMBL1209052	394.465	YMAQXTGUXMWEBB-BJWYYQGGSA-N	00100010100000111001110000000000000000000000000000000000	22-01-155527
s1c(NCC2C3C2CN(C3)C(=O)c2cc(F)ccc2)nc(c1)c1ncccc1	PC-id_75308667	394.465	YMAQXTGUXMWEBB-UHFFFAOYSA-N	00100010100000111001110000000000000000000000000000000000	22-01-155528
CNC(=O)c1nc(Cc2cccc(c2)OC)cc(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)C	SCHEMBL19448689	394.467	FCDIDFGUXONCOI-RUYXUALKSA-N	00100010000000111000010000000000000000000000000000000000	22-01-155529
FC1(F)C[C@@H]([C@](O)(C(=O)OCC2C3C2C[N+](C3)(C)C)c2ccccc2)CCC1	SCHEMBL3220687,PC-id_25031747	394.475	BFPLJLGTOJDCTK-XOESFOFHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155530
C1CC(CC(C1)O)C(=O)OCc1ccc(s1)COC(=O)C1CCC2C(C1)O2	SCHEMBL13954793,PC-id_89208179	394.482	MVFMTUPLQKBQBP-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-155531
S(=O)(=O)(OC1C2OC2(C(O)(C(C1)(C)C)C=CC(=O)C)C)c1ccc(cc1)C	PC-id_72738568	394.482	FRAIIWVZMFUROT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155532
S(=O)(=O)(O[C@H]1[C@H]2O[C@]2([C@](O)(C(C1)(C)C)/C=C/C(=O)C)C)c1ccc(cc1)C	PC-id_14729962	394.482	FRAIIWVZMFUROT-IVXQWVJZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155533
COc1ccc(cc1C(=O)N1CC2C(C1)C2(C)C)S(=O)(=O)N1CCOCC1	EMOLS-id_111161822	394.485	MTNHNDCIOZFHBE-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155534
COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N1CC2C(C1)C2(C)C	EMOLS-id_111161909	394.485	OAWMUXKLMNBWBT-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155535
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CC(C)(C)NC(=O)OC1C2C1CN(C2)CC(c1ccccc1)(c1ccccc1)O	PC-id_91426770	394.507	UUYCBHZPESTJFO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155617
COc1cccc(c1)C(NC(=O)N1CC[C@@]2([C@H](C1)C2)O)Cc1cc(C)cc(c1)C	EMOLS-id_276237855	394.507	GOLLULJTCBDXEY-BRGACJNDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155618
COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)N2CC[C@@]3(O)C[C@H]3C2)c1	ZINC22_664216297	394.507	GOLLULJTCBDXEY-BGWNEDDSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155619
COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)N2CC[C@@]3(O)C[C@H]3C2)c1	ZINC22_664216298	394.507	GOLLULJTCBDXEY-ODGPQVTHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155620
OCc1ccc(cc1)[C@@H](NC(=O)[C@H]1C[C@@H]2C[C@@H]2CN1CCOc1ccccc1)C	SCHEMBL19389972	394.507	IQKDVSAFNIAGNY-MDFGKDKASA-N	00100000000010110000010000000000000000000000000000000000	22-01-155621
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CSc1ccc(cc1)S(=O)(=O)CC1CC[C@H]2[C@H](C1OC(=O)NCC#N)C2	SCHEMBL4615642	394.508	RIZMDVDWJBCWQF-AMNYIGESSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155628
O=c1ccc(cn1c1ccccc1)N=C(C1=CC2C(C=C1)C2)C1=CCC=CCCC1	PC-id_143181240	394.508	ATLMVRSNVYEENC-UHFFFAOYSA-N	00100000000011111110110000000000000000000000000000000000	22-01-155629
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O=C(c1c(C)nn(c1C)C1CCOCC1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_319827026	394.51	VKPPNQNVMXKWEY-XVAYZXCPSA-N	00100010100010110001110000000000000000000000000000000000	22-01-155633
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O=C(OC(C)(C)C)NC1C2C1CN(C2)CCc1ccc(cc1)c1cccc(n1)N	SCHEMBL6620172,PC-id_69842778	394.51	UFJLSCYZEJNKBD-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-155635
CC(CC1C2C(O2)C[N+]1(C)C)OC(=O)C(c1cccs1)(c1cccs1)O	PC-id_89227734	394.528	BCGQSCOHRLPNKS-UHFFFAOYSA-N	00100010100100000000010000000000000000000000000000000000	22-01-155636
C[C@H](CC1[C@@H]2O[C@@H]2C[N+]1(C)C)OC(=O)C(c1cccs1)(c1cccs1)O	SCHEMBL14036040	394.528	BCGQSCOHRLPNKS-LMAUJVCWSA-N	00100010100100000000010000000000000000000000000000000000	22-01-155637
COc1cc(ccc1OC)S(=O)(=O)N1CCC(CC1)NCC1CC2C(C1)C2	EMOLS-id_318034679	394.528	DBNYBEHIUFSWMC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155638
s1c(C(O)(C(=O)O[C@@H](CC2[N+](C[C@H]3OC23)(C)C)C)c2sccc2)ccc1	PC-id_59912885	394.528	BCGQSCOHRLPNKS-SMOJQAGNSA-N	00100010100100000000010000000000000000000000000000000000	22-01-155639
CCCC(COC(=O)C1CCC2C(C1)O2)(COC(=C)C1CCOC(C1)C)CC	PC-id_143221224	394.545	VINJSYSUXXATQJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155642
O1C2(C1CCC(C2)COCCCCCCCOC(=O)C1CC2(OC2CC1)C)C	SCHEMBL13294299,PC-id_58879075	394.545	GXRGZAQFLMRDTP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155643
CCCc1cc(Oc2cc(CCC)c(c3c2O3)C(C)(C)C)c2c(c1C(C)(C)C)O2	PC-id_139725164	394.546	QTBIJFUQFGUMGJ-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-155644
C/C(=CC=C1C(=O)CCCC1=O)/C=C/C=C(/C=C/C12OC1(C)CCCC2(C)C)C	PC-id_101617583	394.546	OCOGYAFVIWAXAP-ZFERDKMZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155645
CCCCCc1ccc(cc1)c1ccc(cc1)OCCOCC1CCC2C(C1)O2	SCHEMBL12730724,PC-id_58220417	394.546	BKUCTWKZTWLLIA-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-155646
C(CCN1CCCCC1)OCC1[C@@H]2[C@H]1CN(C2)Cc1ccc(cc1)n1cccn1	PC-id_11509443,SCHEMBL5795525	394.553	QIDRDRYODZJGJL-VSGJHWFKSA-N	00100010100010110001110000000000000000000000000000000000	22-01-155647
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S(=O)(C1CCC2OC2(C(=Cc2ccccc2)C1)CCCCC)c1ccccc1	PC-id_73089556	394.569	WDNIWVHHYRKOCT-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-155651
S(=O)([C@@H]1CC[C@H]2O[C@]2(/C(=C/c2ccccc2)/C1)CCCCC)c1ccccc1	PC-id_11761073	394.569	WDNIWVHHYRKOCT-LXZJJLNVSA-N	00100000000000110100010000000000000000000000000000000000	22-01-155652
CCCCC[C@]12O[C@H]1CC[C@@H](C/C/2=Cc1ccccc1)S(=O)c1ccccc1	PC-id_101124121	394.57	WDNIWVHHYRKOCT-OFSYBMNYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-155653
CCC(CC1C2C(O2)C[N+]1(C)C)OC(=O)C(C1CC=CS1)c1cccs1	PC-id_88898745,SCHEMBL12282260	394.571	QDTXADUBBHRSJW-UHFFFAOYSA-N	00100011100100000000010000000000000000000000000000000000	22-01-155654
OC1(C#C/C=CCOC2CCCCO2)C[C@H]([C@@H]2[C@@H]1O2)O[Si](C(C)(C)C)(C)C	PC-id_139616251	394.577	ZSBGTBXIOYWDNP-QMVAJTMDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-155655
COC(=O)[C@@H]1CC2C(C1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C2	PC-id_70149105,SCHEMBL7627291	394.579	HPRGOVFWZZRWBE-ZWIYMOLVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155656
COC(=O)[C@@H]1CC2C([C@@H]1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C2	PC-id_69943199,SCHEMBL6941449	394.579	HPRGOVFWZZRWBE-CDMHEIPLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155657
COC(=O)[C@@H]1CC2C([C@H]1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C2	PC-id_69944246,SCHEMBL6946244	394.579	HPRGOVFWZZRWBE-MNAWUITFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155658
[Si](OC1C2C(C2)CC1C(=O)OC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_77748142	394.579	HPRGOVFWZZRWBE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155659
[Si](OC1CC2(C(C2)C1)C(=O)OC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85040835	394.579	DVIUOZMTHAUNEV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155660
[Si](OC1CCCC2=C(C2=O)/C=C(/C#C1)C(O)c1ccccc1)(C(C)(C)C)(C)C	PC-id_11257925	394.579	XBHHHOHRKVRMDG-VLGSPTGOSA-N	00010000000000110110010000000000000000000000000000000000	22-01-155661
[Si](OC1CCCC2=C(C2=O)C=C(C#C1)C(O)c1ccccc1)(C(C)(C)C)(C)C	PC-id_72772490	394.579	XBHHHOHRKVRMDG-UHFFFAOYSA-N	00010000000000110110010000000000000000000000000000000000	22-01-155662
[Si](O[C@H]1C[C@@]2([C@@H](C2)C1)C(=O)OC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10916239	394.579	DVIUOZMTHAUNEV-IECBHUPTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155663
[Si](O[C@@H]1C[C@]2([C@H](C2)C1)C(=O)OC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10927337	394.579	DVIUOZMTHAUNEV-AXHZCLLHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155664
[Si](O[C@@H]1C[C@@]2([C@@H](C2)C1)C(=O)OC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_9800795	394.579	DVIUOZMTHAUNEV-IMWIBFENSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155665
CCCCCCCCC1OC1CCCCCCCC(=O)OC1CCC2C(C1)O2	PC-id_139890914	394.588	OCXQETWPAJEOKX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155666
CCOC(=O)CCCCCCCCC(=O)OC(C12CC(C)CCC1C2(C)C)C	PC-id_140316999	394.588	AFCJSZILZVXCPI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155667
CCCCCOC(=O)c1ccc(cc1)C=C(C=CC12CC2(C)CCCC1(C)C)C	PC-id_88719239,SCHEMBL11078896	394.589	MOUUYIKCROMBKZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155668
CCCCCOC(=O)c1ccc(cc1)/C=C(/C=CC12CC2(C)CCCC1(C)C)C	SCHEMBL11078893	394.589	MOUUYIKCROMBKZ-GHMNZFHVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155669
C[C@@H]1[C@H](CC=C([C@@H]2[C@H]1O2)S(=O)(=O)c1ccccc1)O[Si](C(C)(C)C)(C)C	PC-id_101474560	394.6	BSAHXFQOEPOUJF-TWKWOARYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-155670
C[C@H]1[C@H](CC=C([C@@H]2[C@H]1O2)S(=O)(=O)c1ccccc1)O[Si](C(C)(C)C)(C)C	PC-id_101474561	394.6	BSAHXFQOEPOUJF-OYSPMZIOSA-N	00100000000000110110010000000000000000000000000000000000	22-01-155671
C[C@H]1[C@@H](CC=C([C@@H]2[C@H]1O2)S(=O)(=O)c1ccccc1)O[Si](C(C)(C)C)(C)C	PC-id_102254191	394.6	BSAHXFQOEPOUJF-QNDJGXFYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-155672
C[C@@H]1[C@@H](CC=C([C@H]2[C@@H]1O2)S(=O)(=O)c1ccccc1)O[Si](C(C)(C)C)(C)C	PC-id_102323724	394.6	BSAHXFQOEPOUJF-OPNNQBFTSA-N	00100000000000110110010000000000000000000000000000000000	22-01-155673
C[C@H]1[C@@H](CC=C([C@H]2[C@@H]1O2)S(=O)(=O)c1ccccc1)O[Si](C(C)(C)C)(C)C	PC-id_102323729	394.6	BSAHXFQOEPOUJF-WLWJZTKJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-155674
CC[Si](O[C@@H]1CC=C([C@@H]2[C@H]([C@H]1C)O2)S(=O)(=O)c1ccccc1)(CC)CC	PC-id_140801372	394.6	NHMGERGPXNHRTF-MFHCWRBVSA-N	00100000000000110110010000000000000000000000000000000000	22-01-155675
S(=O)(C12OC1C(OC2C=C)CO[Si](C(C)(C)C)(C)C)c1ccc(cc1)C	PC-id_73067551	394.6	YPOAQFKZJVTSKH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155676
[S@@](=O)([C@@]12O[C@@H]1[C@H](O[C@H]2C=C)CO[Si](C(C)(C)C)(C)C)c1ccc(cc1)C	PC-id_11703906	394.6	YPOAQFKZJVTSKH-SDMFYXEBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155677
S(=O)(=O)(C1=CC[C@@H](O[Si](C(C)(C)C)(C)C)[C@H]([C@@H]2O[C@H]12)C)c1ccccc1	PC-id_11589291	394.6	BSAHXFQOEPOUJF-SKWUIDRYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-155678
S(=O)(=O)(C1=CC[C@H](O[Si](CC)(CC)CC)[C@H]([C@H]2O[C@@H]12)C)c1ccccc1	PC-id_56933459	394.6	NHMGERGPXNHRTF-VUBSUSDNSA-N	00100000000000110110010000000000000000000000000000000000	22-01-155679
S(=O)(=O)(C1=CC[C@@H](O[Si](CC)(CC)CC)[C@H]([C@@H]2O[C@H]12)C)c1ccccc1	PC-id_56935306	394.6	NHMGERGPXNHRTF-WSTLGDPDSA-N	00100000000000110110010000000000000000000000000000000000	22-01-155680
S(=O)(=O)(C1=CCC(O[Si](C(C)(C)C)(C)C)C(C2OC12)C)c1ccccc1	PC-id_73021469	394.6	BSAHXFQOEPOUJF-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-155681
S(=O)(=O)(C1=CCC(O[Si](CC)(CC)CC)C(C2OC12)C)c1ccccc1	PC-id_76462669	394.6	NHMGERGPXNHRTF-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-155682
CC(C1CC(C(=O)N1C(C)(C)C)F)CC1C2CC2C(N1C(C)(C)C)C(C)(C)C	SCHEMBL19645675	394.609	QKPQYIUPBFEKKZ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-155683
CC(N1C(CC(C2CC(C(=O)N2C(C)(C)C)F)(C)C)C2C(C1C(C)(C)C)C2)C	PC-id_138658997,SCHEMBL21028234	394.609	KOPWHSSSMXHKPY-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-155684
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[Si](OCCC(OC(=O)C)C#CC12OC1CCCC2)(C(C)C)(C(C)C)C(C)C	PC-id_46191811	394.62	OEMFAUMBQDEXBO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155688
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CCCCCCCCCCCCCCCCCCC1(CCC2C(C1)O2)C(=O)O	PC-id_18426447,SCHEMBL4465960	394.631	LQVVCOTWHXYJNX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155690
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CC(CCCCCCCCCCCCCCC(=O)OCC1CCC2C(C1)O2)C	PC-id_118205555,SCHEMBL16872399	394.631	KGPRSMJKRDJMBF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155693
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CCCCCCCCCC(C(=O)OCC1CCC2C(C1)O2)CCCCCCC	PC-id_118260487,SCHEMBL16940869	394.631	OVBQPTAGRDQOFC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155695
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CCC(CCCC(C(=O)OCC1CCC2C(C1)O2)CCCCCC(CC)C)C	SCHEMBL16882732,PC-id_118214236	394.631	MDAQJBHAPSUOES-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155697
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CCOc1c(c(cc(c1)/C=N/NC(=O)[C@H]1[C@H]2[C@@]1(CCCC2)C)Br)O	CoCoCo_6561582,PC-id_136083969	395.291	NCCLMCFOYFLBKT-SFNRKTQPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155779
CCOc1c(c(cc(c1)/C=N/NC(=O)[C@@H]1[C@H]2[C@@]1(CCCC2)C)Br)O	CoCoCo_6561584,PC-id_136083968	395.291	NCCLMCFOYFLBKT-BHUQIAQOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155780
O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)N[C@@]12CCC[C@H]1C2	ZINC22_664702128	395.419	OFDPWEDNRLVGIF-ORAYPTAESA-N	00100010000010110000010000000000000000000000000000000000	22-01-155840
CCOc1c(c(cc(c1)/C=NNC(=O)[C@@H]1[C@@H]2[C@]1(CCCC2)C)Br)O	CoCoCo_6561586,PC-id_136729312	395.291	NCCLMCFOYFLBKT-CFGKLSJISA-N	00100000000010110000010000000000000000000000000000000000	22-01-155781
CCOc1c(c(cc(c1)/C=NNC(=O)[C@@H]1[C@H]2[C@@]1(CCCC2)C)Br)O	PC-id_135958261,CoCoCo_6561583	395.291	NCCLMCFOYFLBKT-QUYDKHJWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155782
CCOc1c(c(cc(c1)/C=NNC(=O)[C@H]1[C@H]2[C@@]1(CCCC2)C)Br)O	PC-id_135958262,CoCoCo_6561581	395.291	NCCLMCFOYFLBKT-ZDXFBESYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155783
CCOc1c(c(cc(c1)/C=N/NC(=O)[C@@H]1[C@@H]2[C@]1(CCCC2)C)Br)O	PC-id_136729311,CoCoCo_6561587	395.291	NCCLMCFOYFLBKT-GQNMFNQTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155784
CCOc1c(c(cc(c1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(CCCC2)C)Br)O	PC-id_136733779	395.291	NCCLMCFOYFLBKT-OGXMHIDPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155785
CCOc1c(c(cc(c1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(CCCC2)C)Br)O	PC-id_136742056	395.291	NCCLMCFOYFLBKT-GLFNBLRSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155786
CCOc1c(c(cc(c1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(CCCC2)C)Br)O	PC-id_136829036	395.291	NCCLMCFOYFLBKT-YEKHUIDHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155787
CCOc1c(c(cc(c1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(CCCC2)C)Br)O	PC-id_136829037	395.291	NCCLMCFOYFLBKT-LIJIFHSASA-N	00100000000010110000010000000000000000000000000000000000	22-01-155788
CCOc1c(c(cc(c1)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(CCCC2)C)Br)O	PC-id_136886703	395.291	NCCLMCFOYFLBKT-ULBYWEGOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155789
CCOc1c(c(cc(c1)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(CCCC2)C)Br)O	PC-id_136886704	395.291	NCCLMCFOYFLBKT-HFBIQIHXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155790
CCOc1cc(/C=N/NC(=O)C2C3CCCCC23C)cc(Br)c1O	PC-id_135624658,EMOLS-id_46446684	395.291	NCCLMCFOYFLBKT-KEBDBYFISA-N	00100000000010110000010000000000000000000000000000000000	22-01-155791
CCOc1cc(/C=N/NC(=O)[C@H]2[C@@H]3[C@@]2(C)CCCC3)cc(c1O)Br	CoCoCo_6561580,CoCoCo_6561585	395.291	NCCLMCFOYFLBKT-XDBYTKHPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155792
C[C@@]12C[C@H](N[C@@H]1C2)C(=O)Nc1c(ccc(n1)Br)CN1CCOCC1	PC-id_135318578	395.294	HVDISACEZYUGSO-AHIWAGSCSA-N	00100010000010101001010000000000000000000000000000000000	22-01-155793
COc1nc(ncc1Br)N1CCN(CC1)C(=O)CC1CCC2C1C2	EMOLS-id_101217001	395.294	QOSFIIRLXVLIPX-UHFFFAOYSA-N	00100010000010100001110000000000000000000000000000000000	22-01-155794
O=C([C@H]1NC2C(C1)(C2)CN1CCOCC1)Nc1nc(Br)ccc1C	PC-id_140882356	395.294	KPVLOJDYKUTREK-POZPTJLLSA-N	00100010000010101001010000000000000000000000000000000000	22-01-155795
O=C(N1CC2C(C1)C2(C)C)Nc1cnc(c(c1)Br)N1CCOCC1	EMOLS-id_111874647	395.294	GLFYXMUNMIURSP-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-155796
O=C(N1CC2C(C1)C2(C)C)Nc1ncc(c(c1)N1CCOCC1)Br	EMOLS-id_101437998	395.294	VFSGCBWISOJBSG-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-155797
CC(C)(C)OC(=O)N[C@H]1CC2C(C2(Cl)Cl)CC1NC(=O)OC(C)(C)C	PC-id_134438268,SCHEMBL20072980	395.321	FGKPSEBNJPCWMP-FYJQFVIDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155798
CC(C)(C)OC(=O)N[C@H]1CC2C(C2(Cl)Cl)C[C@@H]1NC(=O)OC(C)(C)C	PC-id_134429853,SCHEMBL20063832	395.321	FGKPSEBNJPCWMP-QQFIATSDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-155799
C[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C3)C1)c1c(Cl)cccc1Cl	ZINC22_2325839289	395.323	OJBGRXGLDAPKJG-DIMHRPKISA-N	00100010000010110000010000000000000000000000000000000000	22-01-155800
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C3)C1)c1c(Cl)cccc1Cl	ZINC22_2325839290	395.323	OJBGRXGLDAPKJG-POLYTFBCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155801
C=CCOC(=O)N[C@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)OCc1cc(F)cc(c1)F	SCHEMBL5841443,PC-id_58630914	395.354	YUDPMSREJMWCSN-XLPNERPQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155802
Fc1cc(COC(=O)C2(NC(=O)OCC=C)C3C(C3C(=O)O)CC2)cc(F)c1	PC-id_23569543	395.354	YUDPMSREJMWCSN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155803
FCc1cc(cc(c1)C(F)(F)F)c1ncn(n1)/C=CC(=O)N1CC2C(C1)C2N	SCHEMBL18162621,PC-id_122632294	395.354	OSNLGUDVQZQCKB-UPHRSURJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155804
FCc1cc(cc(c1)C(F)(F)F)c1ncn(n1)/C=CC(=O)NC1C2C1CNC2	SCHEMBL18051798,PC-id_122518506	395.354	UTXPEIKFELBYQT-UPHRSURJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155805
COC1(C)C2CC2C(=O)C(C1=O)C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C	SCHEMBL8679245,PC-id_18940342	395.384	UKSZZBYIWZQPFQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155806
C1C2CC2N(C1CNC(=O)C(F)(F)F)C(=O)c1c(scn1)c1ccccc1	PC-id_87261162	395.399	RYDKMZHSYGXOLG-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155807
Cc1nc(c(s1)c1ccccc1C(F)(F)F)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N	SCHEMBL1572629,PC-id_67081647	395.399	ZBJLUPBIPJNPDL-XDTLVQLUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155808
Cc1nc(c(s1)c1ccccc1C(F)(F)F)C(=O)N1[C@H]2C[C@@H]2C[C@H]1C(=O)N	SCHEMBL1572631,PC-id_67081649	395.399	ZBJLUPBIPJNPDL-ICCXJUOJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155809
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N)c1cccc(c1)C(F)(F)F	PC-id_67081349,SCHEMBL1572094	395.399	XVAUIHSJLCLCIC-DRZSPHRISA-N	00100010100000110001110000000000000000000000000000000000	22-01-155810
Cc1sc(c(n1)C(=O)N1[C@H]2C[C@@H]2C[C@H]1C(=O)N)c1cccc(c1)C(F)(F)F	SCHEMBL1572096,PC-id_67081351	395.399	XVAUIHSJLCLCIC-WXHSDQCUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155811
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1ccccc1C(F)(F)F)C	PC-id_68445804,SCHEMBL2931884	395.399	ODGSIZDKYVRNAO-UDZFHETQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155812
NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C(F)(F)F)C	SCHEMBL2925013,PC-id_68443048	395.399	ABNZQJGHGJBFDS-QKCSRTOESA-N	00100010100000110001110000000000000000000000000000000000	22-01-155813
NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C(F)(F)F)C	SCHEMBL3418131,PC-id_68634965	395.399	ABNZQJGHGJBFDS-JKOKRWQUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155814
O=C(c1ncsc1c1ccccc1)N1[C@H](CNC(=O)C(F)(F)F)C[C@H]2C1C2	SCHEMBL1572344	395.399	RYDKMZHSYGXOLG-OJRHAOMCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155815
O=C(c1ncsc1c1ccccc1)N1[C@H](CNC(=O)C(F)(F)F)C[C@H]2[C@@H]1C2	SCHEMBL1572338	395.399	RYDKMZHSYGXOLG-AGIUHOORSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155816
O=C(c1ncsc1c1ccccc1)N1[C@H](CNC(=O)C(F)(F)F)C[C@@H]2[C@@H]1C2	SCHEMBL1572343	395.399	RYDKMZHSYGXOLG-AVGNSLFASA-N	00100010100000110001110000000000000000000000000000000000	22-01-155817
s1c(c(nc1C)C(=O)N1C2C(C2)CC1C(=O)N)c1cc(ccc1)C(F)(F)F	PC-id_77222958	395.399	XVAUIHSJLCLCIC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155818
s1c(c(nc1C)C(=O)N1C2C(C2)CC1C(=O)N)c1c(cccc1)C(F)(F)F	PC-id_77223079	395.399	ZBJLUPBIPJNPDL-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155819
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1cc(ccc1)C(F)(F)F	PC-id_76542616	395.399	ABNZQJGHGJBFDS-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155820
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)C(=O)N)c1c(cccc1)C(F)(F)F	PC-id_76542617	395.399	ODGSIZDKYVRNAO-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155821
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1cc(ccc1)C(F)(F)F	PC-id_57489147	395.399	ABNZQJGHGJBFDS-VHRBIJSZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155822
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)C(=O)N)c1c(cccc1)C(F)(F)F	PC-id_57489148	395.399	ODGSIZDKYVRNAO-NURSFMCSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155823
OC(=O)C1C2C1CN(C2)C(c1ccc(c(n1)OCC1CC1)N1CC(C1)(F)F)O	SCHEMBL19223013	395.4	UYGQYLUKIUOYLQ-UHFFFAOYSA-N	00101010000000101000110000000000000000000000000000000000	22-01-155824
Fc1ccc(c(c1)C(=O)NC1[C@@H]2[C@H]1CN(C2)Cc1ncn(n1)c1ccccc1)F	PC-id_146146277	395.405	MTXRDYHDDSLZPP-XEWABKELSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155825
Fc1ccc(nc1)C(=O)NC1[C@@H]2[C@H]1CN(C2)Cc1ccn(n1)c1ccccc1F	PC-id_146146280	395.405	CKZYGGYVZBCDKB-NYTJIUQPSA-N	00100010100000111001110000000000000000000000000000000000	22-01-155826
O=C(N[C@H]1[C@@H]2CN(Cc3ccn(c4ccccc4F)n3)C[C@H]12)c1ccc(F)cn1	ZINC22_1875324835	395.405	CKZYGGYVZBCDKB-IGOJGBNBSA-N	00100010100000111001110000000000000000000000000000000000	22-01-155827
O=C(N[C@H]1[C@@H]2CN(Cc3ncn(c4ccccc4)n3)C[C@H]12)c1cc(F)ccc1F	ZINC22_1875325399	395.405	MTXRDYHDDSLZPP-YRWFTTLQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-155828
CCOC(=O)c1noc(c1)COC(=O)NC1C2C1CN(C2)C(=O)OC(C)(C)C	SCHEMBL8510015,PC-id_67606185	395.407	ZCDYJLVYNOOZIT-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-155829
COC(=O)C(NC(=O)OC12CC2(C)CCC1Oc1nc(OC)cc(n1)OC)C	PC-id_67845630,SCHEMBL9412088	395.407	AIRJTDRHRDLRPG-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-155830
Cn1cccc1CON1CC2C(C1)C2CNCc1cc(ccc1)OC(F)(F)F	PC-id_90353572,SCHEMBL15967253	395.419	WOIQZMAFMBNZAJ-UHFFFAOYSA-N	00100010110000110000010000000000000000000000000000000000	22-01-155831
CNC1=C2CC2C(C1)(C)NC(=O)c1ncc(c(c1)O[C@H](C(F)(F)F)C)C1CC1	SCHEMBL19225533	395.419	FFJOLUKUNOAQOH-ISMBGTSTSA-N	00100011000000101000110000000000000000000000000000000000	22-01-155832
FC(F)(F)c1cc(NC(=O)CNC(=O)C2C3C2CN(C3)C(C2CC2)C)ccc1	PC-id_77138040	395.419	OBYWDGPMBUXJGL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155833
FC(F)(F)c1cc(NC(=O)CNC(=O)C2[C@H]3[C@@H]2CN(C3)C(C2CC2)C)ccc1	PC-id_66549851	395.419	OBYWDGPMBUXJGL-NQQMKYEASA-N	00100010000000110000010000000000000000000000000000000000	22-01-155834
O=C(N1CCC(CC1)N(C(=O)C(F)(F)F)c1cccnc1)CC1CCC2C1C2	EMOLS-id_316562583	395.419	XYGVZPBNSAIESO-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-155835
O=C(NC12CCCC1C2)NC1CCCN(C1=O)Cc1cccc(c1)C(F)(F)F	EMOLS-id_316898538,MCULE-8062180382	395.419	GYQNJGVTTKBJGZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155836
O=C(NC12CCCC1C2)NC1CCN(CC1)C(=O)c1ccccc1C(F)(F)F	MCULE-4068714354,EMOLS-id_316898285	395.419	OFDPWEDNRLVGIF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155837
O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)N[C@@]12CCC[C@@H]1C2	ZINC22_664702126	395.419	OFDPWEDNRLVGIF-BFUOFWGJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155838
O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)N[C@]12CCC[C@H]1C2	ZINC22_664702127	395.419	OFDPWEDNRLVGIF-DJJJIMSYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155839
O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)N[C@]12CCC[C@@H]1C2	ZINC22_664702129	395.419	OFDPWEDNRLVGIF-YJYMSZOUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155841
O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)N[C@]12CCC[C@H]1C2	ZINC22_664594681	395.419	GYQNJGVTTKBJGZ-FCEWJHQRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155842
O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)N[C@@]12CCC[C@H]1C2	ZINC22_664594684	395.419	GYQNJGVTTKBJGZ-FRQCXROJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155843
O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)N[C@@]12CCC[C@@H]1C2	ZINC22_664594687	395.419	GYQNJGVTTKBJGZ-GPMSIDNRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155844
O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)N[C@]12CCC[C@@H]1C2	ZINC22_664594691	395.419	GYQNJGVTTKBJGZ-MDZRGWNJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155845
CC1(C)OC[C@@H]2C[C@@]12NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	ZINC22_528966005	395.427	UJAYZJKLLPRQOL-AOMKIAJQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155846
CC1(C)OC[C@@H]2C[C@]12NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	ZINC22_528966006	395.427	UJAYZJKLLPRQOL-KSFYIVLOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155847
CC1(C)OC[C@H]2C[C@]12NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	ZINC22_528966007	395.427	UJAYZJKLLPRQOL-OPAMFIHVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155848
CC1(C)OC[C@H]2C[C@@]12NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	ZINC22_528966008	395.427	UJAYZJKLLPRQOL-ZHRRBRCNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155849
N#Cc1cccc(c1)COc1ccc(cc1F)NC(=O)NC12CC1COC2(C)C	EMOLS-id_313147974,MCULE-4564936117	395.427	UJAYZJKLLPRQOL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155850
O=C1N(C(C2C1(C2)C(=O)OCC)COc1ccc(OC)cc1)Cc1ccccc1	PC-id_73104524	395.448	CWORGSDKQQPMHC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155851
O=C1N([C@H]([C@H]2[C@@]1(C2)C(=O)OCC)COc1ccc(OC)cc1)Cc1ccccc1	PC-id_11794993	395.448	CWORGSDKQQPMHC-SXWKCWPCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155852
CNC(=O)c1cc(cc(n1)C(c1ccccc1)OC)C(=O)NC1C2C1CC(C2)O	PC-id_145407028	395.452	NXUPKMOZLDSAOF-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-155853
CNC(=O)c1cc(cc(n1)C(c1ccccc1)OC)C(=O)N[C@@H]1[C@@H]2[C@H]1C[C@@H](C2)O	SCHEMBL19661913	395.452	NXUPKMOZLDSAOF-FEAZKMKOSA-N	00100010000010111000010000000000000000000000000000000000	22-01-155854
CNC(=O)c1cc(cc(n1)C(c1ccccc1)OC)C(=O)N[C@@H]1[C@@H]2[C@H]1C[C@H](C2)O	SCHEMBL19661917	395.452	NXUPKMOZLDSAOF-BFPHGVDSSA-N	00100010000010111000010000000000000000000000000000000000	22-01-155855
CNC(=O)c1cc(cc(n1)[C@@H](c1ccccc1)OC)C(=O)N[C@@H]1[C@@H]2[C@H]1C[C@H](C2)O	SCHEMBL19662236	395.452	NXUPKMOZLDSAOF-BUSATUKNSA-N	00100010000010111000010000000000000000000000000000000000	22-01-155856
CNC(=O)c1cc(cc(n1)[C@H](c1ccccc1)OC)C(=O)N[C@@H]1[C@@H]2[C@H]1C[C@H](C2)O	SCHEMBL19662237	395.452	NXUPKMOZLDSAOF-GPEJODLCSA-N	00100010000010111000010000000000000000000000000000000000	22-01-155857
CNC(=O)c1cc(cc(n1)[C@@H](c1ccccc1)OC)C(=O)N[C@@H]1[C@@H]2[C@H]1C[C@@H](C2)O	SCHEMBL19662432	395.452	NXUPKMOZLDSAOF-KMJHBWPFSA-N	00100010000010111000010000000000000000000000000000000000	22-01-155858
CNC(=O)c1cc(cc(n1)[C@H](c1ccccc1)OC)C(=O)N[C@@H]1[C@@H]2[C@H]1C[C@@H](C2)O	SCHEMBL19662433	395.452	NXUPKMOZLDSAOF-MHZKCTCGSA-N	00100010000010111000010000000000000000000000000000000000	22-01-155859
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COc1cccc(c1)C(c1cc(cc(n1)C(=O)NC)C(=O)NC1[C@@H]2[C@H]1COC2)C	PC-id_138571830	395.452	YCSVDGWBYAIIBC-HUYIHMFQSA-N	00100010000000111000010000000000000000000000000000000000	22-01-155865
COc1cccc(c1)C(c1cc(cc(n1)C(=O)NC)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)C	SCHEMBL20929895	395.452	YCSVDGWBYAIIBC-RPZUSFJVSA-N	00100010000000111000010000000000000000000000000000000000	22-01-155866
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COc1cccc(c1)[C@H](c1cc(cc(n1)C(=O)NC)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2)C	SCHEMBL20929866	395.452	YCSVDGWBYAIIBC-YOACBEGTSA-N	00100010000000111000010000000000000000000000000000000000	22-01-155869
COCC(c1ccccc1)c1cc(cc(n1)C(=O)NC)C(=O)NC1C2C1COC2	PC-id_145379882	395.452	CFPHBZIBNCYNDD-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-155870
COCC(c1ccccc1)c1cc(cc(n1)C(=O)NC)C(=O)NC1[C@@H]2[C@H]1COC2	PC-id_138571808	395.452	CFPHBZIBNCYNDD-PAVWBUCMSA-N	00100010000000111000010000000000000000000000000000000000	22-01-155871
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COC[C@@H](c1ccccc1)c1cc(cc(n1)C(=O)NC)C(=O)NC1[C@@H]2[C@H]1COC2	PC-id_138571833	395.452	CFPHBZIBNCYNDD-NFYOSOMSSA-N	00100010000000111000010000000000000000000000000000000000	22-01-155874
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COC[C@@H](c1ccccc1)c1cc(cc(n1)C(=O)NC)C(=O)N[C@@H]1[C@@H]2[C@H]1COC2	SCHEMBL20929898	395.452	CFPHBZIBNCYNDD-MIALQEHNSA-N	00100010000000111000010000000000000000000000000000000000	22-01-155876
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COc1ccc(NC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1S(=O)(=O)N[C@@H]1CCOC1	ZINC22_888101811	395.473	HRGHETGZARPXNH-UMVBOHGHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155886
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COc1ccc(NC(=O)N[C@@]23CCC[C@@H]2C3)cc1S(=O)(=O)N1CCOCC1	ZINC22_665190011	395.473	WIVPHTQLSFORIO-FZKQIMNGSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155889
COc1ccc(NC(=O)N[C@@]23CCC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1	ZINC22_665190012	395.473	WIVPHTQLSFORIO-SCLBCKFNSA-N	00100010000010110001010000000000000000000000000000000000	22-01-155890
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CCOC(=O)C1C2C1CC(/C/2=N/S(=O)C(C)(C)C)OCc1ccc(cc1)F	SCHEMBL20730974,PC-id_137488501	395.488	UYUIXBLUCLXXQA-PYCFMQQDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155892
CCOC(=O)[C@]1(N)[C@@H](C[C@@H]2[C@H]1[C@@]2(F)C(=O)OCC)SC(c1ccccc1)C	PC-id_11463579,SCHEMBL5094435	395.488	DFEYSMQTLBVKAQ-SKFJYURHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155893
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CC(C)(C)OC(=O)C1C2C1[C@@](C=C2)(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	PC-id_135160476,SCHEMBL20309268	395.49	DWBNDNCIYWPNEA-VJRHMXRTSA-N	00100011000000000000010000000000000000000000000000000000	22-01-155898
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O1C2(C1CCCC2)C(CN(C)C(=O)OCc1ccccc1)c1ccc(OC)cc1	PC-id_78138129	395.491	XKRBMNQNMWZRTH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155908
O1C2(C1CCCC2)[C@@H](CN(C)C(=O)OCc1ccccc1)c1ccc(OC)cc1	PC-id_71623844	395.491	XKRBMNQNMWZRTH-YNEXMFEJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155909
CCOc1ccc(nc1C(=O)N1CC2CC2CC1Nc1nc(C)c(c(n1)C)C)C	PC-id_67430777,SCHEMBL2501403	395.498	NFCYSZIAUFSEGH-UHFFFAOYSA-N	00100000000010101001010000000000000000000000000000000000	22-01-155910
CCOc1ccc(nc1C(=O)N1CC2CC2CC1N(c1nc(C)cc(n1)C)C)C	PC-id_67430778,SCHEMBL2501404	395.498	HBVLDQCIOAKCFU-UHFFFAOYSA-N	00100000000010101001010000000000000000000000000000000000	22-01-155911
CCOc1ccc(nc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1nc(C)cc(n1)C)C	PC-id_46219805,SCHEMBL3389601	395.498	IVLBIFBJHFCCHA-SQNIBIBYSA-N	00100000000010101001010000000000000000000000000000000000	22-01-155912
N#C[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@H](CN([C@H]1CCN(C1=O)[C@H](c1ccccc1)C)C)N)C2	PC-id_70998108,SCHEMBL13810075	395.498	WQSGTVFZEZKOGL-PYNNRZRQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155913
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O=C(N1[C@@H]2[C@@H](C2)C[C@H]1C#N)[C@@H](N)CN([C@@H]1CCN(C1=O)[C@H](c1ccccc1)C)C	PC-id_57726168	395.498	WQSGTVFZEZKOGL-IEKSPZHNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155915
CCc1snc(c1)C(=O)NC1c2c1cn(c2)S(=O)(=O)N1CCC(CC1)N	SCHEMBL19710234	395.5	XFGMTQFAYLDXSN-UHFFFAOYSA-N	00100000100010000001010000000000000000000000000000000000	22-01-155916
[C@H]1(CN(C)CC2CCN(CC2)CCc2cccc(c2)C(F)(F)F)[C@H]2[C@@H]1CNC2	ZINC22_102389723,MCULE-1689704692,EMOLS-id_48445146	395.505	UZRQKTFGGLTYDX-AERCQKQUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-155917
FC(F)(F)c1cc(CCN2CCC(CN(CC3[C@H]4[C@@H]3CNC4)C)CC2)ccc1	PC-id_72876894	395.505	UZRQKTFGGLTYDX-WCRBZPEASA-N	00100010000010110000010000000000000000000000000000000000	22-01-155918
Cc1ccc(cc1)CN1CC2C(C1)C2CNc1ccc(c(c1)F)N1CCOCC1	SCHEMBL2170676,PC-id_67303583	395.513	OIQZTOYMUIYREB-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-155919
Cc1cccc(c1)CN1CC2C(C1)C2CNc1ccc(c(c1)F)N1CCOCC1	SCHEMBL4424484,PC-id_69038521	395.513	YTHQVENRVQWNST-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-155920
Fc1cc(NCC2C3C2CN(C3)Cc2c(cccc2)C)ccc1N1CCOCC1	PC-id_67307396,SCHEMBL2180736	395.513	WDGFTIVDAFCJDP-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-155921
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Cc1ccc(cc1)S(=O)(=O)N1[C@H]2[C@@]1(CCCC2)C#CCOCc1ccccc1	PC-id_101575707	395.514	VGFPJTULFWBHPU-YOQGVNIDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-155924
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Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@@]12C[C@@H]1COC2(C)C	ZINC22_528921227	395.516	SNISXYSZOQMEFG-KUHUBIRLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155927
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@@]12C[C@H]1COC2(C)C	ZINC22_528921229	395.516	SNISXYSZOQMEFG-LIRRHRJNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-155928
CCCCNCC(COc1ncc(s1)C(=O)NCCC1C2C1CCC2=O)O	PC-id_68127625,SCHEMBL11773647	395.516	LFCHTPUZQWYCDG-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-155929
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C(=CC(=C)C)/C/C=C/[C@H]1CC(=C)[C@H]2[C@@H](O2)[C@@H](C(=C)CC(=C)C(=C)CCC(=O)O1)O	UNPD125984,PC-id_10810767,CMNPD10991	396.519	JVSYUOSONIICNS-GPAUMLEVSA-N	00100000000000000100010000000000000000000000000000000000	22-01-156186
CC(=C)/C=C/C/C=C/[C@H]1OC(=O)CCC(=C)C(=C)CC(=C)[C@@H]([C@@H]2[C@@H](C(=C)C1)O2)O	PC-id_102325936	396.519	JVSYUOSONIICNS-VLZUFJIKSA-N	00100000000000000100010000000000000000000000000000000000	22-01-156187
CC(=C)/C=C/C/C=C/[C@H]1OC(=O)CCC(=C)C(=C)CC(=C)[C@H]([C@@H]2[C@@H](C(=C)C1)O2)O	PC-id_102325938	396.519	JVSYUOSONIICNS-UQVHXKRBSA-N	00100000000000000100010000000000000000000000000000000000	22-01-156188
CC(=C)/C=C/C/C=C/[C@H]1OC(=O)CCC(=C)C(=C)CC(=C)[C@H]([C@H]2[C@H](C(=C)C1)O2)O	PC-id_102325942	396.519	JVSYUOSONIICNS-CNBGQPTASA-N	00100000000000000100010000000000000000000000000000000000	22-01-156189
CC(=C)/C=C/C/C=C/[C@H]1OC(=O)CCC(=C)C(=C)CC(=C)[C@@H]([C@H]2[C@H](C(=C)C1)O2)O	PC-id_102325944	396.519	JVSYUOSONIICNS-BQNRNCBKSA-N	00100000000000000100010000000000000000000000000000000000	22-01-156190
O1[C@@H]2[C@@H]1C(=C)C[C@H](OC(=O)CCC(=C)C(=C)CC(=C)[C@H]2O)C=CC/C=C/C(=C)C	PC-id_42632483	396.519	JVSYUOSONIICNS-CQUXDZMJSA-N	00100000000000000100010000000000000000000000000000000000	22-01-156191
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BrC(c1cc(Cl)c(cc1F)Br)C1C2C1CCCC2	PC-id_105400094	396.52	QUTOXXKTWOVZIF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156194
CCC1(CC)[C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O	PC-id_101400740	396.521	HQLHJPAOPZBYGH-ZQDZILKHSA-N	00100010000000000000010000000000000000000000000000000000	22-01-156195
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Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCCC[C@@H]23)cc1NC(=O)NC1[C@@H]2CCCC[C@@H]12	ZINC22_239637043	396.526	BILSWOJHKFDVQL-LYYGHALDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156200
Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCCC[C@@H]23)cc1NC(=O)NC1[C@H]2CCCC[C@H]12	ZINC22_239637044	396.526	BILSWOJHKFDVQL-MUPNANLLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156201
Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCCC[C@@H]23)cc1NC(=O)N[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_239637046	396.526	BILSWOJHKFDVQL-VUGINNAHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156202
O=C(C1C2C1CCC2)Nc1cnn(c1)CC1CCCCN1C(=O)C1C2C1CCC2	EMOLS-id_100358538	396.526	RKXHIMXEDJGDLW-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-156203
O=C(NC1C2C1CCCC2)Nc1ccc(c(c1)NC(=O)NC1C2C1CCCC2)C	EMOLS-id_42926611,PC-id_72104789,MCULE-6900640184	396.526	BILSWOJHKFDVQL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156204
O=C(NC1[C@@H]2[C@H]1CCCC2)Nc1ccc(c(c1)NC(=O)NC1[C@@H]2[C@H]1CCCC2)C	PC-id_100840112	396.526	BILSWOJHKFDVQL-GXMGCWFQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156205
O=C(NC1[C@H]2[C@H]1CCCC2)Nc1ccc(c(c1)NC(=O)NC1[C@@H]2[C@H]1CCCC2)C	PC-id_100840113	396.526	BILSWOJHKFDVQL-UXSIDCDXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156206
O=C(NC1[C@@H]2[C@H]1CCCC2)Nc1ccc(c(c1)NC(=O)NC1[C@H]2[C@H]1CCCC2)C	PC-id_100901251	396.526	BILSWOJHKFDVQL-CYFCUZRWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156207
O=C(NC1[C@@H]2[C@H]1CCCC2)Nc1ccc(c(c1)NC(=O)NC1[C@@H]2[C@@H]1CCCC2)C	PC-id_98768594	396.526	BILSWOJHKFDVQL-OAQHUEAYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156208
C(CCN1CCCCC1)OCC1[C@@H]2[C@H]1CN(C2)Cc1ccc(cc1)c1nnn[nH]1	PC-id_11582035,SCHEMBL5908103	396.529	CEFZGGWTERKWCF-WCRBZPEASA-N	00100010100010110001110000000000000000000000000000000000	22-01-156209
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[Si](OC1/C=C/C=CC2C(C2(F)F)C[C@H](OC(=O)C#CC1)C)(C(C)(C)C)(C)C	PC-id_59721612	396.543	MGUKSMJXCWPNJF-SKONVTCXSA-N	00100000000000000110010000000000000000000000000000000000	22-01-156214
[Si](OC1C=CC=CC2C(C2(F)F)CC(OC(=O)C#CC1)C)(C(C)(C)C)(C)C	PC-id_72367454	396.543	MGUKSMJXCWPNJF-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-156215
CC(NC(=O)C1CCC2(C(C1)O2)C)SC(C)NC(=O)C1CCC2(C(C1)O2)C	PC-id_89059523,SCHEMBL13320112	396.544	AFMUMIUSASITRW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-156216
S(CCNC(=O)C1CC2OC2(CC1)C)CCNC(=O)C1CC2OC2(CC1)C	PC-id_59364621	396.544	NAWIXMILAFEWIF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-156217
O=C(C(c1ccccc1)(C1CCCC1)O)NC1C2C1CN(C2)Cc1cccs1	PC-id_68903761,SCHEMBL4079189	396.546	LXIALTLABOSJMM-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-156218
O=C(C(c1ccccc1)(C1CCCC1)O)NC1[C@@H]2[C@H]1CN(C2)Cc1cccs1	BindingDB_PC-id_9978073,PC-id_9978073	396.546	LXIALTLABOSJMM-CVFDLSLPSA-N	00100010100100110000010000000000000000000000000000000000	22-01-156219
O=C(C(c1ccccc1)(C1CCCC1)O)N[C@@H]1[C@@H]2C1CN(C2)Cc1cccs1	SCHEMBL4074878	396.546	LXIALTLABOSJMM-ZPPRGNAZSA-N	00100010100100110000010000000000000000000000000000000000	22-01-156220
O=C(C(c1cccs1)(C1CCCC1)O)NC1C2C1CN(C2)Cc1ccccc1	PC-id_69116658,SCHEMBL4619088	396.546	CGUCNEFVJNRHOB-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-156221
O=C(N[C@H]1[C@@H]2CN(Cc3cccs3)C[C@H]12)C(O)(c1ccccc1)C1CCCC1	CHEMBL249005	396.546	LXIALTLABOSJMM-ZMBSYCPLSA-N	00100010100100110000010000000000000000000000000000000000	22-01-156222
s1c(CN2CC3[C@@H](C3NC(=O)C(O)(C3CCCC3)c3ccccc3)C2)ccc1	PC-id_68902154	396.546	LXIALTLABOSJMM-YQVLSMDESA-N	00100010100100110000010000000000000000000000000000000000	22-01-156223
[Si](OC(=C)C1(C2C1OCC2)C(=O)OC1C(COC1=O)(C)C)(C(C)(C)C)(C)C	PC-id_85283515	396.55	SQYLLVMGKZZISW-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-156224
[Si](OC(=C)[C@@]1([C@H]2[C@@H]1OCC2)C(=O)O[C@@H]1C(COC1=O)(C)C)(C(C)(C)C)(C)C	PC-id_10834577	396.55	SQYLLVMGKZZISW-XGKMFUNXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-156225
OC(=O)[C@]12O[C@@H](C[C@H]1C2)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_138973462	396.552	JJQJCSIKTHPXQV-IUKKYPGJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156226
[Si](OCC1C2C(OC1)(C2)C(=O)O)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_76513511	396.552	UJTCRVSGAJYEBD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156227
[Si](OCC1OC(=O)CC2OC2C1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_73174348	396.552	APTQDDDDZMITMN-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-156228
[Si](OC[C@@H]1[C@@H]2[C@](OC1)(C2)C(=O)O)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_57332242	396.552	UJTCRVSGAJYEBD-HCLVMJGWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156229
[Si](OC[C@H]1OC(=O)C[C@@H]2O[C@@H]2C1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_12000412	396.552	APTQDDDDZMITMN-WMQCIHAUSA-N	00100000000000110100010000000000000000000000000000000000	22-01-156230
[Si](OC[C@H]1OC(=O)C[C@H]2O[C@H]2C1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_12000457	396.552	APTQDDDDZMITMN-DZFGPLHGSA-N	00100000000000110100010000000000000000000000000000000000	22-01-156231
CC1(CCCC(C1)C(=O)OCCCCCCCOCC1CCC2C(C1)(O2)C)O	PC-id_89058721,SCHEMBL13310910	396.561	DLLCAHMJNOZCJO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-156232
CCCCC(C)(C/C=C/[C@H]1[C@@H](CC2C([C@@H]1CCCCCCC(=O)OC)O2)O)O	PC-id_137413121,SCHEMBL20646600	396.561	LEYAZAHAMIUHRG-PGFBUQQLSA-N	00100000000010000000010000000000000000000000000000000000	22-01-156233
CC(C1CCC2C1C2(C)C)OC(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_140353877	396.564	WHRFWZORMNJDLG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-156234
CCc1cc(cc(c1O)CC)C(c1cc(CC)c2c(c1)C2)(c1cc(C)c2c(c1)C2)C	PC-id_145013282	396.564	ZNEFVTFABMUMEW-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-156235
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O(C(CC1C2C1CCC2)(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_57157319	396.564	SLFCCNPMMSALBN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-156237
O=C(C(c1ccccc1)(C1CCCC1)O)NC1C2C1CN(C2)CC1CCCCC1	SCHEMBL4079688,PC-id_68903960	396.566	OQVZJXZZBSJHOQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-156238
O=C(C(c1ccccc1)(C1CCCC1)O)N[C@@H]1[C@@H]2C1CN(C2)CC1CCCCC1	SCHEMBL4079690	396.566	OQVZJXZZBSJHOQ-FKJJIZJTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-156239
OC(C(=O)NCC1C2C1CN(C2)CC=C(C)C)(C1CCCCC1)c1ccccc1	PC-id_10430882	396.566	ZVWHKJBEUVCSNC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-156240
OC(C(=O)NCC1C2C1CN(C2)CCC=C(C)C)(C1CCCC1)c1ccccc1	PC-id_10069343	396.566	WVSDHBVSCWRLHE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156241
O=C(N(C1C2C1CN(C2)CCC=C(C)C)C)C(O)(C1CCCC1)c1ccccc1	PC-id_11545714	396.566	KRTKNTHGLBUJTI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156242
O=C(NC1C2C1CN(C2)CCC=CCC)C(O)(C1CCCCC1)c1ccccc1	PC-id_85095528	396.566	YAHATWIFGCDEMU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-156243
O=C(NC1C2C1CN(C2)CCC=C(C)C)C(O)(C1CCCCC1)c1ccccc1	PC-id_9978081	396.566	KAEFRHQCORLOQX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-156244
O=C(NC1C2[C@@H]1CN(C2)CC1CCCCC1)C(O)(C1CCCC1)c1ccccc1	PC-id_68903961	396.566	OQVZJXZZBSJHOQ-VZUXVUPXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-156245
O=C(NC1[C@@H]2[C@H]1CN(C2)CC1CCCCC1)C(O)(C1CCCC1)c1ccccc1	PC-id_10092177	396.566	OQVZJXZZBSJHOQ-PMLGBOFDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-156246
O=C(NC1[C@@H]2[C@H]1CN(C2)CC/C=C/CC)C(O)(C1CCCCC1)c1ccccc1	PC-id_10023678	396.566	YAHATWIFGCDEMU-IUHGBOISSA-N	00100010000010110000010000000000000000000000000000000000	22-01-156247
CCc1ccc(cc1)CN1CC2C(C1)C2CNc1ccc(cc1)Cc1ccccc1	PC-id_69040742,SCHEMBL4430245	396.567	WHOJMOSYQIQJLA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156248
C/C=CC(=C/C(=C)C1(C#N)CCN(CC1)Cc1cc2c(/c(=C/C=C)/c/1=CC)C2=C)C	PC-id_144217315	396.567	WAZUCWUHTSXLIK-RTPXBVKUSA-N	00100000000010100000010000000000000000000000000000000000	22-01-156249
CN(c1sc(cc1C(=O)N1CCS(=O)(=O)CC1)C(C)(C)C)CC12CC1C2	PC-id_143241106	396.567	IMBQAQNJEOKTEC-UHFFFAOYSA-N	00101000100110000001010000000000000000000000000000000000	22-01-156250
Cc1ccccc1c1ccccc1S(C12C=CC=CC1C2)(c1ccccc1C)C	PC-id_143478086	396.587	LPXYBMPCEVDFPY-UHFFFAOYSA-N	00100000000011110000110000000000000000000000000000000000	22-01-156251
[Si](OC=CC12C(C1C)CC(C2)(C(=O)OCC)C(=O)OCC)(C(C)(C)C)(C)C	PC-id_75079462	396.593	LZOYNYCLJDAWMQ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-156252
[Si](OC=C[C@@]12[C@@H]([C@H]1C)CC(C2)(C(=O)OCC)C(=O)OCC)(C(C)(C)C)(C)C	PC-id_44604373	396.593	LZOYNYCLJDAWMQ-QINHECLXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-156253
[Si](OCCC12OC1C(O)CCC2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85134787	396.595	BFMLVNCUQVDARX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156254
[Si](OCC[C@@]12O[C@@H]1[C@H](O)CCC2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10408465	396.595	BFMLVNCUQVDARX-CQOQZXRMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156255
CCCCCCCCCCCCCCOC(=O)C1CC2OC2(CC1OCC)C	PC-id_59735585,SCHEMBL13935400	396.604	LBDUJKRNZICGCX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-156256
CCCC(CCC(=O)CC1C(CCCCC2CC2C1=O)CC)c1ccc(cc1)C	PC-id_91012850	396.605	IVDVOGXGHPHJDQ-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-156257
C[C@@H]1[C@H](CC[C@@H]2[C@H]([C@@H]1S(=O)(=O)c1ccccc1)O2)O[Si](C(C)(C)C)(C)C	PC-id_101200593	396.616	RJGUXSTZKXLCNT-RSRPTUBKSA-N	00100000000000110100010000000000000000000000000000000000	22-01-156258
CC1(C2C1(CC=C(C2)CCOC1CCCCO1)O[Si](C)(C)C(C)(C)C)CO	PC-id_134835369	396.636	DDGLNIZXRMGHFN-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-156259
OC[C@]1(C)[C@H]2[C@@]1(CC=C(C2)CCOC1CCCCO1)O[Si](C(C)(C)C)(C)C	PC-id_101792290	396.636	DDGLNIZXRMGHFN-NDUCAMMLSA-N	00100000000011000000010000000000000000000000000000000000	22-01-156260
[Si](OC1C2OC2C=CC(=O)OC(CCCCCCCC1)C)(C(C)(C)C)(C)C	PC-id_73801286	396.636	JGJZASWIPAVXSF-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-156261
[Si](O[C@@H]1[C@@H]2O[C@H]2C=CC(=O)O[C@@H](CCCCCCCC1)C)(C(C)(C)C)(C)C	PC-id_15737219	396.636	JGJZASWIPAVXSF-XODKDNOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-156262
[Si](O[C@@H]1[C@H]2O[C@@H]2C=CC(=O)O[C@@H](CCCCCCCC1)C)(C(C)(C)C)(C)C	PC-id_15737220	396.636	JGJZASWIPAVXSF-BNDYYXHWSA-N	00100000000000000110010000000000000000000000000000000000	22-01-156263
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[Si](OC(CC(=O)C12C(C1(C)C)C(O)(CC2)C)CCCCC)(C(C)(C)C)(C)C	PC-id_85371324	396.679	MXYOMRAKVIWJQC-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-156268
[Si](OC(CC(=O)[C@]12[C@H](C1(C)C)[C@](O)(CC2)C)CCCCC)(C(C)(C)C)(C)C	PC-id_11025696	396.679	MXYOMRAKVIWJQC-ALMKZJQGSA-N	00100010000010000000010000000000000000000000000000000000	22-01-156269
[Si](OC1(CC2OC2C1)CCCCCCCCCCCCCCCC)(C)(C)C	PC-id_85403009	396.722	WHOPKPGQKGSFBS-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-156270
[Si](OC1(C[C@H]2O[C@H]2C1)CCCCCCCCCCCCCCCC)(C)(C)C	PC-id_11112074	396.722	WHOPKPGQKGSFBS-VSGJHWFKSA-N	00100010000000000000010000000000000000000000000000000000	22-01-156271
[Si](OC1C2C(C2C=C(C1O[Si](C(C)(C)C)(C)C)C)(C)C)(C(C)(C)C)(C)C	PC-id_15790050	396.755	CMZHDODMRDGXEA-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-156272
[Si](O[C@H]1[C@@H]2C([C@@H]2C=C([C@H]1O[Si](C(C)(C)C)(C)C)C)(C)C)(C(C)(C)C)(C)C	PC-id_10739556	396.755	CMZHDODMRDGXEA-MKXGPGLRSA-N	00100000000011000000010000000000000000000000000000000000	22-01-156273
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Cc1cccc(CC(=O)NCC2[C@H]3CN(C(=O)[C@H]4C[C@@H]4C(F)F)C[C@H]23)c1Cl	ZINC22_2325794805	396.859	RVDSEFVJYIWJHG-WMHQRMGPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156275
Cc1cccc(CC(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C(F)F)C[C@H]23)c1Cl	ZINC22_2325794804	396.859	RVDSEFVJYIWJHG-UVPYHEFZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156276
COCCOCC(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137400287,SCHEMBL20631992	396.865	FYNBUDPXBRQWIR-BACDZXNISA-N	00100010000010110000010000000000000000000000000000000000	22-01-156277
[C@@]1(/C(=CC=C/CCCC(=O)OC)/C(=O)[C@@]2([C@H]1O2)Cl)(C/C=CCCCCC)O	LipidBank_3793,LMFA03120012,CMNPD3401,LipidBank_45899	396.905	VQTGQBDTRZNQSB-ZKVKOFCJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-156278
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CCCCC/C=CC[C@]1(O)/C(=C/C=CCCCC(=O)OC)/C(=O)[C@]2([C@H]1O2)Cl	PC-id_101110152	396.905	VQTGQBDTRZNQSB-IDBUDUQSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-156281
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Cl[C@]12O[C@H]1[C@@](O)(C(=CC=CCCCC(=O)OC)C2=O)CC=CCCCCC	PC-id_11257995	396.905	VQTGQBDTRZNQSB-PCCBWWKXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-156283
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Clc1c(COc2ccc(C=NNC(=O)[C@@H]3[C@@]4([C@H]3CCCC4)C)cc2)cccc1	PC-id_5657971	396.91	WTHGNZFUARPIKT-WPYKKVEZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156287
Clc1c(COc2ccc(C=NNC(=O)[C@@H]3[C@]4([C@@H]3CCCC4)C)cc2)cccc1	PC-id_6595418	396.91	WTHGNZFUARPIKT-KJXAQDMKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-156288
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CCO[Si](CCCNC(=O)OCC1C2C1CCC#CCC2)(OCC)OCC	EMOLS-id_337848858,PC-id_164577510	397.228	PNCQAUNOJQZSKL-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-156326
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ClC12OC1(C=C(OCOCCOC)C(=C2Cl)OCOCCOC)C=C	PC-id_18359067,SCHEMBL7951998	397.248	HYFKBFBQVQBYAD-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-156328
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COC1=C(OCc2ccccc2)C(=CC2C1(OC)C2)CNCC1CCC(CC1)C	PC-id_142231055	397.55	VYRDOBSFVBDKBK-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-156523
O(CC1C2C1CN(C2)CCC=C(C)C)C(=O)Cc1c(O)c(C2CCCC2)ccc1	SCHEMBL4887368,PC-id_69229651	397.55	OXVSDRHUOTYWFN-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-156524
O(CC1C2C1CN(C2)CCC=C(C)C)C(=O)C(O)(C1CCCC1)c1ccccc1	PC-id_10386119,SCHEMBL4619067	397.55	UTWWDIBQEAJEIG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156525
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O(CC1C2C1CN(C2)CC=C(C)C)C(=O)C(O)(C1CCCCC1)c1ccccc1	PC-id_10475943	397.55	YIUIMSLLPGKBST-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-156526
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OC(C1CCCC1)(C(=O)NCNC1C2C1CN(C2)CC=C(C)C)c1ccccc1	PC-id_73309167	397.554	IIEGZEXWJJOWHN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156534
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CCCCC(C12CN(CC1C2)C(CC(O)(C)C)(C)C)(CC(CCC)(P)C)C	PC-id_143368677	397.618	RYYJOTYVZSCHOU-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-156541
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Br[C@]12[C@H](C1(Br)Br)CC[C@H]2Br	PC-id_11338480	397.728	MFLFMUFGMDBSQX-WDCZJNDASA-N	00100010000010000000010000000000000000000000000000000000	22-01-156543
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Cc1nc(cs1)C=C(C12CCOCCCCCCCCCCCC1O2)Cl	PC-id_91079121	398.002	FEPUQSHYVQRYLA-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-156550
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C[C@@]12C[C@H](N([C@@H]1C2)C(=O)O)C(=O)Nc1nc(cc(c1)C(=O)OC)Br	PC-id_135319063,SCHEMBL20488953	398.209	XVHOUVWLAABGCI-QQXLSSBLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-156564
CC(CC1=CC(=CC=C1)OC)/C=C(C=C(/C)C(=O)NC)/C(=O)NC2C3C2COC3	PC-id_155238163	398.221	ZRESUVFDVMPCCE-NHGVWPIDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156565
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C1CCCCCCCC2C(O2)OC(CCCCCCC1)OC(=O)CCC(=O)O	PC-id_153711997	398.267	YKJLJGYDOZPOQL-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-156573
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CC(C)CCCC(C)CCC/C(=C/COC(C12CC1C(C(C2O)CO)O)O)/C	PC-id_163606587	398.303	HCIGVJSKWGRMKL-GZTJUZNOSA-N	00100010000010000000010000000000000000000000000000000000	22-01-156578
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Fc1cncc(c1)Nc1cc(NC2C3C2COC3)nc(n1)c1cccc(n1)Cl	PC-id_117816617,SCHEMBL16392214	398.821	OJHMVKSDQFYCJT-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-156764
CC(C)(C)OC(=O)N1C(CC2(C1C2)CO)C(=O)N(Cc1cc(ccc1)Cl)F	PC-id_88922123	398.856	AJVYYHMMRAMKQU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156765
Clc1c(F)c([C@H](NC(=O)[C@H]2N(C[C@@H]3[C@H]2C3)C(=O)OC(C)(C)C)CO)ccc1	PC-id_68283800,SCHEMBL12480243	398.856	BODOGSNPKYKLOS-AEKOTVAKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156766
Clc1c(F)c([C@H](NC(=O)[C@H]2N(C[C@H]3[C@@H]2C3)C(=O)OC(C)(C)C)CO)ccc1	SCHEMBL12479963,PC-id_68283613	398.856	BODOGSNPKYKLOS-JPYFCXBMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156767
Clc1c(F)c([C@H](NC(=O)[C@@H]2N(C[C@H]3[C@@H]2C3)C(=O)OC(C)(C)C)CO)ccc1	SCHEMBL12480486,PC-id_68283971	398.856	BODOGSNPKYKLOS-PNEXNCLXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156768
Clc1c(F)c([C@H](NC(=O)[C@H]2N([C@H]3[C@H](C3)C2)C(=O)OC(C)(C)C)CO)ccc1	PC-id_68283751,SCHEMBL12480181	398.856	CFOHJMCMBBLNPE-QZKOUSHUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156769
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Clc1c(F)c(C(NC(=O)C2N(CC3C2C3)C(=O)OC(C)(C)C)CO)ccc1	PC-id_77462501	398.856	BODOGSNPKYKLOS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156772
Clc1c(F)c(CNC(=O)[C@H]2N([C@@H]3[C@@](C3)(C2)CO)C(=O)OC(C)(C)C)ccc1	PC-id_68283128,SCHEMBL12479203	398.856	YMMIEXCZNKKADZ-CKFHNAJUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156773
Clc1c(F)c(CNC(=O)[C@H]2N([C@H]3[C@](C3)(C2)CO)C(=O)OC(C)(C)C)ccc1	PC-id_68283738,SCHEMBL12480163	398.856	YMMIEXCZNKKADZ-KSMMKXTCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-156774
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CCC1OC1CC(OC(=O)C1(CCC2C(C1C)O2)CC1CCC2C(C1)O2)Cl	SCHEMBL8543169,PC-id_54029283	398.921	LEKOKTWGTUEQHK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-156783
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Clc1cc(CN(CC2C3C2CN(C3)CC2CC2)C(=O)c2ncn(c2)C)ccc1	SCHEMBL709866,PC-id_66775514	398.929	LYQKWZQQEMVURT-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-156785
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CCN1CC2C(C1)C2CN(C(=O)c1ncn(c1)C(C)C)Cc1cccc(c1)Cl	PC-id_69665595,SCHEMBL6104110	400.945	UQMUBDPKZJHVMB-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-157141
COC(=O)C(C1C2C1CC(C2)OS(=O)(=O)C)NC(=O)C3=CC=C(C=C3)Cl	PC-id_153289035	401.07	RVXQTFBSYHDLEK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157142
COC(=O)C(C1[C@H]2[C@@H]1CC(C2)OS(=O)(=O)C)NC(=O)C3=CC=C(C=C3)Cl	PC-id_153288819	401.07	RVXQTFBSYHDLEK-OTHKPKEBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157143
CC1=C(N=C(C=C1)Br)CC(=O)[C@@H]2C[C@]3(C[C@H]3N2)CN4C=C(N=N4)C=C	PC-id_160600550	401.085	RRHWYAOJQKRPSL-LESCRADOSA-N	00100010100000101001010000000000000000000000000000000000	22-01-157144
CCOC(=O)[C@H]1[C@H]2[C@@H]1[C@@](C[C@@H]2SC3=NCC=N3)(C(=O)OCC4=CC=CC=C4)N	PC-id_161821883	401.141	XVIBDNQPKDMYBI-YPTDYUDTSA-N	00100011000010110001010000000000000000000000000000000000	22-01-157145
CCC(=O)C1=NN(C(=C1)C(=O)NC2[C@H]3[C@@H]2CC(C3)O)[C@@H](C)C4=CC=C(C=C4)Cl	PC-id_160836351	401.151	SHLNURMZYQWVAU-VVFVPGEFSA-N	00100010100010110001010000000000000000000000000000000000	22-01-157146
CC1[C@@H]2[C@H]1C=CC(C2)[I](C)CC(C)NC1CC=CC1(C)C	PC-id_163783395	401.158	MQNIGDRCJDVTKC-PVGHXWSTSA-N	00100011000011000000010000000000000000000000000000000000	22-01-157147
CCC(C1C2C1CC(C2)NC3=C(C=CC(=C3)F)N)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153289114	401.167	ZBOXQMLVQDPYGF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157148
CCC(C1[C@H]2[C@@H]1CC(C2)NC3=C(C=CC(=C3)F)N)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153288967	401.167	ZBOXQMLVQDPYGF-MAOBNTDNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157149
Brc1c(C(NCC)C2C3C2CCCC3)cc(Br)c(c1)C	PC-id_81630262	401.179	ZEQSHKKMOWBUPK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157150
Brc1c(C(NCCC)C2C3C2CCC3)cc(Br)c(c1)C	PC-id_81630367	401.179	NTEDTLWXDOQROP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157151
CC(OC(=O)[C@H]1[C@@H]2[C@]1([C@@H]([C@H](C2)F)N)C(=O)O)OC(=O)OC3CCCCCCC3	PC-id_154014882	401.185	YDWFTKVMYTVWFX-GPKCYAHGSA-N	00100010000010000100010000000000000000000000000000000000	22-01-157154
Ic1c(OC2C3OC3CC(=C2)C(=O)NCCO)cccc1	PC-id_3538533	401.196	AEFITXFSOYYFDF-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-157155
Ic1c(O[C@@H]2[C@H]3O[C@H]3CC(=C2)C(=O)NCCO)cccc1	PC-id_6717293	401.196	AEFITXFSOYYFDF-MELADBBJSA-N	00100000000011110000010000000000000000000000000000000000	22-01-157156
c1cc(c(cc1CO[C@@H]1[C@H]([C@H]2[C@@H]([C@H]2[C@@]1(C(=O)O)N)C(=O)O)N=[N+]=[N-])Cl)Cl	PC-id_134137754,BindingDB_PC-id_134137754	401.201	TUENOOLCQKCDDB-ANYOLZDRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157157
CCOC(=O)[C@@H]1C[C@]2(C[C@H]2N1C(=O)OC(C)(C)C)CCC(=O)C(CC=C)(F)F	PC-id_161915372	401.201	FMJXKDQCJSXDCX-KSMMKXTCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-157158
[Sn](OC1C2C(C2)CCC1)(CCCC)(CCCC)CCCC	PC-id_71390107	401.205	SLSHRIFUQMKQLE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-157159
CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@H]2[C@@H]1C2)OC3=C(C(=CN=C3)OC)C4=CC(=NN4)N	PC-id_164938341	401.206	WQFNKMUEYIIYSU-OPDFLTKYSA-N	00100010100010101001110000000000000000000000000000000000	22-01-157160
C[C@@]12C[C@H](N[C@@H]1C2)C(=O)Nc1c(ccc(n1)Br)CN1CC(C1)(F)F	PC-id_135317673,SCHEMBL20487469	401.249	IWOUIVUWQYOMOB-RWSFTLGLSA-N	00101010000000101000010000000000000000000000000000000000	22-01-157161
CC(C)C(=O)N1CC2C(C1C(=O)NC(CC3CCC(CC3=O)(C)C)C#N)C2(C)C	PC-id_160496051	401.268	RYESJBUFFFYSIU-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-157162
CCOC(=O)C1C2C1C(C(C2)OCc1cc(c(cc1)Cl)Cl)C(=O)OCC	SCHEMBL20309426,PC-id_135160631	401.281	HWDOFCJTBRIBOU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157163
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl	ZINC22_253416642	401.303	XQKWLHKGNHNKJZ-MPGHIAIKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157164
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl	ZINC22_253416643	401.303	XQKWLHKGNHNKJZ-RLFYNMQTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157165
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl	ZINC22_253416644	401.303	XQKWLHKGNHNKJZ-RVKKMQEKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157166
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl	ZINC22_253416645	401.303	XQKWLHKGNHNKJZ-VKJFTORMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157167
CC(C(C(=O)N1CCC2(C(C1)C2(Cl)Cl)C)NC(=O)c1ccccc1F)C	EMOLS-id_76007194,PC-id_121555854,MCULE-6975620968	401.303	XQKWLHKGNHNKJZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157168
Brc1ccccc1/C=N/NC(=O)C1C2CC/C=C/CC/C=CCCC12	TIMTEC113026,EMOLS-id_6748689,SPECS-id_AG-205/36871024	401.34	CXSVWIBMCMBREG-WSMYKONCSA-N	00100000000000110110010000000000000000000000000000000000	22-01-157169
Brc1c(C=NNC(=O)C2C3C2CCC=CCCC=CCC3)cccc1	PC-id_3959146	401.34	CXSVWIBMCMBREG-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-157170
Brc1c(/C=N/NC(=O)C2C3C2CC/C=C/CCC=CCC3)cccc1	PC-id_9599864	401.34	CXSVWIBMCMBREG-ZQHGBHJQSA-N	00100000000000110110010000000000000000000000000000000000	22-01-157171
Brc1c(C=NNC(=O)C2[C@H]3[C@H]2CCC=CCCC=CCC3)cccc1	PC-id_11891543	401.34	CXSVWIBMCMBREG-KUBVQFIISA-N	00100000000000110110010000000000000000000000000000000000	22-01-157172
Brc1c(C=NNC(=O)C2[C@H]3[C@H]2CC/C=C/CCC=CCC3)cccc1	PC-id_11892020	401.34	CXSVWIBMCMBREG-IQIZIXNVSA-N	00100000000000110110010000000000000000000000000000000000	22-01-157173
Brc1c(C=NNC(=O)C2[C@@H]3[C@@H]2CC/C=C/CCC=CCC3)cccc1	PC-id_11893663	401.34	CXSVWIBMCMBREG-ZQLLGFCXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-157174
Brc1c(C=NNC(=O)C2[C@@H]3[C@@H]2CCC=CCCC=CCC3)cccc1	PC-id_20024068	401.34	CXSVWIBMCMBREG-IJXZTRCJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-157175
Brc1c(C=NNC(=O)C2[C@@H]3[C@H]2CCC=CCCC=CCC3)cccc1	PC-id_6750314	401.34	CXSVWIBMCMBREG-UFRUDQCGSA-N	00100000000000110110010000000000000000000000000000000000	22-01-157176
Brc1c(C=NNC(=O)C2[C@H]3[C@@H]2CC/C=C/CCC=CCC3)cccc1	PC-id_7284911	401.34	CXSVWIBMCMBREG-NZJUBBNISA-N	00100000000000110110010000000000000000000000000000000000	22-01-157177
C12CCC=CCCC=CCCC1C2C(=O)N/N=C/c1ccccc1Br	MCULE-1017995659,PC-id_56691529	401.34	CXSVWIBMCMBREG-LMBXFOECSA-N	00100000000000110110010000000000000000000000000000000000	22-01-157178
O=C(C1C2C1CC/C=C/CCC=CCC2)N/N=Cc1ccccc1Br	PC-id_145920416	401.34	CXSVWIBMCMBREG-OXLUGTDDSA-N	00100000000000110110010000000000000000000000000000000000	22-01-157179
O=C(C1[C@@H]2[C@H]1CC/C=C/CC/C=C/CC2)N/N=Cc1ccccc1Br	PC-id_92401441	401.34	CXSVWIBMCMBREG-ITQDLUNGSA-N	00100000000000110110010000000000000000000000000000000000	22-01-157180
O=C([C@@H]1[C@H]2[C@@H]1CC/C=C/CC/C=CCC2)N/N=C/c1ccccc1Br	CoCoCo_1934632	401.34	CXSVWIBMCMBREG-RYULXKJISA-N	00100000000000110110010000000000000000000000000000000000	22-01-157181
O=C(N/N=C/c1ccccc1Br)C1[C@H]2CCC=CCCC=CCC[C@H]12	ZINC22_4380337	401.34	CXSVWIBMCMBREG-RXCOCCLISA-N	00100000000000110110010000000000000000000000000000000000	22-01-157182
Fc1ccc(cc1)NC(=O)C1=CC=CC(=C2C1C2)Oc1cccc(c1)C(F)(F)F	PC-id_142057102	401.354	ALLYIRJHWDOISC-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-157183
O1[C@@]2([C@H]1[C@H](NC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]2OC(=O)C)COC(=O)C	PC-id_14018185	401.365	CGRRCVHLIZTGKS-IZKTWJBDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-157184
F[C@]1(C2C1CC(OCc1cc(Oc3ccccc3)ccc1)C2(N)C(=O)O)C(=O)O	PC-id_49823801	401.385	HNMYCSRCDSCLRO-LTUUKXNJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157185
FC1(C2C1CC(OCc1cc(Oc3ccccc3)ccc1)C2(N)C(=O)O)C(=O)O	PC-id_72772555	401.385	HNMYCSRCDSCLRO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157186
N[C@@]1(C(=O)O)[C@H](OCc2cccc(Oc3ccccc3)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	PC-id_11258119,CHEMBL188425,BindingDB_PC-id_11258119	401.385	HNMYCSRCDSCLRO-ZUKOONMSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157187
CNC(=O)c1cc(cc(n1)C(c1ccccc1)O)C(=O)NC1C2C1CC(C2)(F)F	SCHEMBL19662921	401.407	MPFHMLCEXVDNQU-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-157188
CNC(=O)c1cc(cc(n1)C(c1ccccc1)O)C(=O)N[C@@H]1[C@@H]2[C@H]1CC(C2)(F)F	SCHEMBL19661905	401.407	MPFHMLCEXVDNQU-GHJHHLCSSA-N	00100010000010111000010000000000000000000000000000000000	22-01-157189
O1C2C1C(=O)C=C(NC(=O)c1c(OC(=O)CCCCC)cccc1)C2OC(=O)C	PC-id_66561533	401.41	GEMBIDUIKMOTRN-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-157190
C[C@H](C(=O)N[C@@H]1[C@H]2CCCN(C(=O)c3ccc(C(=O)N)[nH]3)[C@@H]12)N1C(=O)CCC1=O	ZINC22_1875322575	401.416	XJKKMTKRCRSALI-DJUAPZDMSA-N	00100010110010000000010000000000000000000000000000000000	22-01-157191
C[C@H](C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)c3ccc(C(=O)N)[nH]3)[C@@H]12)N1C(=O)CCC1=O	ZINC22_1875322576	401.416	XJKKMTKRCRSALI-GYHMKYFYSA-N	00100010110010000000010000000000000000000000000000000000	22-01-157192
C[C@H](C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)c3ccc(C(=O)N)[nH]3)[C@H]12)N1C(=O)CCC1=O	ZINC22_1875322578	401.416	XJKKMTKRCRSALI-SRDTZFQFSA-N	00100010110010000000010000000000000000000000000000000000	22-01-157193
C[C@H](C(=O)N[C@H]1[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C(=O)N)[nH]1)N1C(=O)CCC1=O	ZINC22_1875322577	401.416	XJKKMTKRCRSALI-HKBFDHSMSA-N	00100010110010000000010000000000000000000000000000000000	22-01-157194
O=C(C(N1C(=O)CCC1=O)C)NC1C2C1N(CCC2)C(=O)c1ccc([nH]1)C(=O)N	EMOLS-id_324067120,PC-id_146097433,MCULE-5651165819	401.416	XJKKMTKRCRSALI-UHFFFAOYSA-N	00100010110010000000010000000000000000000000000000000000	22-01-157195
CCC[C@@H]([C@H]1C[C@H]([C@@H]2[C@H]1[C@@H]2C)C(=O)CBr)C(CC(CCC)(O)C)C	SCHEMBL21265044,PC-id_139407754	401.421	MBCDGSVMFSQDED-XONRGSGJSA-N	00100010000010000000010000000000000000000000000000000000	22-01-157196
CC(CNC(=O)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F)O	PC-id_69472186,SCHEMBL5516112	401.423	YVMNUEGDELCPJD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157197
COCCNC(=O)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F	PC-id_69468335,SCHEMBL5506760	401.423	JLJBTBDHDRYKOK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157198
C1C2C(C2CNCc2cc(ccc2)OC(F)(F)F)CN1Cc1cccc(c1)C#N	SCHEMBL15967190,PC-id_90353512	401.425	PPZIRPXCVFMMHR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157199
FC(F)(F)Oc1cc(CNCC2C3C2CN(C3)Cc2ccc(cc2)C#N)ccc1	PC-id_69470185,SCHEMBL5510877	401.425	HPBSHHHEPSQOAF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157200
CC(OC(=O)[C@@H]1C2[C@@H]1[C@]([C@H](C2)F)(N)C(=O)O)OC(=O)OC1CCC(CC1)(C)C	SCHEMBL19177798	401.427	DQLCMHUFJNTTAG-LNJCJERXSA-N	00100010000010000000010000000000000000000000000000000000	22-01-157201
CC(OC(=O)[C@H]1C2[C@@H]1[C@]([C@H](C2)F)(N)C(=O)O)OC(=O)OC1CCC(CC1)(C)C	SCHEMBL19177799	401.427	DQLCMHUFJNTTAG-FZZQPFMQSA-N	00100010000010000000010000000000000000000000000000000000	22-01-157202
CC(OC(=O)[C@H]1[C@H]2[C@@H]1[C@]([C@H](C2)F)(N)C(=O)O)OC(=O)OC1CCC(CC1)(C)C	PC-id_72550546,SCHEMBL16610518	401.427	DQLCMHUFJNTTAG-DAZXVCSTSA-N	00100010000010000000010000000000000000000000000000000000	22-01-157203
CC(OC(=O)[C@H]1[C@H]2[C@@H]1[C@]([C@H](C2)F)(N)C(=O)O)OC(=O)OC1CCCCCCC1	SCHEMBL16610504,PC-id_117987510	401.427	JMABNKOYRUOMTJ-WOQHTDBYSA-N	00100010000010000100010000000000000000000000000000000000	22-01-157204
Cc1noc(c1)c1c(C)c(ccc1S(=O)(=O)C)C(=O)C1C(=O)CC2C(C1=O)C2	PC-id_70284179,SCHEMBL8134147	401.433	NOXBCUNCKNYIBL-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-157205
Fc1c(c2nc(NC3C4(C3CN(C4)C(=O)O)C(C)(C)C)n(c(=O)c2)C)ccnc1	PC-id_77289895	401.435	JZBBTPNCQLSEEW-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-157206
Fc1c(c2nc(NC3C4C3CN(C4)C(=O)OC(C)(C)C)n(c(=O)c2)C)ccnc1	SCHEMBL13046452,PC-id_59576951	401.435	HFOBMRRIIPHVDG-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-157207
Fc1c(c2nc(NC3[C@@H]4[C@H]3CN(C4)C(=O)OC(C)(C)C)n(c(=O)c2)C)ccnc1	PC-id_67425500	401.435	HFOBMRRIIPHVDG-MPYYAJLASA-N	00100010000000101001110000000000000000000000000000000000	22-01-157208
Fc1c(c2nc(N[C@@H]3[C@@]4([C@@H]3CN(C4)C(=O)O)C(C)(C)C)n(c(=O)c2)C)ccnc1	SCHEMBL2485155,PC-id_67425499	401.435	JZBBTPNCQLSEEW-ADYAMRHXSA-N	00100010000000101001110000000000000000000000000000000000	22-01-157209
O=C(N1C[C@@H]2[C@H](C1)[C@H]2Nc1nc(cc(=O)n1C)c1ccncc1F)OC(C)(C)C	SCHEMBL2485156	401.435	HFOBMRRIIPHVDG-LAQFHYBYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-157210
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccco1	SCHEMBL14056374,PC-id_89237728	401.436	SVJKPHCZUAWKQC-UHFFFAOYSA-N	00100010101000110000010000000000000000000000000000000000	22-01-157211
C=CC1CC(=CC2C1N2C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O	PC-id_88112387	407.504	BUDDTBPJUSGKNR-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-158519
OC(=O)[C@]1(N)[C@H](SCc2ccccc2c2ccccc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	PC-id_11475103,SCHEMBL5094983	401.451	ZYKJJWCFDLRIGS-ZUKOONMSSA-N	00100010000010110000110000000000000000000000000000000000	22-01-157212
S(C1C(N)(C2C(C2(F)C(=O)O)C1)C(=O)O)Cc1c(cccc1)c1ccccc1	PC-id_72975857	401.451	ZYKJJWCFDLRIGS-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-157213
C=CCOC(=O)NC1(CCC2C1C2C(=O)OCc1c(C)cc(cc1C)C)C(=O)O	SCHEMBL5845057,PC-id_69587838	401.453	PDQXEHRMRWANKX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157214
C=CCOC(=O)N[C@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)OCc1c(C)cc(cc1C)C)C(=O)O	PC-id_69587939,SCHEMBL5845592	401.453	PDQXEHRMRWANKX-JVGYHMDPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157215
O1C2C1(C(=O)NC2CCO)C(=O)C(=CC=CC=CC(=CC(=CC)C(=O)OC)C)C	PC-id_72958123	401.453	LMKCFCSUYUONLY-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-157216
O1[C@H]2[C@@]1(C(=O)N[C@H]2CCO)C(=O)/C(=C/C=C/C=C/C(=C/C(=CC)C(=O)OC)/C)/C	PC-id_11429526	401.453	LMKCFCSUYUONLY-GDXRGNGFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-157217
OC(=O)C1C2C1CCC2(NC(=O)OCC=C)C(=O)OCc1c(cc(cc1C)C)C	PC-id_23569534	401.453	GDUAFQCKBHNLNV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157218
OC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]2(NC(=O)OCC=C)C(=O)OCc1c(cc(cc1C)C)C	PC-id_58630902	401.453	GDUAFQCKBHNLNV-JVGYHMDPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157219
CC1=C(N=C(C2C1C2)OC(=C)c1ccccc1)OC(=O)C1=CC2CC2C(=C1)C(=O)C	PC-id_143056333	401.454	XGYBMFNUEASSMF-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-157220
Cc1sc(O)nc1C(=O)N1CCN(C(=O)C/C=C/c2ccccc2F)[C@H]2C[C@@H]12	ZINC22_2325841256	401.455	LQTCTKIXDWZBDR-INCBCAAFSA-N	00100000100010110001010000000000000000000000000000000000	22-01-157221
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S(=O)(=O)(C1(S(=O)(=O)c2ccccc2)CC2(C(C2)C1)C(=C)C)c1ccccc1	PC-id_85734614	402.527	NNCPWSVNOGCOSF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157539
O=C([C@](c1ccccc1)(C1=CCCC1)O)NCC1C2C1CN(C2)Cc1ccccc1	PC-id_69313413,SCHEMBL5106045	402.529	QBMROAMFCUERMF-WCINTBDISA-N	00100011000000110000010000000000000000000000000000000000	22-01-157540
O=C([C@](c1ccccc1)(C1=CCCC1)O)NC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	SCHEMBL4135583	402.529	QBMROAMFCUERMF-SRNFOCHHSA-N	00100011000000110000010000000000000000000000000000000000	22-01-157541
O=C(NCC1C2C1CN(C2)Cc1ccccc1)C(O)(C1=CCCC1)c1ccccc1	PC-id_11200474	402.529	QBMROAMFCUERMF-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-157542
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O(CC1C2C1CN(C2)Cc1cc(OCC)c(OC)cc1)CCCN1CCCCC1	PC-id_73028876	402.57	OZDHYNPBRKVGMN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157555
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CC(c1cccc(c1NC1(C)CCC2C(C1=O)(NC(=O)S)C2(C)C)C(C)C)C	PC-id_140362761	402.593	BARNKKBYYOOGGV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157557
[Si](Oc1ccc(CCOC(=O)C[C@@H]2C[C@H]3O[C@H]3/C/2=C/C)cc1)(C(C)(C)C)(C)C	PC-id_71770720	402.599	ZZVHFDINEBGPBS-OIDYNRRHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157558
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CCC(CCC(C)(C)S)COC(=O)C1CC2C(S2)(CC1C(=O)OCC)C	PC-id_90179401,SCHEMBL15744275	402.612	SNTAEQZWWLJPSJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-157563
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[Si](OC1(C2OC2(CCC1)C=O)C#CC=CC#C[Si](C)(C)C)(CC)(CC)CC	PC-id_85305832	402.675	BHSWRWQZMSZUCG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-157566
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CCCC(CC)C(C)C(C)C(C)C12CC1C2CC1CC1CC(C)C(CC)C(C)C	PC-id_91131478	402.739	ZQXLPTPYUCGOSS-UHFFFAOYSA-N	00101000000000000000010000000000000000000000000000000000	22-01-157568
[Si](C1([Si](C(C)C)(C(C)C)C(C)C)c2c1cccc2)(C(C)C)(C(C)C)C(C)C	PC-id_13667746	402.804	LNXKNZGFTPGRHO-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-157569
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Fc1cc(OCC2CC3CC3C2)c(Cl)cc1C(=O)NS(=O)(=O)N1CCC1	BindingDB-id_281997,BindingDB_PC-id_91809387,PC-id_91809387,SCHEMBL16448525	402.868	DWDKHLLQQPTRGJ-UHFFFAOYSA-N	00101010000010110000010000000000000000000000000000000000	22-01-157571
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CNC(=O)c1nn(c(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1C[C@@H](C2)O)[C@H](c1cccc(c1)Cl)C	SCHEMBL20488194	402.875	OBUUYZANEKZKPZ-HLMGLICBSA-N	00100010100010110001010000000000000000000000000000000000	22-01-157576
CNC(=O)c1nn(c(c1)C(=O)N[C@@H]1[C@@H]2[C@H]1C[C@H](C2)O)[C@H](c1cccc(c1)Cl)C	SCHEMBL20488703	402.875	OBUUYZANEKZKPZ-FAMUUCDKSA-N	00100010100010110001010000000000000000000000000000000000	22-01-157577
Clc1ccc(cc1c1ccc(nn1)NC1C2C1CN(C2)CC1CCOCC1)F	PC-id_139371082,SCHEMBL21224650	402.893	QFJLETHKVQVNRO-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157578
Clc1ccc(cc1c1ccc(nn1)NC1[C@@H]2[C@H]1CN(C2)CC1CCOCC1)F	SCHEMBL21224639,PC-id_139371072	402.893	QFJLETHKVQVNRO-QRTHJKPMSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157579
Clc1ccc(cc1c1ccc(nn1)N[C@@H]1[C@H]2[C@@H]1CN(C2)CC1CCOCC1)F	SCHEMBL21224781	402.893	QFJLETHKVQVNRO-UPHUGPLXSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157580
Clc1c(F)cccc1c1ccc(nn1)NC1C2C1CN(C2)CC1CCOCC1	PC-id_139371139,SCHEMBL21224716	402.893	QHLLFYIIMGGIRK-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157581
Clc1c(F)cccc1c1ccc(nn1)NC1[C@@H]2[C@H]1CN(C2)CC1CCOCC1	SCHEMBL21224947,PC-id_139371320	402.893	QHLLFYIIMGGIRK-GWTOYCKXSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157582
Clc1c(F)cccc1c1ccc(nn1)N[C@@H]1[C@H]2[C@@H]1CN(C2)CC1CCOCC1	SCHEMBL21224970	402.893	QHLLFYIIMGGIRK-VPTLXERWSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157583
Fc1cccc(c1c1ccc(nn1)NC1C2C1CN(C2)CC1CCOCC1)Cl	PC-id_139371324,SCHEMBL21224951	402.893	QAJQVOXBBAPQCX-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157584
Fc1cccc(c1c1ccc(nn1)NC1[C@@H]2[C@H]1CN(C2)CC1CCOCC1)Cl	SCHEMBL21225101,PC-id_139371430	402.893	QAJQVOXBBAPQCX-YLQYIJTPSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157585
Fc1ccc(c(c1)Cl)c1ccc(nn1)NC1C2C1CN(C2)CC1CCOCC1	SCHEMBL21225385,PC-id_139371649	402.893	TVPKPMAHUNWJLM-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157586
Fc1ccc(c(c1)Cl)c1ccc(nn1)NC1[C@@H]2[C@H]1CN(C2)CC1CCOCC1	SCHEMBL21225257,PC-id_139371551	402.893	TVPKPMAHUNWJLM-QRTHJKPMSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157587
Fc1ccc(c(c1)Cl)c1ccc(nn1)N[C@@H]1[C@H]2[C@@H]1CN(C2)CC1CCOCC1	SCHEMBL21225451	402.893	TVPKPMAHUNWJLM-UPHUGPLXSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157588
CC(CCN1CC2C(C1)C2NCc1ccc(nn1)c1cc(F)ccc1Cl)(C)C	PC-id_139371089,SCHEMBL21224658	402.936	YGCGBILYLITCOY-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-157589
CC(CCN1C[C@@H]2[C@H](C1)C2NCc1ccc(nn1)c1cc(F)ccc1Cl)(C)C	PC-id_139371224,SCHEMBL21224827	402.936	YGCGBILYLITCOY-HTZLVSCSSA-N	00100010000000110001110000000000000000000000000000000000	22-01-157590
CC(CCN1C[C@@H]2[C@@H](C1)C2NCc1ccc(nn1)c1cc(F)ccc1Cl)(C)C	SCHEMBL21224657,PC-id_139371088	402.936	YGCGBILYLITCOY-QZTJIDSGSA-N	00100010000000110001110000000000000000000000000000000000	22-01-157591
CC(CCN1C[C@@H]2[C@H](C1)[C@H]2NCc1ccc(nn1)c1cc(F)ccc1Cl)(C)C	SCHEMBL21224823	402.936	YGCGBILYLITCOY-WGMWDUQUSA-N	00100010000000110001110000000000000000000000000000000000	22-01-157592
CC(CCN1C[C@@H]2[C@H](C1)[C@@H]2NCc1ccc(nn1)c1cc(F)ccc1Cl)(C)C	SCHEMBL21224825	402.936	YGCGBILYLITCOY-RMFSNUHRSA-N	00100010000000110001110000000000000000000000000000000000	22-01-157593
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BrC1(Br)C2C1N(C(=O)CC2C)Cc1ccc(OC)cc1	PC-id_18687124,SCHEMBL7798828	403.109	SVZXWTANYCFIOI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157598
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BrC1(Br)[C@H]2[C@@H]1N(C(=O)C[C@@H]2C)Cc1ccc(OC)cc1	PC-id_10894715	403.109	SVZXWTANYCFIOI-FZZIBODNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157601
BrC1(Br)[C@@H]2[C@H]1N(C(=O)C[C@@H]2C)Cc1ccc(OC)cc1	PC-id_11036861	403.109	SVZXWTANYCFIOI-QCZZGDTMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157602
C[C@]12CCN(C[C@H]1C2(Br)Br)C(=O)OCc1ccccc1	EMOLS-id_331269217	403.109	LZFNWECLAURUKP-OCCSQVGLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157603
C1C2[C@]1(CN(C2)C#N)NC(=O)C3=NC=C(S3)C4=C(C=CN=C4)OC5=CC=CC=C5	PC-id_153559694	403.11	ZYHJLIFYNFREHY-YNNZGITBSA-N	00100010100000111001110000000000000000000000000000000000	22-01-157604
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CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=NC(=NC=C3F)C)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517116	403.146	TWVCFCRGHMXLJX-DXFLCJIMSA-N	00100010000010110001010000000000000000000000000000000000	22-01-157607
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[Sn](C1C2C1COC2OC)(CCCC)(CCCC)CCCC	PC-id_85375500	403.178	KFIUXCJWRIJRLF-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-157609
[Sn]([C@H]1[C@@H]2[C@H]1CO[C@H]2OC)(CCCC)(CCCC)CCCC	PC-id_11036862	403.178	KFIUXCJWRIJRLF-ZOPBSDICSA-N	00100010000000000000010000000000000000000000000000000000	22-01-157610
C1C[C@@H]2[C@H](C1)C2C(=O)NC3=NC=CC(=C3)C4=CC(=C(C=C4)OC5CCOCC5)C#N	PC-id_153117168	403.19	VUCUZLGPBXZAMQ-DETIRCLXSA-N	00100010000010111000110000000000000000000000000000000000	22-01-157611
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CC1=CC(=C(C=C1)CN2CC3C(C2)C3C[N-]CC4=CC(=CC=C4)OC(F)(F)F)C	PC-id_154218563	403.2	PKEGHWXXVFKISA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157613
CCC1=CC=C(C=C1)CN2CC3C(C2)C3C[N-]CC4=CC(=CC=C4)OC(F)(F)F	PC-id_154254660	403.2	VOPYMQFWKAFBRA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157614
Cc1c(ncnc1I)OCC12CCN(CC1C2)C(=O)OC	PC-id_89023254,SCHEMBL13144344	403.215	OGNDUXQLHWWYPY-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-157615
C[C@H]1CCCC/C=CCC2[C@@H](O2)C[C@H](OC(=O)CC1)/C(=C/C3=CSC(=N3)C)/C	PC-id_149154705	403.218	RNMVOVWMCIZMPG-NECHULBLSA-N	00100000100000000111010000000000000000000000000000000000	22-01-157616
CC1(CCC2C(C1)O2)CC3(C4C(O4)CCC3(C)C(=O)[O-])CC5(CCC6C(C5)O6)C	PC-id_150196850	403.249	FOPYFVOOHJFJHD-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-157617
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O1C2C1CC(C(C2)C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C	PC-id_85528672	410.587	MSRBMXXSDKGEMO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-159204
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Cc1c(nc(cc1)Br)NC(=O)[C@@H]1C[C@]2(C[C@H]2N1)CNS(=O)(=O)C	PC-id_135318487,SCHEMBL20488321	403.295	DVEKKAJPEHHRNR-RBZYPMLTSA-N	00100010000000101000010000000000000000000000000000000000	22-01-157620
ClC(=CC1C2(C1(C2C(=O)OCc1cc(Oc2ccccc2)ccc1)C)C)Cl	PC-id_54187391	403.298	PGARPVJJVIDPJI-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-157621
Fc1c(cc(NC(=O)c2c(NCc3c4Oc4ncc3)cccc2)cc1)C(F)(F)F	PC-id_10201159	403.33	CHCSICFDTMRYAT-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-157622
Brc1c(F)cc(NCC2C3C2CN(C3)Cc2ccc(cc2)CC)cc1	SCHEMBL4417595,PC-id_69035609	403.331	ULHICZRVKSZTTF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157623
CCCC1C[C@@H](CCC2C(C2C1)C)[C@@H](C)[C@H]1CCCC(CC(=C1)C[N+](=O)[O-])CC	PC-id_164118688	403.345	YDNHPTHPXDZTDI-BDYFETOPSA-N	00100000000000000110010000000000000000000000000000000000	22-01-157624
O=C(Nc1nnc(c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCC[C@H]2[C@@H]1C2(F)F	ZINC22_2325823085	403.37	FAURKWZIXVJPEP-GRYCIOLGSA-N	00100000100010110001110000000000000000000000000000000000	22-01-157625
O=C(Nc1nnc(c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCC[C@@H]2[C@@H]1C2(F)F	ZINC22_2325823086	403.37	FAURKWZIXVJPEP-IJLUTSLNSA-N	00100000100010110001110000000000000000000000000000000000	22-01-157626
O=C(Nc1nnc(c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCC[C@@H]2[C@H]1C2(F)F	ZINC22_2325823087	403.37	FAURKWZIXVJPEP-UTUOFQBUSA-N	00100000100010110001110000000000000000000000000000000000	22-01-157627
O=C(Nc1nnc(c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCC[C@H]2[C@H]1C2(F)F	ZINC22_2325823088	403.37	FAURKWZIXVJPEP-WOPDTQHZSA-N	00100000100010110001110000000000000000000000000000000000	22-01-157628
Fc1ccc(C(OC2C(N)(C3C(C3C(=O)O)C2)C(=O)O)c2ccc(F)cc2)cc1	PC-id_72971452	403.376	VLHCKZSMJGUSGX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157629
Fc1ccc(C(O[C@H]2[C@](N)([C@H]3[C@H]([C@@H]3C(=O)O)C2)C(=O)O)c2ccc(F)cc2)cc1	PC-id_11463810	403.376	VLHCKZSMJGUSGX-AHZRMZFZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157630
C[C@@]1(C[C@H]2[C@H](C2(C)C)C[C@H]1/[N+](=[N+](/[C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(C)Cl)[O-])/[O-])Cl	PC-id_137302986	403.386	NQVAYBVDYSJNSS-FPKSXNRRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-157631
FC1(C2C1CC(OCC=C)C2(N=[N+]=[N-])C(=O)OCc1ccccc1)C(=O)OCC	PC-id_72802701	403.404	KYXRRLQBYMENMT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157632
F[C@]1([C@@H]2[C@H]1C[C@@H](OCC=C)[C@@]2(N=[N+]=[N-])C(=O)OCc1ccccc1)C(=O)OCC	PC-id_11327128	403.404	KYXRRLQBYMENMT-WVPQZDDBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157633
[O-][N+](=O)c1ccc(nc1)Sc1nnc(n1c1ccccc1)COc1ccc2-c1c2	SCHEMBL16410004,PC-id_117829600	403.414	CAALBAXOIVZEFX-UHFFFAOYSA-N	00110010100000111001110000000000000000000000000000000000	22-01-157634
N#Cc1cc(C)cc(c1)C(=O)c1n(CC23C=NC=NC2C3)c(=O)[nH]c(=O)c1C(C)C	PC-id_143620756	403.434	JYACUAHVTLKFRW-UHFFFAOYSA-N	00100000000011110001010000000000000000000000000000000000	22-01-157635
CCCC(CC([C@@H](C(=O)N1[C@H](C#N)CC2C1[C@H]2C)NC(=O)C(F)(F)F)(C)C)O	PC-id_143117272	403.439	LOMQPOHQRZELMC-ZQVJEIINSA-N	00100010000000000000010000000000000000000000000000000000	22-01-157636
CC1CN(CC2(C1C2C(=O)O)COC1CCOCC1)C(=O)OCc1ccccc1	PC-id_67790266,SCHEMBL9186722	403.469	YKQHZIROPIZEOK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157637
c1ccc(cc1)COC1C(OCc2ccccc2)CN2C([C@@H]1OCc1ccccc1)C2	SCHEMBL18671780	415.524	YAQYNZWRWQKDKU-MFWQVEAISA-N	00100000000010110000010000000000000000000000000000000000	22-01-160079
CC=C(CO)C=C(C)C=C(C)C=CC=C(C)C(=O)C12C(O1)C(NC2=O)(CCO)O	PC-id_91820337	403.469	ASBKGJSDHSLXIL-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-157638
CCOC(=O)C1C2C1(CN(CC2)C(=O)OCc1ccccc1)C(=O)OC(C)(C)C	SCHEMBL9184325,PC-id_67789895	403.469	QDSODIOAXMIYSQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157639
COC(=O)[C@@H]1[C@@H]2[C@H]1N(C(=O)OC(C)(C)C)C(O[C@@H]2CC(=O)c1ccccc1)(C)C	PC-id_101071911	403.469	UAFQQTSNTBJJPB-BRSBDYLESA-N	00100000000010110001010000000000000000000000000000000000	22-01-157640
O1C(C2C(N(C1(C)C)C(=O)OC(C)(C)C)C2C(=O)OC)CC(=O)c1ccccc1	PC-id_73820058	403.469	UAFQQTSNTBJJPB-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-157641
O1[C@H]([C@@H]2[C@H](N(C1(C)C)C(=O)OC(C)(C)C)[C@H]2C(=O)OC)CC(=O)c1ccccc1	PC-id_21670322	403.469	UAFQQTSNTBJJPB-XSLAGTTESA-N	00100000000010110001010000000000000000000000000000000000	22-01-157642
O(CC12C(C1C)C(CN(C2)C(=O)OCc1ccccc1)C(=O)O)C1CCOCC1	SCHEMBL9206144,PC-id_67794376	403.469	IGUIGUDIONCVCT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157643
O(CC1N(CC2C(C2C)C1C(=O)O)C(=O)OCc1ccccc1)C1OCCCC1	SCHEMBL9185133,PC-id_20089915	403.469	WPFWFBYDDNRVRX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157644
OC(=O)C1C2C1C(C)C(N(C2)C(=O)OCc1ccccc1)COC1CCCCO1	PC-id_20089921,SCHEMBL9186720	403.469	KSBLVIUMTJQOIH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157645
Fc1cccc(c1)c1ccc(cn1)C(=O)NC1C2[C@@H]1CN(C2)S(=O)(=O)C(C)C	PC-id_143699562	403.47	IABWDPXCBMYAAN-MUYFXNHWSA-N	00100010000000111000110000000000000000000000000000000000	22-01-157646
Fc1cccc(c1)c1ccc(cn1)C(=O)NC1[C@@H]2[C@H]1CN(C2)S(=O)(=O)C(C)C	PC-id_59743621,SCHEMBL2070749	403.47	IABWDPXCBMYAAN-JJTKIYQPSA-N	00100010000000111000110000000000000000000000000000000000	22-01-157647
Fc1cccc(c1)c1ccc(cn1)C(=O)N[C@@H]1[C@@H]2[C@H]1CN(C2)S(=O)(=O)C(C)C	SCHEMBL2070744	403.47	IABWDPXCBMYAAN-DZFIZOCASA-N	00100010000000111000110000000000000000000000000000000000	22-01-157648
Fc1cccc(c1)c1ccc(cn1)C(=O)N[C@@H]1[C@H]2[C@@H]1CN(C2)S(=O)(=O)C(C)C	SCHEMBL2070746	403.47	IABWDPXCBMYAAN-IZZQQSIFSA-N	00100010000000111000110000000000000000000000000000000000	22-01-157649
S(=O)(=O)(N1CC2C(C2NC(=O)c2ccc(nc2)c2cc(F)ccc2)C1)C(C)C	PC-id_72372972	403.47	IABWDPXCBMYAAN-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-157650
NCCCCCCNC(=O)CCCOC1OC(CO)C(C2(C1N2C(=O)C)O)O	SCHEMBL18474308	403.471	SWRKCBZXUSVVCE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-157651
N#Cc1cc(ccc1OC1CCOCC1)c1cccc(c1)NC(=O)[C@@H]1[C@@H]2[C@H]1CNC2	SCHEMBL18998625	403.474	GPBZLYNPVXUACZ-SGRGSNTQSA-N	00100010000010110000110000000000000000000000000000000000	22-01-157652
ONC(=O)CCCCCCC(=O)N1CCN(CC1)CC(=O)NN1c2c1cccc2	PC-id_140512875	403.475	CFLILWPUUSCDMO-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-157653
Cc1nc(c(cc1)c1ncccn1)C(=O)N1CC2CC2CC1CN=C(NC=C)N=C	PC-id_90698702	403.48	ASXRBYCRFAGFNZ-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-157654
O=C(NCc1nc([nH]n1)C)C1C2C1CN(C2)Cc1cnc(nc1)c1c(cccc1)C	PC-id_76439886	403.48	MTAKMNRVPYAORA-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-157655
O=C(NCc1nc([nH]n1)C)C1[C@H]2[C@@H]1CN(C2)Cc1cnc(nc1)c1c(cccc1)C	PC-id_56915814	403.48	MTAKMNRVPYAORA-UFRUDQCGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-157656
OCCOPOCCOCCOCCOCC[C@H]1C2C1(C)CCC=CCC2	PC-id_144551788	404.478	RNIUHBAAJNVMQD-GPJFCIFZSA-N	00100000000000000110010000000000000000000000000000000000	22-01-157813
CC(Oc1ccc(cc1N1CCN(CC1)CCCN1C(=O)C2C(C1=O)(C2)C)F)C	SCHEMBL4527557,PC-id_11668536	403.49	SMZZPFKJOORNOC-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157657
[C@H]1(CN2CCC(CC2)N2CC(COc3ccc(cc3)F)OCC2=O)[C@H]2[C@@H]1CNC2	EMOLS-id_324139354,MCULE-8271989297	403.49	JDBPGSHMERMMKD-UQIMPDFKSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157658
Fc1ccc(cc1)OCC1OCC(=O)N(C1)C1CCN(CC1)CC1[C@@H]2[C@H]1CNC2	PC-id_146041021	403.49	JDBPGSHMERMMKD-JWEZTNTCSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157659
O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(C[C@@H]2[C@H]3CNC[C@@H]23)CC1	ZINC22_1857678231	403.49	JDBPGSHMERMMKD-CGXNFDGLSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157660
O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(C[C@@H]2[C@H]3CNC[C@@H]23)CC1	ZINC22_1857678232	403.49	JDBPGSHMERMMKD-UWHLTILDSA-N	00100010000010110001110000000000000000000000000000000000	22-01-157661
[Na+].S1[C@@H]2[C@H]1C[C@H](NS(=O)(=O)c1ccccc1)[C@H]2C/C=CCCCC(=O)[O-]	CHEMBL2114158	403.491	OPDVYNHHOSXMRJ-QNZSOFMOSA-M	00100010000000110000010000000000000000000000000000000000	22-01-157662
CS/C=C/C(=O)N[C@]12C[C@H]1CN(C(=O)c1cc(c3ccc(F)cc3)ns1)C2	ZINC22_2325872059	403.494	GONXIBFMUBOXBY-CDNSIRFLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-157663
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)N1CCCCC1	SCHEMBL14054872,PC-id_89236458	403.495	HFXBOFWZGKUGOW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157664
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1cccc(c1)C(=O)N1CCCCC1	SCHEMBL14054910,PC-id_89236486	403.495	JBWDBHDEUGNEHU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157665
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[Si](OCC12OC1C(=O)C(=CC2=O)NC(=O)c1c(O)cccc1)(C(C)(C)C)(C)C	PC-id_11327135	403.501	RYSSHVRKNFFVSH-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-157667
BrC(C12OC1CCC2O[Si](C(C)(C)C)(C)C)C#C[Si](C)(C)C	PC-id_72971458	403.502	CIVAKIILZRXGQB-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-157668
Br[C@@H]([C@]12O[C@H]1CC[C@H]2O[Si](C(C)(C)C)(C)C)C#C[Si](C)(C)C	PC-id_11463822	403.502	CIVAKIILZRXGQB-DLTWYDFYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-157669
CC(C1(CN(CC1c1cc(c(cc1)OC)OCC1C2C1CCC2)C(C=O)O)C)O	PC-id_88173485	403.512	QQXSOEAFQSZVFG-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-157670
CC(C)(C)OC(=O)N1C(CC2(C1C2)CCCCCOCc1ccccc1)C(=O)O	PC-id_135318701,SCHEMBL20488546	403.512	JESBAGPGNXPPCJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157671
O(C1C2C1CCCC2)c1cc(C2C(CN(C2)C(=O)CO)(C(O)C)C)ccc1OC	PC-id_78038363	403.512	OVJCPUSJNCJHOS-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-157672
O(C1C2C1CCCC2)c1cc([C@H]2[C@@](CN(C2)C(=O)CO)([C@H](O)C)C)ccc1OC	SCHEMBL14611885,PC-id_71215379	403.512	OVJCPUSJNCJHOS-RCYXTSDPSA-N	00100010000010110000110000000000000000000000000000000000	22-01-157673
O(CC1C2C1CCC2)c1cc(C2C(CN(C2)C(=O)CO)([C@H](O)C)C)ccc1OC	PC-id_69415242,SCHEMBL5355379	403.512	CQUSGQRVHCERSD-YREPLLFRSA-N	00100010000010110000110000000000000000000000000000000000	22-01-157674
O(CC1C2C1CCC2)c1cc(C2C(CN(C2)C(=O)CO)([C@@H](O)C)C)ccc1OC	SCHEMBL5355370,PC-id_69415238	403.512	CQUSGQRVHCERSD-BSXKYCEVSA-N	00100010000010110000110000000000000000000000000000000000	22-01-157675
O(CC1C2C1CCC2)c1cc(C2C(CN(C2)C(=O)CO)(C(O)C)C)ccc1OC	PC-id_22246544	403.512	CQUSGQRVHCERSD-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-157676
O(CC1C2C1CCC2)c1cc([C@H]2[C@@](CN(C2)C(=O)CO)([C@H](O)C)C)ccc1OC	SCHEMBL5355373,PC-id_22096374	403.512	CQUSGQRVHCERSD-ZITBNNHESA-N	00100010000010110000110000000000000000000000000000000000	22-01-157677
OCCCCC[C@@]12C[C@H](N([C@@H]1C2)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	PC-id_142420895	403.512	FAPDUYQROZSKEA-YYDVJCTNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157678
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CC/C(=C(c1ccc(cc1)OCC[N+](C)(C)[O-])/C1=CC2C(C=C1)O2)/c1ccccc1	PC-id_101688098	403.513	VNDNSJFAJVVFCD-RWEWTDSWSA-N	00100000000011110000010000000000000000000000000000000000	22-01-157680
COC(=O)[C@H]1[C@@H]2[C@]1(CN(C2)S(=O)(=O)c1ccc(cc1)C)C(=C)c1cccs1	PC-id_101172415	403.515	ZGTRYZYMUQELKD-POAQFYNOSA-N	00100010100100110000010000000000000000000000000000000000	22-01-157681
CCCCN(C(=O)C1[C@H]2CN(CC(F)(F)F)C[C@H]12)C1CC(C)(C)NC(C)(C)C1	ZINC22_2325827460	403.525	GTIPJAIYOWRBJG-HOTGVXAUSA-N	00100010000010000000010000000000000000000000000000000000	22-01-157682
CCCCN(C(=O)C1[C@@H]2CN(CC(F)(F)F)C[C@@H]12)C1CC(C)(C)NC(C)(C)C1	ZINC22_2325827461	403.525	GTIPJAIYOWRBJG-HZPDHXFCSA-N	00100010000010000000010000000000000000000000000000000000	22-01-157683
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OC(COc1ccc(cc1)N(C(=O)NCCC1C2C1CCC2)C)CNC(C)(C)C	PC-id_145797817	403.558	AHTUCATVKDVRCD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157687
CCNC(=O)NCC(c1ccccc1)(c1ccccc1)C[C@H]1C[C@H]2C(C1)(N2C)C=C	PC-id_143036650	403.56	UTCHRWNFPBWIJL-NTRRVYDUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157688
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s1cc(nc1C)/C=C(/C1OC(=O)CCC(CCCCC=CCC2OC2C1)C)C	PC-id_20755441	403.578	RNMVOVWMCIZMPG-HGKDOFNSSA-N	00100000100000000111010000000000000000000000000000000000	22-01-157691
s1cc(nc1C)/C=C(/C1OC(=O)CC[C@H](CCCCC=CCC2OC2C1)C)C	PC-id_59497966	403.578	RNMVOVWMCIZMPG-WYGQDBCUSA-N	00100000100000000111010000000000000000000000000000000000	22-01-157692
s1cc(nc1C)/C=C(/[C@H]1OC(=O)CC[C@H](CCCCC=CC[C@H]2O[C@H]2C1)C)C	PC-id_59871679	403.578	RNMVOVWMCIZMPG-IJMWMYLESA-N	00100000100000000111010000000000000000000000000000000000	22-01-157693
NC(=O)C(c1ccccc1)(c1ccccc1)CC1C2C1C[N+](C2)(C)CCC=C(C)C	PC-id_25120364,SCHEMBL4788327	403.58	MYBXVFLEAZSOOI-UHFFFAOYSA-O	00100010000010110000010000000000000000000000000000000000	22-01-157694
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CO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2S[C@@H]12	ZINC22_104077075,PC-id_98511350	404.521	JORMVECOVONDLI-CJRSTVEYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157858
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OC(=O)N(c1ccccc1c1cccs1)CC12CN(CC2C1)Cc1ccccc1	SCHEMBL4237342,PC-id_68969218	404.525	IJNDOEGLOXRJCB-UHFFFAOYSA-N	00100010100100110000110000000000000000000000000000000000	22-01-157868
OC(=O)N(c1ccccc1c1cccs1)CC1C2C1CN(C2)Cc1ccccc1	SCHEMBL4244155,PC-id_68972298	404.525	IBVZDJBUHLUJFQ-UHFFFAOYSA-N	00100010100100110000110000000000000000000000000000000000	22-01-157869
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s1c(c2c(NC(=O)OCC3C4C3CN(C4)Cc3ccccc3)cccc2)ccc1	PC-id_15983506	404.525	MTOJHUQJXGDTTJ-UHFFFAOYSA-N	00100010100100110000110000000000000000000000000000000000	22-01-157871
n1c(csc1NC[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)C(C)c1ccccc1)c1ncccc1	CHEMBL1209159	404.528	LJNHBXNRZZXHQP-BSUDQKQGSA-N	00100010100000111001110000000000000000000000000000000000	22-01-157872
n1c(csc1NC[C@H]1[C@H]2[C@@H]1CN(C2)C(=O)CCc1ccccc1)c1ncccc1	CHEMBL1209161	404.528	PGTODXDQJMSMLR-LDLYASANSA-N	00100010100000111001110000000000000000000000000000000000	22-01-157873
n1c(csc1NC[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)CCc1ccccc1)c1ncccc1	CHEMBL1209162	404.528	PGTODXDQJMSMLR-REPLKXPHSA-N	00100010100000111001110000000000000000000000000000000000	22-01-157874
O=C(C(c1ccccc1)C)N1C[C@@H]2[C@H](C1)C2CNc1scc(n1)c1ccccn1	PC-id_49862239,BindingDB_PC-id_49862239	404.528	LJNHBXNRZZXHQP-XPYVTTBUSA-N	00100010100000111001110000000000000000000000000000000000	22-01-157875
O=C(N1C[C@@H]2[C@H](C1)C2CNc1scc(n1)c1ccccn1)CCc1ccccc1	BindingDB_PC-id_49862241,PC-id_49862241	404.528	PGTODXDQJMSMLR-YQQQUEKLSA-N	00100010100000111001110000000000000000000000000000000000	22-01-157876
s1c(NCC2C3C2CN(C3)C(=O)C(C)c2ccccc2)nc(c1)c1ncccc1	PC-id_75308698	404.528	LJNHBXNRZZXHQP-UHFFFAOYSA-N	00100010100000111001110000000000000000000000000000000000	22-01-157877
s1c(NCC2C3C2CN(C3)C(=O)CCc2ccccc2)nc(c1)c1ncccc1	PC-id_75308700	404.528	PGTODXDQJMSMLR-UHFFFAOYSA-N	00100010100000111001110000000000000000000000000000000000	22-01-157878
c1ccc(cc1)O[Si](C1CCC2C(C1)O2)(Oc1ccccc1)Oc1ccccc1	PC-id_139775064	404.53	RKODFDFQIVLIIE-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157879
FC1(F)C2(C1CCC2CCCCCC(O)(O)C(=O)OC)CCCCCCCC	PC-id_76441828	404.532	NAWYFDFCANQRPU-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-157880
FC1(F)[C@@]2([C@H]1CC[C@@H]2CCCCCC(O)(O)C(=O)OC)CCCCCCCC	PC-id_57003885	404.532	NAWYFDFCANQRPU-NSHGMRRFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-157881
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CC1CC2OC2CC1CC1C2OC2CC(C1(CC1CC2OC2CC1C)C(=O)O)C	PC-id_23336025,SCHEMBL11413318	404.54	MRSAQZAHLIMRGN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-157883
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O(c1ccc(/C(=C/C3C(C3)(CC(=CC)C2)C)/c2ccccc2)cc1)CCOCCO	PC-id_70869834	404.541	VQKMDAXQQAFOKX-HNVPVLKSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157896
O(c1ccc(C(=C2C3C(C3)(CC(=CC)C2)C)c2ccccc2)cc1)CCOCCO	PC-id_77934627	404.541	VQKMDAXQQAFOKX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157897
OCCOCCOc1ccc(cc1)/C(=C/1C/C(=C/C)/CC2(C1C2)C)/c1ccccc1	SCHEMBL13270236	404.541	VQKMDAXQQAFOKX-MSUTVVSXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157898
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CC(C12CC1CC(C2)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)C	PC-id_101415258	404.543	JSDFWKMRPLKUFF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-157900
CC(C(=O)N1CC2C(C1C(=O)NC(CC1CC1)C(=O)C(=O)C)C2(C)C)C(C)(C)C	PC-id_90455611,SCHEMBL16329052	404.543	NDNPKYDRCLBGKZ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-157901
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S(=O)(=O)(C1(S(=O)(=O)c2ccc(cc2)C)C2C1CCCC2)c1ccc(cc1)C	PC-id_10971482	404.543	OOZARHOGGGWZNR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157907
C1CCCC2CC2CCC(CC1)Cc1cc(c(cc1)O)N=Nc1ccc(cc1)C=O	PC-id_137128580	404.544	OXEHLVOPFAVUGM-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-157908
Cc1cccc(c1)CN1CC2C(C1)C2NC(=O)C(c1ccccc1)(C1CCCC1)O	PC-id_68901443,SCHEMBL4072928	404.544	ZFJQKUHXKSUYIM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157909
Cc1ccccc1CN1CC2C(C1)C2NC(=O)C(c1ccccc1)(C1CCCC1)O	PC-id_68901584,SCHEMBL4073324	404.544	ZVZDDYQIPGXZSR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157910
Cc1cccc(c1)CN1CC2[C@H](C1)[C@H]2NC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4072930	404.544	ZFJQKUHXKSUYIM-RLHRAOMXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157911
Cc1ccccc1CN1CC2[C@H](C1)[C@H]2NC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4073328	404.544	ZVZDDYQIPGXZSR-RLHRAOMXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157912
CC(c1ccccc1)N1CC2C(C1)C2NC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4075994,PC-id_68902588	404.544	NPVRPJQNRSJGJS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157913
CC(c1ccccc1)N1CC2[C@H](C1)[C@H]2NC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4075999	404.544	NPVRPJQNRSJGJS-YTTDBZIZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157914
CC(c1ccccc1)N1C[C@@H]2[C@H](C1)C2NC(=O)C(c1ccccc1)(C1CCCC1)O	BindingDB_PC-id_44443728,PC-id_44443728	404.544	NPVRPJQNRSJGJS-JSQGMYGESA-N	00100010000000110000010000000000000000000000000000000000	22-01-157915
CC(c1ccccc1)N1C[C@H]2[C@H](NC(=O)C(O)(c3ccccc3)C3CCCC3)[C@H]2C1	CHEMBL248809	404.544	NPVRPJQNRSJGJS-VTIXCOLWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-157916
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[Si](OCCC#CC12OC1CCCC2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85435883	404.617	DOYCCLZYPJQMKY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-157955
[Si](OCCC#C[C@@]12O[C@@H]1CCCC2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_12167991	404.617	DOYCCLZYPJQMKY-AOYPEHQESA-N	00100000000010110000010000000000000000000000000000000000	22-01-157956
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CCCCCCC(CC(=C)COC(=O)C1CCC2C(C1)O2)/C=C/CCCCCC	PC-id_101549692	404.626	UMBUYRAOXPKHRN-FYWRMAATSA-N	00100000000010000000010000000000000000000000000000000000	22-01-157958
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[Si](O[Si](C)(C)C)(O[Si](OC[Si](C)C)(C)C)CCC1CC2OC2CC1	PC-id_58271444	404.797	GWTGIOWQPPBCHZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-157965
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OC(C(=O)NCC1C2C1CN(C2)Cc1ccncc1)(C1CCCC1)c1ccccc1	PC-id_10476399	405.533	IGXOUJFPSCKHET-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-158096
OC(C(=O)NCC1C2C1CN(C2)Cc1ncccc1)(C1CCCC1)c1ccccc1	PC-id_9978627	405.533	CCWGECFIRXYZMG-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-158097
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Cc1nc(cs1)C=C(C)C12CCOC(=O)CCCC(=O)CCCCCCC1O2	PC-id_87582393	405.551	HGJNJEMHSFOMGV-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-158105
COC(=O)CCC/C=CC[C@@H]1[C@H](C[C@H]2[C@@H]1C2(C)C)NS(=O)(=O)c1ccccc1	PC-id_101871848	405.551	WMVUQFBNIYGAJU-AHDLZOSASA-N	00100010000010110000010000000000000000000000000000000000	22-01-158106
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C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@H]2NC(=O)[C@@](c1ccccc1)(C1CCCC1)O	GD-id_ZINC15821580	405.552	NPVRPJQNRSJGJS-ZRVFCROXSA-O	00100010000010110000010000000000000000000000000000000000	22-01-158108
O=C([C@@](c1ccccc1)(C1CCCC1)O)N[C@@H]1[C@H]2[C@@H]1C[N@H+](C2)CCc1ccccc1	GD-id_ZINC28956795	405.552	SVUNFPQZKZLWTK-OUJSJNLKSA-O	00100010000010110000010000000000000000000000000000000000	22-01-158109
CCCCCCCCC([C@H]1COC([C@]2([C@@]1(O)C2(C)C)O)OCc1ccccc1)N	PC-id_68636041,SCHEMBL3421097	405.571	XXJBWWZEWANUGB-VCWABYTLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158110
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OC12C(C1(O)C(OCC2CCCCCCCCCN)OCc1ccccc1)(C)C	PC-id_77702405	405.571	SDIQEMKQJQPKGK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158112
OC12C(C1(O)C(OCC2C(N)CCCCCCCC)OCc1ccccc1)(C)C	PC-id_77531183	405.571	XXJBWWZEWANUGB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158113
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C(CCN1CCCCC1)OCC1[C@@H]2[C@H]1CN(C2)Cc1ccc(cc1)c1cccnc1	PC-id_11682888,SCHEMBL5795520	405.576	GKLKJONRIJATSE-IQCGEYIDSA-N	00100010000010111000110000000000000000000000000000000000	22-01-158115
C(CCN1CCCCC1)OC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccc(cc1)c1cccnc1	SCHEMBL5795518	405.576	GKLKJONRIJATSE-GPOLMCQNSA-N	00100010000010111000110000000000000000000000000000000000	22-01-158116
C(CCN1CCCCC1)OC[C@@H]1[C@H]2[C@@H]1CN(C2)Cc1ccc(cc1)c1cccnc1	SCHEMBL5795519	405.576	GKLKJONRIJATSE-OOSCYNTBSA-N	00100010000010111000110000000000000000000000000000000000	22-01-158117
O(CC1C2C1CN(C2)Cc1ccc(cc1)c1cccnc1)CCCN1CCCCC1	PC-id_73060688	405.576	GKLKJONRIJATSE-UHFFFAOYSA-N	00100010000010111000110000000000000000000000000000000000	22-01-158118
[Si](OCCCC1N(CC2OC2C1)C(=O)OCc1ccccc1)(C(C)(C)C)(C)C	PC-id_75090972	405.603	YBBGZBSLONSERD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158119
[Si](OCCC[C@H]1N(C[C@H]2O[C@H]2C1)C(=O)OCc1ccccc1)(C(C)(C)C)(C)C	PC-id_45102920	405.603	YBBGZBSLONSERD-HSALFYBXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158120
Cc1ccc(cc1)S[C@]1(C[C@]([C@H]2[C@@H]1O2)([C@@H](C)O[Si](C)(C)C(C)(C)C)O)[N+]#[C-]	PC-id_134916791	405.626	RAQFKVQXGNNCFR-UVRZSJBRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158121
Cc1nc(nc(c1[2H])C)N(C([C@@]1([2H])N(S(=O)(=O)c2c([2H])c([2H])c(c(c2[2H])[2H])C([2H])[2H])C([2H])([2H])[C@]2([C@](C1([2H])[2H])([2H])C2([2H])[2H])[2H])([2H])[2H])[2H]	SCHEMBL3385566	405.628	NJONIMSVLJLTMV-PVBRSCSCSA-N	00100000000010110001010000000000000000000000000000000000	22-01-158122
S(=O)(=NC)(CC1(O)C2C(C2)CCCCCCCCCCCC1)c1ccccc1	PC-id_74001174	405.637	PKFSDUIZHKGEDF-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-158123
S(=O)(=NC)(CC1(O)[C@@H]2[C@H](C2)CCCCCCCCCCCC1)c1ccccc1	PC-id_10573369	405.637	PKFSDUIZHKGEDF-XMTMCBALSA-N	00100000000000110100010000000000000000000000000000000000	22-01-158124
S(=O)(=NC)(C[C@]1(O)[C@@H]2[C@H](C2)CCCCCCCCCCCC1)c1ccccc1	PC-id_10763828	405.637	PKFSDUIZHKGEDF-KUWINQDBSA-N	00100000000000110100010000000000000000000000000000000000	22-01-158125
S(=O)(=NC)(CC1(O)[C@@H]2[C@@H](C2)CCCCCCCCCCCC1)c1ccccc1	PC-id_22837017	405.637	PKFSDUIZHKGEDF-ISEZIZNBSA-N	00100000000000110100010000000000000000000000000000000000	22-01-158126
S(=O)(=NC)(C[C@]1(O)[C@@H]2[C@@H](C2)CCCCCCCCCCCC1)c1ccccc1	PC-id_22869723	405.637	PKFSDUIZHKGEDF-PKAQVCNDSA-N	00100000000000110100010000000000000000000000000000000000	22-01-158127
[S@@](=O)(=NC)(C[C@]1(O)[C@@H]2[C@H](C2)CCCCCCCCCCCC1)c1ccccc1	PC-id_25038898	405.637	PKFSDUIZHKGEDF-GLIKCIFVSA-N	00100000000000110100010000000000000000000000000000000000	22-01-158128
C1CCC(CC1)C1CCC(CC1)CN(C1C2=C1C2)C1CCC(CC1)C1=CCCC=C1	PC-id_143467628	405.658	XESOPHKCDVGEQE-UHFFFAOYSA-N	00110000000011000000110000000000000000000000000000000000	22-01-158130
C1C=CCC2(C1(C2(Br)Br)Br)Br	PC-id_154145382	405.72	KJHIFSOEXXWISD-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-158131
CCCCCCC(CCCCC)N1C(CCC2C1(C2)C)C(CCCC)CCCC	PC-id_134269880,SCHEMBL19883453	405.743	TUIHKXJGLWNWET-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158132
CCCCCCC(CCCCC)N1C(CCC2[C@@]1(C2)C)C(CCCC)CCCC	SCHEMBL19883378,PC-id_134269807	405.743	TUIHKXJGLWNWET-OYGGZRDRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158133
Clc1cc(CNC(=O)C2N(C3C(C3)C2)C(=O)C(N)CO)c(n2nnnc2)cc1	PC-id_77578861	405.839	GWVJKJAKVFHQET-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-158134
Clc1cc(CNC(=O)[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)[C@H](N)CO)c(n2nnnc2)cc1	PC-id_25154458,SCHEMBL4204855	405.839	GWVJKJAKVFHQET-WRESQXIRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-158135
Clc1cc(CNC(=O)[C@H]2N([C@H]3[C@H](C3)C2)C(=O)[C@H](N)CO)c(n2nnnc2)cc1	PC-id_25154459,SCHEMBL4199829	405.839	GWVJKJAKVFHQET-VHIFSBLJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-158136
Clc1ccc(NC(=O)N2CC3C(C3NCC(=O)N3C(CC(F)C3)C#N)C2)cc1	PC-id_69232095,SCHEMBL4894294	405.854	RHYKFPLJXPHCSG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158137
Clc1ccc(NC(=O)N2CC3C(C3NCC(=O)N3[C@@H](C[C@H](F)C3)C#N)C2)cc1	PC-id_69232099,SCHEMBL4894300	405.854	RHYKFPLJXPHCSG-GRMGVQCTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158138
Clc1ccc(NC(=O)N2C[C@@H]3[C@H](C3NCC(=O)N3C(CC(F)C3)C#N)C2)cc1	PC-id_69122507,SCHEMBL4636028	405.854	RHYKFPLJXPHCSG-AHNOJICISA-N	00100010000000110000010000000000000000000000000000000000	22-01-158139
Cl.[C@H]12[C@](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C)(C(=O)O)CC[C@H]1[C@@H]2C(=O)O	CHEMBL556955	405.874	XRRSRLHSJJSPHT-FSBWBUJBSA-N	00100010000010000000010000000000000000000000000000000000	22-01-158140
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C1CCCC(=O)CCCC(=O)OCCC2(C(O2)CC1)C(=Cc1ccccn1)Cl	PC-id_91553436	405.915	JATJKRVNKDOSCN-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-158142
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CN(CC1CC1)CC(=O)N[C@H]1CC(C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137399727,SCHEMBL20631391	405.918	XQUJIRDSBXTMRA-VVXOGMOBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158144
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O=C(C1CC2C(C1)C2)Nc1cc(Br)ccc1I	PC-id_114259227	406.057	JCMPTKPUAPDAFT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158149
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CC1CC2C(O2)CC1C(C3(CCC4C(C3)O4)C(=O)O)C5(CCC6C(C5)O6)C(=O)O	PC-id_162097869	406.199	ZEMMDOURPZCTMI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158159
CC[C@H](O[C@@H]1C[C@@H]2[C@H]([C@]1(N)C(=O)O)[C@@]2(F)C(=O)O)c1ccc(Cl)c(Cl)c1	BindingDB_PC-id_11177217,PC-id_11177217,CHEMBL185423	406.233	DQUWONNIKAVHTA-WZJDNFATSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158160
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CCOC(=O)[C@@]1(F)[C@H]2C1C(C(C2)OCc1ccc(c(c1)Cl)Cl)(N)C(=O)O	SCHEMBL7070920,PC-id_69977857	406.233	NJERTBCQOZQSJO-DKDWIZBHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158164
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CCOC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	PC-id_69259648,SCHEMBL4964584	406.233	YUKOOAPEJMXBKZ-IBGQVPEUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158167
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Clc1cc(COC2C(N)(C3C(C3(F)C(=O)OCC)C2)C(=O)O)ccc1Cl	PC-id_77155289	406.233	NJERTBCQOZQSJO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158170
Clc1cc(CO[C@H]2C(N)(C3[C@H]([C@]3(F)C(=O)OCC)C2)C(=O)O)ccc1Cl	PC-id_69621146	406.233	NJERTBCQOZQSJO-WCAOCDNGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158171
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CCCCC(CC)(COC(=O)C1CCC2C(C1)O2)COC(=O)C1CCC2C(=C1)O2	PC-id_163683164	406.236	JMNWXFPHQFBWOE-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-158173
CC(=O)CC1=CC=C(C=C1)C2=NN=C(C=C2)NC3[C@H]4[C@@H]3CN(C4)CC5CCOCC5	PC-id_161150652	406.237	UOQBYUDDWQEXPM-SVGJNIJCSA-N	00100010000010110001110000000000000000000000000000000000	22-01-158174
CC(=O)N(C)C(=N[C@@]1(C2C1=CC(CC=C2)C#N)Cc1cc(ccc1)C(C)(C)OC)N	PC-id_164102698	406.237	XQARZGSXNZNKGI-SCPLRKQGSA-N	00100000000000110110010000000000000000000000000000000000	22-01-158175
ICC1C2C1CC(C2)CCc1c(F)c(F)c(OCC)cc1	PC-id_73804210	406.249	LTFPYCSSKYEDHR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158176
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CCO[Si](OCC)(OCC)CCCSCC(C1CCC2(C(C1)S2)C)C	PC-id_140316389	406.719	DABXHRMTIJXDLP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158412
CO[Si](CC[Si](O[Si](CCC1CCC2C(C1)O2)(C)C)(C)C)(OC)OC	SCHEMBL7906151,PC-id_23529570	406.737	BAQDKVAUZAEIKF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158413
C[Si]1(CCC2CCC3C(C2)O3)O[Si](C)(C)O[Si](O[Si](O1)(C)C)(C)C	PC-id_71340540,SCHEMBL15263814	406.769	WXNYWTHOSFSFDY-UHFFFAOYSA-N	00100000000010000101010000000000000000000000000000000000	22-01-158414
C[SiH](CO[Si](O[SiH](O[Si](C)(C)C)CCC1CCC2C(C1)O2)(C)C)C	SCHEMBL12603973	406.813	HRBPCALKWDDZLC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158415
C1C2C1CC(C2)Oc1c(cc(c(c1)F)C(=O)NS(=O)(=O)N1CC(C1)F)Cl	PC-id_90016105	406.832	GUUYUYIJOFLFNH-UHFFFAOYSA-N	00101010000010110000010000000000000000000000000000000000	22-01-158416
FC1CN(C1)S(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)OC1C[C@@H]2[C@H](C1)C2	BindingDB_PC-id_90016105,SCHEMBL15536215	406.832	GUUYUYIJOFLFNH-SLHIUPAKSA-N	00101010000010110000010000000000000000000000000000000000	22-01-158417
FC1CN(C1)S(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3C[C@@H]3C2)cc1F	BindingDB-id_281950,SCHEMBL16448504	406.832	GUUYUYIJOFLFNH-JZYVYDRUSA-N	00101010000010110000010000000000000000000000000000000000	22-01-158418
CNC(=O)c1cc(n(n1)C(c1cc(F)cc(c1)Cl)C)C(=O)NC1[C@@H]2[C@H]1COC2	PC-id_142417914	406.839	HMXFJJYQOUGDOZ-OSRHEPLVSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158419
Brc1cc(NC([C@H]2N[C@H]3[C@@H](C2)C3)O)cc(c1)c1nnnn1C(C)(C)C	SCHEMBL19233864	407.308	QALTUSYGIPQNNQ-ZAZXAQAASA-N	00100010100000110001110000000000000000000000000000000000	22-01-158460
CNC(=O)c1cc(n(n1)[C@H](c1cc(F)cc(c1)Cl)C)C(=O)NC1[C@@H]2[C@H]1COC2	PC-id_142417917	406.839	HMXFJJYQOUGDOZ-RLZFACFASA-N	00100010100000110001010000000000000000000000000000000000	22-01-158420
CNC(=O)c1cc(n(n1)[C@@H](c1cc(F)cc(c1)Cl)C)C(=O)NC1[C@@H]2[C@H]1COC2	PC-id_142418128	406.839	HMXFJJYQOUGDOZ-SOJORNTPSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158421
CNC(=O)c1nn(c(c1)C(=O)NC1[C@@H]2[C@H]1COC2)[C@@H](c1ccc(c(c1)F)Cl)C	PC-id_142418118	406.839	NVMMZVGGELXRTN-JHQXLBQJSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158422
CNC(=O)c1nn(c(c1)C(=O)NC1[C@@H]2[C@H]1COC2)[C@H](c1ccc(c(c1)F)Cl)C	PC-id_142418169	406.839	NVMMZVGGELXRTN-YGYHHQAGSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158423
Clc1ccc(C(OC(=O)C2CC3OC3CC2)OC(=O)C2CC3OC3CC2)cc1	PC-id_20727420	406.857	NDOJQGIAZBHWAI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158424
CCN1CC2C(C1)C2CN(Cc1cc(c(cc1)F)Cl)C(=O)Oc1cn(cn1)C	PC-id_90353517,SCHEMBL15967195	406.882	ZDZKXIVEZDMFMW-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158425
COc1ccc(NC(=O)[C@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1Cl	PC-id_100783388,ZINC22_225948281	406.883	UNKIPXTZJOHDCC-KUHUBIRLSA-N	00100010000000110001010000000000000000000000000000000000	22-01-158426
COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1Cl	ZINC22_225948266,PC-id_100783385	406.883	UNKIPXTZJOHDCC-AUUYWEPGSA-N	00100010000000110001010000000000000000000000000000000000	22-01-158427
COc1ccc(NC(=O)[C@@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1Cl	ZINC22_260840318	406.883	UNKIPXTZJOHDCC-IFXJQAMLSA-N	00100010000000110001010000000000000000000000000000000000	22-01-158428
COc1ccc(NC(=O)[C@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1Cl	ZINC22_260840323	406.883	UNKIPXTZJOHDCC-LIRRHRJNSA-N	00100010000000110001010000000000000000000000000000000000	22-01-158429
CO[C@@H]1CC[C@@]2([C@]1([C@H]2CN=O)I)I	PC-id_163689295	406.888	JROBDNGBFNOVFD-LXGUWJNJSA-N	00100010000010000000010000000000000000000000000000000000	22-01-158430
CC1CC1(C)OCC(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137400288,SCHEMBL20631993	406.903	CLQFSQPHAHXHDU-HDNHRMLLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158431
CC(C1CC1)OCC(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137400289,SCHEMBL20631994	406.903	XUMYSCZQRXWMQM-KJNWOYDSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158432
C1CC2C(O2)CC1CC3(CCC4C(C3(Br)Br)O4)C(=O)[O-]	PC-id_153852620	406.95	DLDJTYMEVXJENK-UHFFFAOYSA-M	00100000000010000000010000000000000000000000000000000000	22-01-158433
C[C@]12C[C@H]1NC(C2)C(=O)N(C3=NC(=C(C=C3CSC)F)Br)Cl	PC-id_153519893	406.987	JAORWGOLWQIXNB-SZTVNRBXSA-N	00100010000000101000010000000000000000000000000000000000	22-01-158434
C[C@@]12C[C@H](N[C@@H]1C2)C(=O)N(C3=NC(=C(C=C3CSC)F)Br)Cl	PC-id_153519897	406.987	JAORWGOLWQIXNB-RBZYPMLTSA-N	00100010000000101000010000000000000000000000000000000000	22-01-158435
CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@]3(C[C@@]3(C2)CO)I	PC-id_162367479	407.005	LMWCYVDMBMUSGF-KGLIPLIRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158436
O=C(c1cc(Br)ccc1I)NC1C2C1CNC2	PC-id_114032600	407.045	LXYPUDXDJGARNF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158437
O=C(c1cc(I)ccc1Br)NC1C2C1CNC2	PC-id_114026156	407.045	ZRZJSTMAALXKQW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158438
CC(=O)OC(C(C1(C2C1(C2)S)O)OC(=O)C)C(=O)NCC3=CC=C(C=C3)C=O	PC-id_147883043	407.104	IAUQXWRJUURART-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-158439
Cc1c(nc(cc1)Br)NC(=O)[C@@H]1C[C@@]2([C@@H](C2C(C)C)N1)COCC=C	PC-id_163721780	407.121	KSEOSIIOFAIKNP-AJGGALHISA-N	00100010000000101000010000000000000000000000000000000000	22-01-158440
C1CC(CC(C1)C(=O)C(F)(F)F)c1ccc(cc1)CCNC1=C2CC2C=CS1	PC-id_163946335	407.153	RVKKKJSCWZTZOD-UHFFFAOYSA-N	00100000000011110000110000000000000000000000000000000000	22-01-158441
CC1=CC(=CC=C1)CC2=NC(=CC(=C2)C(=O)NC3C4C3CN(C4)C(=O)[O-])C(=O)NC	PC-id_153714116	407.172	GIQWLESBKWTEGX-UHFFFAOYSA-M	00100010000000111000010000000000000000000000000000000000	22-01-158442
CC1=C(C=C(C=C1)CN2CC3C(C2)C3C[N-]CC4=CC(=CC=C4)OC(F)(F)F)F	PC-id_154495133	407.175	UVPMGWCJRNUMMR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158443
CC1=C(C=CC(=C1)CN2CC3C(C2)C3C[N-]CC4=CC(=CC=C4)OC(F)(F)F)F	PC-id_154495141	407.175	CPRNKWRSHZQOPW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158444
CC1=NC(=CS1)C=C(C)C23CCOC(=O)CCCC(=O)CCCOCCC2O3	PC-id_153720694	407.177	FJMBTAPCHAMUOO-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-158445
CC(CC1=C(C=C(C=C1)N2C=CC(=NC2=O)N)C(F)(F)F)N3CC4C(C3)C4CN	PC-id_154650231	407.193	UZHNAOCQKPSGFP-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-158446
CC(C1C2C1CC(C2)O[Si](C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O	PC-id_153289133	407.204	INCOCOKNQWDGEB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158447
CCOC(=O)C1C2C1CC(C2)O[Si](C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C	PC-id_153517800	407.204	OWSDHNRXUSBPSW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158448
CCC1=NC(=C(N1)C)CN2CC3C(C2)C3C[N-]CC4=CC(=CC=C4)OC(F)(F)F	PC-id_162169158	407.206	ZNNYOAFWLCBGNN-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158449
Brc1cc(sc1Br)C(NCCC)C1C2C1CCCC2	PC-id_81630364	407.207	ZXDYNTWZQAGAKS-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-158450
Brc1sc(Br)cc1C(NCCC)C1C2C1CCCC2	PC-id_81630236	407.207	DAHVFFHAPOJMDL-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-158451
C=Cc1c(nc(cc1)Br)NC(=O)[C@@H]1C[C@]2(C[C@H]2N1C(=O)O)CN=[N+]=[N-]	PC-id_135319004,SCHEMBL20488890	407.222	LWUJAAZBIVVDAO-WMFXKJRFSA-N	00100010000000101000010000000000000000000000000000000000	22-01-158452
CCC1CCC(CC1)C(=O)NC2=CC(=CC(=C2)C(=O)N3[C@@H](C[C@H]4[C@@H]3[C@H]4C)C#N)CC	PC-id_148371472	407.257	LMKBNTFUTNOHCM-CTDFDWQVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158453
CC1([C@H]2C1CN([C@@H]2C(=O)CC(CC3CC3)C(C(=O)N)O)C(=O)[C@H](C(C)(C)C)N)C	PC-id_161637958	407.278	IFEJUGZIXSZHOC-AAIGDYFGSA-N	00100010000000000000010000000000000000000000000000000000	22-01-158454
CCC(C1(CCCC1)OC(=O)C(C12NC2N1)(NI)C)(C)C	SCHEMBL18603309	407.29	WSMRFTDWNMPQSB-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-158455
Clc1cc(C(=O)N2CC3C(C3NCC(=O)N3C(CCC3)C#N)C2)ccc1Cl	SCHEMBL4636029,PC-id_69122508	407.294	ZPKCPDZLXKOVPH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158456
Clc1cc(C(=O)N2CC3C(C3NCC(=O)N3[C@@H](CCC3)C#N)C2)ccc1Cl	PC-id_69122504,SCHEMBL4636023	407.294	ZPKCPDZLXKOVPH-QKTWGNPWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158457
Clc1c(C(=O)N2CC3C(C3NCC(=O)N3C(CCC3)C#N)C2)ccc(Cl)c1	PC-id_69122080,SCHEMBL4635401	407.294	UYCOLOWVIYWCRB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158458
Clc1c(C(=O)N2CC3C(C3NCC(=O)N3[C@@H](CCC3)C#N)C2)ccc(Cl)c1	PC-id_69230139,SCHEMBL4888814	407.294	UYCOLOWVIYWCRB-VOZVFBJVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158459
CCCC(C)(C)CN(CC)[C@@H]([C@@H]1[C@@H]2C1NN(C(=O)[C@@H]2C)C(=C)[C@@H](CC=C)OC)O	PC-id_163635057	407.315	HZJMEYWFDWNGTH-AEYFSNDNSA-N	00100000000010000001010000000000000000000000000000000000	22-01-158461
CC(=O)OCC12OC1C(N)C(C(C2(O)OC(=O)C)(O)OC(=O)C)(O)OC(=O)C	PC-id_141085284	407.327	GFFRHWCWMJGDJU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158462
CCN1CC2C(C1)C2CN(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)Cl)Cl	PC-id_11952385,SCHEMBL710411	407.337	COHFMAOLODNHPW-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158463
CCN1CC2C(C1)C2CN(C(=O)c1ncn(c1)C)Cc1ccc(cc1Cl)Cl	PC-id_66775311,SCHEMBL709262	407.337	QHCLQWXENVQCPI-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158464
Clc1cc(CN(CC2C3C2CN(C3)CC)C(=O)c2ncn(c2)C)cc(Cl)c1	PC-id_11952209	407.337	OSIGXTQVCIAPOG-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158465
Brc1ccc(cc1)C1CC(C1)NC1C2C1CN(C2)C(=O)OC(C)(C)C	PC-id_113934572	407.345	OVTFFRFSGUHKDP-UHFFFAOYSA-N	00101010000000110000110000000000000000000000000000000000	22-01-158466
O=C([C@@H]1CC2C(N1C(=O)O)C2)NCc1ncnc(c1)c1ccc(nc1)C(F)(F)F	SCHEMBL17959635,PC-id_122439697	407.347	MFAYBMRZTKQJDV-DBRPNBKGSA-N	00100010000000101001110000000000000000000000000000000000	22-01-158467
CC1CC1(C)CCC1C2C1N2C(=O)c1csc(n1)c1c(c(ccc1)Cl)Cl	PC-id_89343257	407.357	FUYULIAGRZYXCI-UHFFFAOYSA-N	00100000100000110001110000000000000000000000000000000000	22-01-158468
CC1C[C@@]1(C)CC[C@@H]1C2[C@@H]1N2C(=O)c1csc(n1)c1cccc(c1Cl)Cl	SCHEMBL14463769	407.357	FUYULIAGRZYXCI-NZZPTYHNSA-N	00100000100000110001110000000000000000000000000000000000	22-01-158469
OCC1OC2N(C2C(C1OC(C1OC(C(=O)O)C(C(C1O)O)O)(C)C)O)C=O	PC-id_144901984	407.37	AEICBPDHDUGZFY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158470
C1C2C(C2CN(Cc2cc(ccc2)OC(F)(F)F)C(=O)Oc2ccccn2)CN1	SCHEMBL15967346,PC-id_90353665	407.386	QQFYKURQQYJMAI-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-158471
CCOC(=O)c1cnn(c1)Cc1ccc(c(c1)C(F)(F)F)CN1CC2C(C1=O)C2	SCHEMBL18816470	407.386	LIQFWOSGZGZAFB-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158472
CCOC(=O)c1cn(nc1C(F)(F)F)Cc1ccc(cc1)CN1CC2C(C1=O)C2	SCHEMBL18818259	407.386	QBCJRDCTLAGCSC-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158473
CCOC(=O)c1cn(nc1C(F)(F)F)Cc1ccc(cc1)CN1C[C@H]2[C@@H](C1=O)C2	PC-id_140939201	407.386	QBCJRDCTLAGCSC-GJZGRUSLSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158474
CCOC(=O)c1cn(nc1C(F)(F)F)Cc1ccc(cc1)CN1C[C@@H]2[C@H](C1=O)C2	PC-id_140939225	407.386	QBCJRDCTLAGCSC-HUUCEWRRSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158475
FC(F)(F)Oc1cc(C(=O)NCC2C3C2CN(C3)Cc2[nH]c(=O)ccc2)ccc1	SCHEMBL5510651,PC-id_69470085	407.386	RQWUAOFUQFGLHW-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-158476
Brc1ccc(cc1)CN1C[C@@H]2[C@H](C1)C2COCCCN1CCCCC1	PC-id_11697154,SCHEMBL5793590	407.388	NNADLXQETCPKDH-WCRBZPEASA-N	00100010000010110000010000000000000000000000000000000000	22-01-158477
Brc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@@H]2COCCCN1CCCCC1	SCHEMBL5793593	407.388	NNADLXQETCPKDH-WKCHPHFGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158478
Brc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@H]2COCCCN1CCCCC1	SCHEMBL5793595	407.388	NNADLXQETCPKDH-AERCQKQUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158479
Brc1ccc(CN2CC3C(C3COCCCN3CCCCC3)C2)cc1	PC-id_73065375	407.388	NNADLXQETCPKDH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158480
Fc1c(CC23C(C2C(=O)O)C(=O)CC3(NC(=O)OC(C)(C)C)C(=O)O)cccc1	PC-id_77261897	407.39	JFDKVDZQILLMIV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158481
Fc1c(C[C@]23[C@@H]([C@H]2C(=O)O)C(=O)C[C@@]3(NC(=O)OC(C)(C)C)C(=O)O)cccc1	SCHEMBL2153143,PC-id_67297346	407.39	JFDKVDZQILLMIV-BBNYVJOESA-N	00100010000000110000010000000000000000000000000000000000	22-01-158482
Fc1c(COC(=O)C2(NC(=O)OC(C)(C)C)C3C(C3C(=O)O)C(=O)C2)cccc1	PC-id_77261895	407.39	CRNNKQLTAQOWQX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158483
Fc1c(COC(=O)[C@@]2(NC(=O)OC(C)(C)C)[C@H]3[C@H]([C@@H]3C(=O)O)C(=O)C2)cccc1	SCHEMBL2153138,PC-id_67297343	407.39	CRNNKQLTAQOWQX-KZDUYQQSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158484
FC1(F)CN(C(=O)CNC2C3C2CN(C3)C(=O)Nc2ccc(F)cc2)C(C1)C#N	SCHEMBL4635080,PC-id_69121870	407.39	PMYSADLREUHBGK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158485
FC1(F)CN(C(=O)CNC2C3C2CN(C3)C(=O)Nc2ccc(F)cc2)[C@@H](C1)C#N	SCHEMBL4894440,PC-id_69232148	407.39	PMYSADLREUHBGK-DPGVGJJJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158486
FC1(F)CN(C(=O)CNC2[C@H]3[C@H]2CN(C3)C(=O)Nc2ccc(F)cc2)C(C1)C#N	SCHEMBL4635257,PC-id_69121962	407.39	PMYSADLREUHBGK-JVIGXAJISA-N	00100010000000110000010000000000000000000000000000000000	22-01-158487
C1C2C1C2COc1c(ccc(n1)C(=O)NC1(CNC1)CC(=O)N)N1CC(C1)(F)F	PC-id_135292404,SCHEMBL20458682	407.414	MOEWZOWKWQSVKZ-UHFFFAOYSA-N	00101000000000101000110000000000000000000000000000000000	22-01-158488
CC1C(C2C(O2)C(C1OC(=O)c1ccccc1)OC(=O)c1ccccc1)CN=[N+]=[N-]	PC-id_89605399	407.419	ZTASMIGITBMONJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158489
[N-]=[N+]=NC[C@@H]1[C@@H](C)[C@H](OC(=O)c2ccccc2)[C@H]([C@H]2[C@@H]1O2)OC(=O)c1ccccc1	SCHEMBL14998801	407.419	ZTASMIGITBMONJ-MIVYGUSISA-N	00100000000010110000010000000000000000000000000000000000	22-01-158490
[N-]=[N+]=NC[C@@H]1[C@@H](C)[C@H](OC(=O)c2ccccc2)[C@H]([C@@H]2[C@H]1O2)OC(=O)c1ccccc1	SCHEMBL14998802	407.419	ZTASMIGITBMONJ-GLMOOOCBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158491
CCC1(NC(=O)C2(C(C1=O)C2(C)C)OCc1ccccc1)C(CCP(=O)O)C	SCHEMBL9810026	407.44	AMOYRLOQISHLAK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158492
s1c(NC(=O)/C=C/C2=C3OC3(CC=C2)CC=C)nc(c2ccc([N+](=O)[O-])cc2)c1	PC-id_25155643	407.442	KTYMPSCBGUMGCM-JXMROGBWSA-N	00100000100011110001110000000000000000000000000000000000	22-01-158493
O=C(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(C(=N)c1cccc(c1F)F)(C)C	PC-id_144745307	407.454	JFIODFVAVRFFRS-NNQSOWQGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158494
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Cl[C@@H]1C[C@@H]2C[C@H]2C[C@H](CN(C1=O)Cc1ccccc1)O[Si](C(C)(C)C)(C)C	PC-id_102250876	408.049	CQVWYVGQRTZWAV-VNTMZGSJSA-N	00100000000000110100010000000000000000000000000000000000	22-01-158577
Cl[C@@H]1C[C@@H]2[C@H](C2)C[C@@H](O[Si](C(C)(C)C)(C)C)CN(C1=O)Cc1ccccc1	PC-id_11315782	408.049	CQVWYVGQRTZWAV-UAFMIMERSA-N	00100000000000110100010000000000000000000000000000000000	22-01-158578
IC(Br)(Br)C1OC(=O)[C@H]2C([C@@H]12)(C)C	PC-id_22817786,SCHEMBL11333292	423.868	FAZZQJHPXGLUJF-OVEKKEMJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-161695
CCC1(CCCC1)OC(=O)COC(=O)C(C)(C12C(N1)N2)I	PC-id_163561491	408.055	FROWGMNYXWPGEJ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-158579
CCCCNCCOC1(C2C1[I-]2)[C@H](C#N)[C@@H](CC)[N+](=O)[O-]	PC-id_153107461	408.079	MLJLUMZHDXYWBZ-UJPKRVMBSA-N	00100000000000000000010000000000000000000000000000000000	22-01-158580
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CCOC(=O)C1=C(C=C(N=C1)C)C(=O)N2[C@@H]3C[C@@H]3C[C@@H]2C(=O)OCC4=CC=CC=C4	PC-id_153240231	408.169	WRHNVLAKFDNVNP-NSISKUIASA-N	00100010000000111000010000000000000000000000000000000000	22-01-158582
COc1cc(CO)ccc1OC1OC2CC2(C(C1O)O)I	SCHEMBL17655547,PC-id_121257703	408.186	HWMODZKQZUGMAP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158583
CC1=NC=CN1/C=C(C=C)/C(=O)NCCC2[C@H]3[C@@H]2CN(C3)C(=O)C4=CC=C(C=C4)F	PC-id_153560003	408.196	NVZIOUIMGSKYKP-ZVFLIEKYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158584
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3CC4CC4CN3C(=O)[O-]	PC-id_161648969	408.2	WZMARCQNGQKEJA-UHFFFAOYSA-M	00100000000010110000010000000000000000000000000000000000	22-01-158585
BrCc1c(O)c(CBr)c2c(c1[Si](C(C)(C)C)(C)C)O2	PC-id_140393696	408.201	ZAUKUAKQYGEGJD-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-158586
C1CC1C2=C(C=CC(=C2)C(F)(F)F)C(=O)N[C@@H]3COCCC3CN4C[C@H]5C[C@H]5C4	PC-id_153657344	408.202	RIMOYYMDSWYZHX-CIUFUOKISA-N	00100010000010110000110000000000000000000000000000000000	22-01-158587
CC(C1(CC1)C)N2C[C@@H]3[C@H](C2)C3C(=O)CCC(=O)NC4=CC=CC(=C4)C(F)(F)F	PC-id_161056289	408.202	UCUJJLNICKPCLW-FOELVNDASA-N	00100010000000110000010000000000000000000000000000000000	22-01-158588
CC(C1[C@H]2[C@@H]1CC(C2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(=O)O	PC-id_153315597	408.212	BJENSHWZAYAEKB-HJYJYCABSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158589
CC1(C2C1(CN([C@@H]2C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C(=O)OC(C)(C)C)F)C	PC-id_165179486	408.217	WSMWNSRVXZPZEO-WQPFVVPSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-158590
CC1=CC(=CC=C1)NC(=N[C@H]2CCCCN(C2=O)CC(=O)N3CC4CC4C3)NC#N	PC-id_154428196	408.227	KLBYFJMRSXJDOV-TVPLGVNVSA-N	00100010000000110100010000000000000000000000000000000000	22-01-158591
CC(=O)c1[nH]nc(c1I)c1ccc(cc1)OC1CC2C(C1)C2	SCHEMBL19533582	408.234	VBVLDBXOWCUSEB-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-158592
CC[Si](CC)(CC)OC(CCC1C[C@@H]2[C@H](C1)C2(C)C)C3=NC(=NC=C3Cl)C	PC-id_161006198	408.236	UFNVYMUGPJFJLQ-OYBTXZFASA-N	00100010000010100001010000000000000000000000000000000000	22-01-158593
C1C2C(C2N=C2C(C(=O)NC=N2)I)CN1Cc1ccccc1	PC-id_137244763	408.237	UGYOQPNHFNFGKC-UHFFFAOYSA-N	00100010000011110001010000000000000000000000000000000000	22-01-158594
C1CC(C2(C1C2O)O)(Nc1c(c(nc(n1)N)Cl)C#Cc1c(nccc1)Cl)O	PC-id_91170578	408.239	UYKDSBSQIJBLKZ-UHFFFAOYSA-N	00100010000010101001010000000000000000000000000000000000	22-01-158595
CCC1=CC=C(C=C1)CN2CC3C(C2)C3C[N-]C4=CC(=C(C=C4)N5CCOCC5)F	PC-id_161003362	408.246	TWEHHMCXUYJEPC-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-158596
CC1C2C1/C(=C(C(=O)C)/N)/C(=NCC(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)C2	PC-id_153600326	408.253	RVLTVSIHHMNWHX-NLHYIEEESA-N	00100010000010110001110000000000000000000000000000000000	22-01-158597
C[C@@H]1C2C1/C(=C(C(=O)C)/N)/C(=NCC(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)C2	PC-id_153600315	408.253	RVLTVSIHHMNWHX-YZLHCSHESA-N	00100010000010110001110000000000000000000000000000000000	22-01-158598
CC1([C@H]2C1CN([C@@H]2C(=O)CC(CC3CCC3)C(C(=O)N)O)C(=O)OC(C)(C)C)C	PC-id_147088018	408.262	BIFUSAGHJMZIFZ-QGKUTWGASA-N	00101010000000000000010000000000000000000000000000000000	22-01-158599
C1CN(CC2C1C2CN)C(=NC3=CC=C(C=C3)CN4CC5C(C4)C5N)/C=CNC=O	PC-id_154651076	408.264	QUNQWPROPQODHP-HUCYORTKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158600
CC/C(=NN=C(/C)N1CC2C(C1)C2N(CC)CC)/C3=C(C=C(C=C3)C4=CNN=C4)O	PC-id_153348762	408.264	BVLSGHQINMIUFT-QSAJWXLVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-158601
BrC=CC1(O)C2OC2C(=O)C(=C1)NC(=O)C=CC=CC1CCCCC1	PC-id_85208570	408.286	QCQVSRQQDQQMJI-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-158602
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CCCCCCCCC1C(O1)CCCCCCCCOC(=O)C2CCC3C(C2)O3	PC-id_153495861	408.324	SBKAXRQZYSPPCH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158605
CCCCCCC(C)C(OCC1CCC2(C(C1)O2)C)OCC3CCC4(C(C3)O4)C	PC-id_153854808	408.324	PPGYESRMINTATQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158606
CCCCCCC(C)C(OCC1(CCC2C(C1)O2)C)OCC3(CCC4C(C3)O4)C	PC-id_154121573	408.324	ACZUBFLPDVZVAZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158607
CCOC(=O)C[C@H](NC(=O)[C@H]1C[C@H]2[C@@H](C1)C2(C)C)c1ccc(Br)cc1	ZINC22_2325871954	408.329	BBBNXGZAAPBRMU-LLLHUVSDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158608
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C/C/1=CCC/C(=C/CC/C(=C/[C@@H]2[C@H](C2(C)C)CC/C(=C/CC/C(=C/CC1)/C)/C)/C)/C	PC-id_165368626,CHEBI:192980	408.376	RHBWEVCRGQZVST-SGDJXXCCSA-N	00100000000000000110010000000000000000000000000000000000	22-01-158610
C1C2C(C2CNC(=O)c2cc(ccc2)OC(F)(F)F)CN1Cc1cc(ccc1)F	SCHEMBL15967104,PC-id_90353425	408.389	YYXXDDQENVPSBP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158611
C1C2C(C2CNC(=O)c2cc(ccc2)OC(F)(F)F)CN1Cc1ccccc1F	SCHEMBL15967209,PC-id_90353531	408.389	OPVVBLRZEHDCEL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158612
Fc1ccc(cc1)CN1CC2C(C1)C2CNC(=O)c1cccc(c1)OC(F)(F)F	SCHEMBL5514654,PC-id_69471612	408.389	MKXORCQWTSDTRH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158613
CCN(CC)C1(CC(C2C1C2C(=O)O)Sc1n[nH]c(n1)C(F)(F)F)C(=O)O	PC-id_90099530	408.396	KMTAQPROKPYKQS-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-158614
CCOC(=O)C1C2C1C(CC2Sc1n[nH]c(n1)C(F)(F)F)(C(=O)OCC)N	PC-id_90099528	408.396	DOKNUVMPPAOKKT-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-158615
CCOC(=O)[C@H]1[C@H]2[C@@H]1[C@](C[C@H]2Sc1nnc([nH]1)C(F)(F)F)(N)C(=O)OCC	SCHEMBL15683054	408.396	DOKNUVMPPAOKKT-DHGLKCJESA-N	00100010100010000001010000000000000000000000000000000000	22-01-158616
C1C(COC(C1OC1C2C(O2)C(CO1)OC1C(CC(C(O1)CO)O)O)CO)O	PC-id_89412063	408.398	QTZWDCMOVPOQJV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158617
OCC1O[C@H](O[C@@H]2CO[C@@H](C3C2O3)O[C@H]2C[C@H](O)COC2CO)[C@H](C[C@@H]1O)O	SCHEMBL14712312	408.398	QTZWDCMOVPOQJV-IDGIEEGTSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158618
CC(=O)O[C@H]1C(=C[C@H]2[C@@H]([C@@H]1OC(=O)c1ccccc1)O2)COC(=O)c1ccccc1	PC-id_102485927	408.401	NEWYDFUMXDKRJP-XSDIEEQYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-158619
CC(=O)O[C@@H]1C(=C[C@@H]2[C@H]([C@H]1OC(=O)c1ccccc1)O2)COC(=O)c1ccccc1	UNPD229357,PC-id_70690684	408.401	NEWYDFUMXDKRJP-NCYKPQTJSA-N	00100000000011110000010000000000000000000000000000000000	22-01-158620
CC(=O)O[C@@H]1[C@H](C=C[C@H]2[C@]1(COC(=O)c1ccccc1)O2)OC(=O)c1ccccc1	CoCoCo_5625828	408.401	KKUDXVSPSDPLGM-GJPOJAMWSA-N	00100000000011110000010000000000000000000000000000000000	22-01-158621
CC(=O)O[C@@H]1[C@@H](C=C[C@@H]2[C@@]1(COC(=O)c1ccccc1)O2)OC(=O)c1ccccc1	CoCoCo_5625829	408.401	KKUDXVSPSDPLGM-GLHSZLCASA-N	00100000000011110000010000000000000000000000000000000000	22-01-158622
CC(=O)O[C@@H]1[C@H](C=C[C@@H]2[C@@]1(COC(=O)c1ccccc1)O2)OC(=O)c1ccccc1	CoCoCo_5625830	408.401	KKUDXVSPSDPLGM-DZCCDHAISA-N	00100000000011110000010000000000000000000000000000000000	22-01-158623
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CC(=O)O[C@H]1[C@@H](C=C[C@H]2[C@]1(COC(=O)c1ccccc1)O2)OC(=O)c1ccccc1	PC-id_11732289,CoCoCo_5625834,UNPD41199	408.401	KKUDXVSPSDPLGM-NVJIOZQYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-158628
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COC(=O)[C@@H]1CC2C([C@@H]1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(C2)C	SCHEMBL2218292,PC-id_67320869	408.605	HTZCNENYDADQMV-XGDXDOFDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158828
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[Si](OC1C2(C(C2)CC1C(=O)OC)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_77266176	408.605	HTZCNENYDADQMV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158832
[Si](OC1C(C2C(C2)(C1)C(=O)OC)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72986440	408.605	SZMAMHCQGDSTEP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158833
[Si](O[C@@H]1[C@H]([C@@H]2[C@@](C2)(C1)C(=O)OC)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11502405	408.605	SZMAMHCQGDSTEP-RJIVXFJJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158834
[Si](O[C@H]1[C@@H]([C@@H]2[C@@](C2)(C1)C(=O)OC)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11545999	408.605	SZMAMHCQGDSTEP-PXOHRUDZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158835
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[Si](O[C@H]1[C@H]([C@@H]2[C@@](C2)(C1)C(=O)OC)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11625670	408.605	SZMAMHCQGDSTEP-CRJVXGLXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158838
[Si](O[C@H]1[C@@H]([C@H]2[C@](C2)(C1)C(=O)OC)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11625671	408.605	SZMAMHCQGDSTEP-WYGBCJSASA-N	00100010000010110000010000000000000000000000000000000000	22-01-158839
[Si](O[C@@H]1[C@@H]([C@@H]2[C@@](C2)(C1)C(=O)OC)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11690036	408.605	SZMAMHCQGDSTEP-LLHPUKMZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158840
[Si](O[C@@H]1[C@@H]([C@H]2[C@](C2)(C1)C(=O)OC)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_9887707	408.605	SZMAMHCQGDSTEP-VUDCNRLCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158841
CC(CCC1OC1(C)C)CCOC(C1CCC2(C(C1)O2)C)(CCC1OC1(C)C)C	PC-id_143374694	408.614	CPFLIRAHSVKKFU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158842
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O1C2C1CCC(C2)COC(=O)CCCCCCCC1OC1CCCCCCCC	PC-id_21422034	408.614	HOTUTCSLMTVEQE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158845
CC1CC2(C)OC2CC1CCc1ccc(cc1)C(=C)OC1CC(C)(C)CC2(C1C2)C	PC-id_143296001	408.616	BULBFXRFLWOFQX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158846
CCCC(=C)C1=CC=C(CC1)COC(=O)C1=CC(=CC2(C1C2)C(C)(C)C)C(C)(C)C	PC-id_144355948	408.616	DPRIQXMXZOTOSN-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-158847
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CCCCCCOC(=O)c1ccc(cc1)C=C(C=CC12CC2(C)CCCC1(C)C)C	SCHEMBL11076578,PC-id_88718900	408.616	AOMKJLAOBQSMQT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158849
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)N1CC2C(C1)C2N	SCHEMBL15124062,PC-id_89700544	408.619	MTBBKZILFYQHNR-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-158850
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S(OOc1ccccc1)C1=CC(C(O[Si](C(C)(C)C)(C)C)C(C2OC12)C)C	PC-id_76612648	408.627	GHFHBFOUTKDOEL-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-158854
S(=O)(=O)(C1=CC(C(O[Si](C(C)(C)C)(C)C)C(C2OC12)C)C)c1ccccc1	PC-id_85088534	408.627	AITLARXVPVNIJX-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-158855
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S(=O)(=O)(C1=C[C@@H]([C@@H](O[Si](C(C)(C)C)(C)C)[C@H]([C@H]2O[C@@H]12)C)C)c1ccccc1	PC-id_10070049	408.627	AITLARXVPVNIJX-VNEALKQTSA-N	00100000000000110110010000000000000000000000000000000000	22-01-158857
S(=O)(=O)(C(=CC1(OC)C2OC2CCC1)[Si](CC)(CC)CC)c1ccccc1	PC-id_76005900	408.627	BKMKKKAZBAOTPA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158858
S(=O)(=O)(C(=C[C@@]1(OC)[C@@H]2O[C@@H]2CCC1)[Si](CC)(CC)CC)c1ccccc1	PC-id_53308773	408.627	BKMKKKAZBAOTPA-HMXCVIKNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158859
CCC([Si](OC)(OC)OC)[Si](OCCCC1CCC2C(C1)O2)(OC)OC	PC-id_140242385	408.635	VMEYOKLOSBMQBO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158860
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[Si](OC1CC2(OC2(C(C1)(C)C)C=CC(=CC(=O)OCC)C)C)(C(C)(C)C)(C)C	PC-id_73076272	408.647	JFEGVECHDMMOHP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158865
[Si](O[C@@H]1C[C@@]2(O[C@@]2(C(C1)(C)C)/C=C/C(=C/C(=O)OCC)/C)C)(C(C)(C)C)(C)C	PC-id_10949597	408.647	JFEGVECHDMMOHP-COJATODSSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158866
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CCCCCCCCCCCCCCCCCCOC(=O)C1(CCC2C(C1)O2)C	PC-id_92041044	408.658	PAOLZXMTUCSQIJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158868
O1C2(C1(CCCCCCCC(=O)OCC2CCCC)CC)CCCCCCCC	PC-id_59085276	408.658	LTSRZPCCIHXWEV-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-158869
OC1CCC(CC1)CCCS(OS(CCC1CCC2C(C1)O2)(O)C)(C)C	PC-id_144511841	408.659	LUGGBDFDXYMSJN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158870
CNCCN(CCC1CCCCCC(CCNC)CCCCCC2C1C2)CCN	SCHEMBL19629116	408.707	USZHWVGBMKZLBC-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-158871
[I]12[I](C1[I-]2)C	PC-id_58115449	408.767	XAUXTVFZFOJNSO-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-158872
[Si](CCC1CC2OC2CC1)(CCCCCC)(CCCCCC)CCCCCC	PC-id_85695298	408.776	BDUQYMJRXBPVEA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158873
Clc1cc(C(=O)N2CC3C(C3NCC(=O)N3[C@@H](C[C@H](F)C3)C#N)C2)ccc1F	SCHEMBL4898240,PC-id_16225932	408.83	KEUXBZYYJAGKHA-BJQJWTKZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158874
Clc1c(F)c(C(=O)N2CC3C(C3NCC(=O)N3[C@@H](C[C@H](F)C3)C#N)C2)ccc1	PC-id_16225530,SCHEMBL4890145	408.83	DSGWGFQYRQDQBH-VGRXVIDBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158875
C1C(CN2C1[N+]2(Cc1ccc(cc1)OCc1c(cc(cc1)F)Cl)O)C(=O)NO	PC-id_88183426	408.831	ORPAAZZBTLUQIM-UHFFFAOYSA-O	00100010000000110001010000000000000000000000000000000000	22-01-158876
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CCC1(C(C2C(C2(C1(C(=O)O)N)C)C(=O)O)C(=O)Nc1cc(ccc1)Cl)CC	PC-id_91402197,SCHEMBL6793535	408.876	VTVCWRUMVQQEOI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158879
CCC1(C(=O)Nc2ccccc2)C(Cl)(CC)C2C(C1(N)C(=O)O)(C2C(=O)O)C	PC-id_69897182,SCHEMBL6793539	408.876	PGGWXVORZGNYAM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158880
CCOC(=O)C1C2C1(C(CC2C(=O)Nc1ccccc1Cl)(C(=O)OCC)N)C	PC-id_90909468	408.876	SYYAKFNPGAQOLW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158881
CCOC(=O)C1C2C1(C)C(CC2)(CC)C(=O)OC(=O)Nc1cccc(c1N)Cl	PC-id_140473835	408.876	AJAQOVRSMXNCMH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158882
CCOC(=O)C1(N)C(C(=O)Nc2ccccc2)C(C2C1(C)C2C(=O)OCC)Cl	PC-id_69899492,SCHEMBL6799831	408.876	PBERHSQUKKUSPK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158883
Clc1c(NC(=O)C2C3C(C3C(=O)O)(C(C2CC)(CC)C(=O)ON)C)cccc1	PC-id_69899489,SCHEMBL6799828	408.876	BQPUESKCZGFWGG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158884
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ICCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_96802469	408.9	NPDPOPGSDMVZAW-NKWVEPMBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158887
CCCC(C)OCC(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137399698,SCHEMBL20631360	408.919	WVTJONPCMOXTKI-OFVYYILDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158888
O=C(C1C2C1CN(C2)C(=O)OC(C)(C)C)NC(COc1ccccc1Cl)(C)C	SCHEMBL19724378	408.919	HJRZGWVHZPRRNI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158889
O=C(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(COc1ccccc1Cl)(C)C	PC-id_117709264	408.919	HJRZGWVHZPRRNI-VMZNBEPHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158890
O=C([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(COc1ccccc1Cl)(C)C	SCHEMBL16252812	408.919	HJRZGWVHZPRRNI-HALDLXJZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158891
CN1CCN(CC1)CCCN(C1CCC2C1C2)C(=O)Nc1ccc(c(c1)Cl)F	PC-id_142251354	408.941	JGLMPYPFGVDOHD-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-158892
BrC(C1C2C1CCC2)c1c(Br)ccc(Br)c1	PC-id_81636332	408.954	WNVVLVHUJIIXLU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158893
BrC(C1CC2C(C2)C1)c1c(Br)ccc(Br)c1	PC-id_80470707	408.954	PCCNIKXASNJUNB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158894
C=CCOC(=O)N[C@]1([C@@H](C[C@@H]2[C@H]1[C@]2(C(=O)[O-])F)OCC3=CC=C(C=C3)F)C(=O)[O-]	PC-id_153714857	409.098	UFMGYRJFXQXVOH-GOSIZQOLSA-L	00100010000010110000010000000000000000000000000000000000	22-01-158895
CC1=C(OC(=O)O1)COC(=O)[C@H]2C3C2C(CC3)(C(=O)OCC4=C(OC(=O)O4)C)N	PC-id_160169718,PC-id_60131593	409.101	PFDNHRJQWMQFQR-NWRMKYGYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-158896
C1C2C(C2C[N-]CC3=CC(=CC=C3)Cl)CN1CC4=CC=C(C=C4)OC(F)(F)F	PC-id_153871878	409.13	BTEVMPLWTXNAMV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158897
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)CC3(COC3)C4=C(C(=CC=C4)Cl)F	PC-id_161125703	409.146	ULNKDGYAGMGTER-WQVCFCJDSA-N	00101010000000110000110000000000000000000000000000000000	22-01-158898
BrC1(Br)C2C1CN(C2C(=O)C(C)(C)C)C(=O)C(C)(C)C	PC-id_72247405	409.157	WHVIGQXIPJJSRI-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-158899
BrC1(Br)[C@H]2[C@@H]1CN(C2C(=O)C(C)(C)C)C(=O)C(C)(C)C	SCHEMBL13399236,PC-id_59289403	409.157	WHVIGQXIPJJSRI-XMCUXHSSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-158900
C(CCN)CCOC1C(C(C(C(O1)C(=O)O)OC2C(C(C3C(O3)O2)O)O)O)O	PC-id_155112438	409.158	RSJZKWXPEDJNCT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158901
CC1=NC(=CO1)C=C(C2CC3C(O3)CCCCCCC(=O)CCCC(=O)O2)Cl	PC-id_87854735,PC-id_153677172	409.166	ZTZWTECVFHRTAD-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-158902
CC1=NC(=CS1)C=C(C2CC3C(O3)CCCCCCC(=O)CCCC(=O)O2)F	PC-id_153805220,PC-id_87854434	409.172	PGGXJBNMKGDYSP-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-158903
C1C(CN1C(=O)NC2=NC(=O)N(C=C2)C3=CC=C(C=C3)CN4CC5C(C4)C5N)CN	PC-id_154650578	409.223	IOJUPLWJHSBPRZ-UHFFFAOYSA-N	00101010000000110001110000000000000000000000000000000000	22-01-158904
C1[C@@H]2[C@@H](C2N)CN1CC3=CC=C(C=C3)N4C=CC(=NC4=O)NC(=O)N5CC(C5)CN	PC-id_154650914	409.223	IOJUPLWJHSBPRZ-JJTKIYQPSA-N	00101010000000110001110000000000000000000000000000000000	22-01-158905
C1CN(CCN1)C(=O)NC2=NC(=O)N(C=C2)C3=CC=C(C=C3)CN4CC5C(C4)C5N	PC-id_154650620	409.223	LWPOCJUYDOCQKR-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-158906
C1CN(CCN1)C(=O)NC2=NC(=O)N(C=C2)C3=CC=C(C=C3)CN4C[C@H]5C(C4)C5N	PC-id_154650292	409.223	LWPOCJUYDOCQKR-MUYFXNHWSA-N	00100010000010110001110000000000000000000000000000000000	22-01-158907
C1CN(CCN1)C(=O)NC2=NC(=O)N(C=C2)C3=CC=C(C=C3)CN4C[C@@H]5C(C4)C5N	PC-id_154650544	409.223	LWPOCJUYDOCQKR-LRYGQEGESA-N	00100010000010110001110000000000000000000000000000000000	22-01-158908
C1CN(CCN1)C(=O)NC2=NC(=O)N(C=C2)C3=CC=C(C=C3)CN4C[C@@H]5[C@H](C4)C5N	PC-id_154650250	409.223	LWPOCJUYDOCQKR-JJTKIYQPSA-N	00100010000010110001110000000000000000000000000000000000	22-01-158909
CC[Si-](CC)(CC)OC(CNC1C[C@@H]2[C@H](C1)C2(C)C)c1nc(ncc1Cl)C	PC-id_163952132	409.232	XRFQLFOVYJQONP-RJSVMHHESA-N	00100010000010100001010000000000000000000000000000000000	22-01-158910
CCCOc1c(nc(cc1)C)C(=O)N1C[C@@H]2CC2C[C@H]1CNc1cnc(c(n1)C)C	PC-id_163930755	409.248	RIMGIFBTWVGMNA-MNNMKWMVSA-N	00100000000010101001010000000000000000000000000000000000	22-01-158911
C12(C(=O)OCC)C(=O)OC(C)(C)C1C2(CC)C(=O)c1ccc(cc1)Br	ChEMBL-DNDi_CHEMBL6948374,PC-id_2920291,MCULE-2474812335,STOCK1N-29580,Chemmine_11320,CNP0192578,EMOLS-id_2305267	409.271	HHJZEZAEEBZHAM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158912
CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@]2(CC)C(=O)c1ccc(Br)cc1	CoCoCo_856896,PC-id_7079395,ZINC22_4029756	409.271	HHJZEZAEEBZHAM-JVPBZIDWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158913
CCOC(=O)[C@@]12C(=O)OC(C)(C)[C@@H]1[C@]2(CC)C(=O)c1ccc(Br)cc1	CoCoCo_856898,PC-id_1325814,ZINC22_1156354	409.271	HHJZEZAEEBZHAM-MDASCCDHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158914
CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@@]2(CC)C(=O)c1ccc(Br)cc1	PC-id_7079396,ZINC22_4029757,CoCoCo_856897	409.271	HHJZEZAEEBZHAM-KYNGSXCRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158915
CCOC(=O)[C@@]12C(=O)OC(C)(C)[C@H]1[C@@]2(CC)C(=O)c1ccc(Br)cc1	PC-id_98242426,ZINC22_101791568	409.271	HHJZEZAEEBZHAM-GDIGMMSISA-N	00100010000000110000010000000000000000000000000000000000	22-01-158916
CCOC(=O)[C@]12C(=O)OC(C)(C)[C@@H]1[C@]2(CC)C(=O)c1ccc(Br)cc1	ZINC22_100641789,PC-id_98125153	409.271	HHJZEZAEEBZHAM-CCKFTAQKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158917
CCOC(=O)[C@]12C(=O)OC(C)(C)[C@@H]1[C@@]2(CC)C(=O)c1ccc(Br)cc1	ZINC22_100641790,PC-id_98125154	409.271	HHJZEZAEEBZHAM-ZMYBRWDISA-N	00100010000000110000010000000000000000000000000000000000	22-01-158918
CCOC(=O)[C@@]12C(=O)OC(C)(C)[C@@H]1[C@@]2(CC)C(=O)c1ccc(Br)cc1	ZINC22_12660793,PC-id_25426121,CoCoCo_856899	409.271	HHJZEZAEEBZHAM-NIKGAXFTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158919
O[C@@H]1CCC2C(CC[C@H]1P(=O)(c1ccccc1)c1ccccc1)C2(Cl)Cl	SPECS-id_AS-970/QB03604	409.286	UBDVJBMGCAWOGK-NTFDOXNWSA-N	00100000000000110100010000000000000000000000000000000000	22-01-158920
Brc1ccc(cc1)P(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2	PC-id_141187336	409.297	KTSGLSSYTQTUGI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158921
c1ccccc1COC[C@@H]1[C@H]([C@@H]([C@@H]2[C@@H](C2(Cl)Cl)O1)OCc1ccccc1)O	2232425_OpenMolecule,CT-id_2232425,PC-id_139082341	409.303	UDSGZVHFZBCWNC-WAPOTWQKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158922
ClC1(Cl)C2C1OC(C(OCc1ccccc1)C2OCc1ccccc1)CO	PC-id_85190449	409.303	DWTWJQIJXWMJKR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158923
ClC1(Cl)[C@H]2[C@@H]1O[C@@H]([C@@H](OCc1ccccc1)[C@@H]2OCc1ccccc1)CO	PC-id_10573540	409.303	DWTWJQIJXWMJKR-WAPOTWQKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158924
CC1C2C1C(=C(C2)NCCN3CCN(CC3)C4=CC=CC(=C4C)C)C(C)(C)C(=O)C	PC-id_153600051	409.309	GVMMVXRWPZNMKG-UHFFFAOYSA-N	00100011000010110001110000000000000000000000000000000000	22-01-158925
CN1CC2C(C1)C2CN(Cc1c(cc(cc1)Cl)Cl)C(=O)Oc1cn(cn1)C	PC-id_90353588,SCHEMBL15967269	409.31	LDOONUCYXOABAD-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158926
CN1CC2C(C1)C2CN(Cc1cc(c(cc1)Cl)Cl)C(=O)Oc1cn(cn1)C	SCHEMBL15967120,PC-id_90353441	409.31	CCHGMIGBARZEMI-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158927
CN1CC2C(C1)C2CN(Cc1cc(cc(c1)Cl)Cl)C(=O)Oc1cn(cn1)C	SCHEMBL15967125,PC-id_90353446	409.31	ABAWHNPRDIIOQW-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158928
Brc1c([C@@H](OC)[C@@H](C=C[C@]2([C@@H]3[C@H]2OCCC3)C(=O)OC)C)cccc1	PC-id_49859169	409.314	KAZMGBQDEYZMGJ-TZVLKLNCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158929
Brc1c(C(OC)C(C=CC2(C3C2OCCC3)C(=O)OC)C)cccc1	PC-id_75307819,ChEMBL-DNDi_CHEMBL1704422	409.314	KAZMGBQDEYZMGJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158930
Brc1cc(C=NNC(=O)[C@H]2[C@@]3([C@H]2CCCC3)C)cc(OC)c1OCC	PC-id_7269868	409.317	TUJIRKNYLPUZRG-AXHNFQJDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158931
Brc1cc(C=NNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)cc(OC)c1OCC	PC-id_7269870	409.317	TUJIRKNYLPUZRG-CRFBAAHOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158932
Brc1c(C(=O)N2C(C3C(C3)C2)CNC(=O)OC(C)(C)C)ccc(c1)C	PC-id_68445028,SCHEMBL2930083	409.317	BRCDWYAERCCWFU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158933
Brc1c(C(=O)N2[C@@H](C3[C@H](C3)C2)CNC(=O)OC(C)(C)C)ccc(c1)C	PC-id_68445032,SCHEMBL2930090	409.317	BRCDWYAERCCWFU-QXDOLYAVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158934
Brc1c(C(=O)N2[C@H]([C@@H]3[C@@H](C3)C2)CNC(=O)OC(C)(C)C)ccc(c1)C	PC-id_57489354	409.317	BRCDWYAERCCWFU-NOLJZWGESA-N	00100010000000110000010000000000000000000000000000000000	22-01-158935
Brc1c(C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)CNC(=O)OC(C)(C)C)ccc(c1)C	PC-id_59153396,SCHEMBL2930087	409.317	BRCDWYAERCCWFU-XNRPHZJLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-158936
C12(CCCCC1C2C(=O)NN=Cc1cc(OC)c(c(Br)c1)OCC)C	PC-id_3779557,MCULE-3228391241	409.317	TUJIRKNYLPUZRG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158937
CCOc1c(Br)cc(cc1OC)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561864	409.317	TUJIRKNYLPUZRG-SQOGKCPDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158938
CCOc1c(Br)cc(cc1OC)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561865	409.317	TUJIRKNYLPUZRG-HZLYYSDSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158939
CCOc1c(Br)cc(cc1OC)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561866	409.317	TUJIRKNYLPUZRG-GRGXEIBBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158940
CCOc1c(Br)cc(cc1OC)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6561867	409.317	TUJIRKNYLPUZRG-TXUKGALZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158941
CCOc1c(Br)cc(cc1OC)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561868,CoCoCo_6561863	409.317	TUJIRKNYLPUZRG-STIFRRAFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158942
CCOc1c(Br)cc(cc1OC)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561869,PC-id_98233519	409.317	TUJIRKNYLPUZRG-IJEXJOFNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158943
CCOc1c(Br)cc(cc1OC)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6561870	409.317	TUJIRKNYLPUZRG-HYCPDRRQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158944
CCOc1c(Br)cc(cc1OC)/C=NNC(=O)[C@@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98075299	409.317	TUJIRKNYLPUZRG-KUUBHFLXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158945
CCOc1c(Br)cc(cc1OC)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98075300	409.317	TUJIRKNYLPUZRG-KMNUJEETSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158946
CCOc1c(Br)cc(cc1OC)/C=NNC(=O)[C@@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98825811	409.317	TUJIRKNYLPUZRG-CYNBFZICSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158947
CCOc1c(Br)cc(/C=N/NC(=O)C2C3CCCCC23C)cc1OC	EMOLS-id_46400137,PC-id_9635573,TIMTEC465096	409.317	TUJIRKNYLPUZRG-SRZZPIQSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158948
NCC(=O)N[C@]1(C[C@H]([C@@H]2[C@H]1[C@H]2C(=O)O)Sc1nnc([nH]1)C(F)(F)F)C(=O)O	PC-id_71137030,SCHEMBL14317918	409.341	WIOAZLGPKHWNNY-TULLMOBMSA-N	00100010100010000001010000000000000000000000000000000000	22-01-158949
S(C1C2C(C2C(=O)O)C(NC(=O)CN)(C1)C(=O)O)c1nc([nH]n1)C(F)(F)F	PC-id_77985216	409.341	WIOAZLGPKHWNNY-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-158950
OC[C@H]1OC([C@H]([C@@H]1O)O)(CO)O[C@@]1(O[C@H](CO)[C@H]([C@@]2([C@]1(O)O2)O)O)C(C#N)C	PC-id_141060714	409.343	INFMZLAQMJCIGH-BXQRYGSSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-158951
O=c1oc(c(o1)COC(=O)[C@H]1C2C1[C@](CC2)(N)C(=O)OCc1oc(=O)oc1C)C	SCHEMBL8358707	409.344	PFDNHRJQWMQFQR-RNXLEHGKSA-N	00100010100010000001010000000000000000000000000000000000	22-01-158952
O(C(=O)C1C2C1CCC2(N)C(=O)OCc1oc(=O)oc1C)Cc1oc(=O)oc1C	PC-id_72658707	409.344	PFDNHRJQWMQFQR-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-158953
O(C(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]2(N)C(=O)OCc1oc(=O)oc1C)Cc1oc(=O)oc1C	PC-id_60131579	409.344	PFDNHRJQWMQFQR-YUDKLWIUSA-N	00100010100010000001010000000000000000000000000000000000	22-01-158954
C1C2C(C2CN(Cc2c(ccc(c2)C(F)(F)F)F)C(=O)Oc2ccccn2)CN1	PC-id_90353269,SCHEMBL15966942	409.377	WJDUXFZOVROWIG-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-158955
C1C2C(C2CN(Cc2c(ccc(c2)F)C(F)(F)F)C(=O)Oc2ccccn2)CN1	PC-id_90353403,SCHEMBL15967082	409.377	OXIQMBNXFDDNFF-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-158956
C1C2C(C2CN(Cc2cc(cc(c2)F)C(F)(F)F)C(=O)Oc2ccccn2)CN1	PC-id_90353523,SCHEMBL15967201	409.377	FBQNFCQENAKLEX-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-158957
C1C2C(C2CN(Cc2cc(c(cc2)F)C(F)(F)F)C(=O)Oc2ccccn2)CN1	PC-id_90353647,SCHEMBL15967328	409.377	XUUXGCWMXQOMAF-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-158958
NCCCCCO[C@H]1OC(C(=O)O)[C@@H](C(C1O)O)O[C@@H]1OC2O[C@@H]2C(C1O)O	SCHEMBL18122121,PC-id_122596382	409.386	RSJZKWXPEDJNCT-QNXGXSLKSA-N	00100000000010000000010000000000000000000000000000000000	22-01-158959
O=C(C1CCC2C(C1)O2)OCCn1c(=O)n(CC2CO2)c(=O)n(c1=O)CC1CO1	PC-id_140230704	409.391	DRDOTPMSOSLFJV-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-158960
O=C(Cn1c(=O)n(CC2CO2)c(=O)n(c1=O)CC1CO1)OCC1CCC2C(C1)O2	PC-id_140231774	409.391	CXVYMSDDCPKBNQ-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-158961
FC(F)(F)Oc1cc(CNCC2C3C2CN(C3)CC(=O)Nc2[nH]ccn2)ccc1	PC-id_69470401,SCHEMBL5511375	409.405	FHKDGJGGQDCVSD-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-158962
CN(c1nc(cc(=O)n1C)c1ccncc1F)C1C2C1CN(C2)C(=O)c1cocc1	SCHEMBL2522245,PC-id_67437943	409.414	OZZCFFMXVXDNPC-UHFFFAOYSA-N	00100010101000101001110000000000000000000000000000000000	22-01-158963
CN(c1nc(cc(=O)n1C)c1ccncc1F)C1[C@@H]2[C@H]1CN(C2)C(=O)c1cocc1	PC-id_59576881,SCHEMBL2522246	409.414	OZZCFFMXVXDNPC-RTHVDDQRSA-N	00100010101000101001110000000000000000000000000000000000	22-01-158964
CN(c1nc(cc(=O)n1C)c1ccncc1F)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1cocc1	SCHEMBL2522243	409.414	OZZCFFMXVXDNPC-QWHZDKJVSA-N	00100010101000101001110000000000000000000000000000000000	22-01-158965
CN(c1nc(cc(=O)n1C)c1ccncc1F)[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)c1cocc1	SCHEMBL2522244	409.414	OZZCFFMXVXDNPC-CCWDJLKJSA-N	00100010101000101001110000000000000000000000000000000000	22-01-158966
Fc1cnccc1c1cc(=O)n(c(n1)NCC1C2C1CN(C2)C(=O)c1cocc1)C	PC-id_140556812	409.414	YBNXGVQZESADKS-UHFFFAOYSA-N	00100010101000101001110000000000000000000000000000000000	22-01-158967
[N-]=[N+]=NC[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)[C@@H]2C(=O)O	PC-id_101470907	409.435	YEDUKOOVMOLQQC-LJGAWZCMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-158968
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O(C1C(N)(C2C(C2C(=O)OCC)C1)C(=O)OCc1ccccc1)Cc1ccccc1	PC-id_53893528	409.475	HSDPSXBQFGFXJC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-158976
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Fc1cc(C(=O)NCC2C3C2CN(C3)Cc2ccccc2)ccc1N1CCOCC1	SCHEMBL4419241,PC-id_69036355	409.496	STTHHCDPQBPHMT-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-158981
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Fc1cc(NC(=O)C2C3C2CN(C3)CCc2ccccc2)ccc1N1CCOCC1	PC-id_69039687,SCHEMBL4427708	409.496	BVEMBNCSCGCQGA-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-158985
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CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OCC1CCC2CC2N1C(=O)O	SCHEMBL15348442,PC-id_89872604	409.593	RXZZJUPKRNYCQV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-159027
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CC1(C2C1C(N(C2)C(=O)OC(C)(C)C)C(=O)NC(CC1CCC1)C(C(=O)N)O)C	PC-id_89785647,SCHEMBL9070612	409.52	JVBWTPUJMRCXST-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-158994
OC(C(=O)N)C(NC(=O)C1N(CC2[C@@H]1C2(C)C)C(=O)OC(C)(C)C)CC1CCC1	SCHEMBL9005886,PC-id_59191922	409.52	JVBWTPUJMRCXST-PZQKLGETSA-N	00101010000000000000010000000000000000000000000000000000	22-01-158995
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OC(C(=O)N)C(NC(=O)[C@H]1N(CC2[C@@H]1C2(C)C)C(=O)OC(C)(C)C)CC1CCC1	SCHEMBL13254675,PC-id_59412434	409.52	JVBWTPUJMRCXST-SPCBQYLLSA-N	00101010000000000000010000000000000000000000000000000000	22-01-158997
OC(C(=O)N)C(NC(=O)[C@H]1N(C[C@H]2C1C2(C)C)C(=O)OC(C)(C)C)CC1CCC1	SCHEMBL18220811,PC-id_122683301	409.52	JVBWTPUJMRCXST-XKHRQSTNSA-N	00101010000000000000010000000000000000000000000000000000	22-01-158998
CCCOc1ccc(nc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1cnc(c(n1)C)C)C	SCHEMBL3385239,PC-id_46218796	409.525	RIMGIFBTWVGMNA-QYZOEREBSA-N	00100000000010101001010000000000000000000000000000000000	22-01-158999
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Cc1ccc(cc1)CCN1CC2C(C1)C2CNc1ccc(c(c1)F)N1CCOCC1	PC-id_67326411,SCHEMBL2230043	409.539	ZUYWWTFADKWXHN-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-159001
CCc1ccc(cc1)CN1CC2C(C1)C2CNc1ccc(c(c1)F)C1CNCCO1	PC-id_69041079,SCHEMBL4431009	409.539	JYAISKCZAOBMAM-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-159002
CCc1ccc(cc1)CN1CC2C(C1)C2CNc1ccc(c(c1)F)N1CCOCC1	PC-id_69033356,SCHEMBL4412123	409.539	CNROJCRHSSUUTP-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-159003
Fc1cccc(c1)N1CCN(CC1)CCOCC1C2C1CN(C2)Cc1ccccc1	SCHEMBL5806514,PC-id_69574053	409.539	UKCXKBNMJFQAKU-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-159004
Fc1cc(NCC2C3C2CN(C3)CCCc2ccccc2)ccc1N1CCOCC1	PC-id_67307933,SCHEMBL2181891	409.539	MHKMIDSDESLXPU-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-159005
CCC1(CC)[C@@H]2[C@H]1C(=O)C(=C2)N(S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1	PC-id_102375739	409.541	PHCXEXBSFQSAQZ-UNMCSNQZSA-N	00100011000000110000010000000000000000000000000000000000	22-01-159006
S(=O)(=O)(N(CC12C(C1)C(O)CCC2)CC#Cc1ccccc1)c1ccc(cc1)C	PC-id_78092844	409.541	MHZIKMPYNCNVFD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-159007
S(=O)(=O)(N(C[C@]12[C@H](C1)[C@H](O)CCC2)CC#Cc1ccccc1)c1ccc(cc1)C	PC-id_71511971	409.541	MHZIKMPYNCNVFD-WXFUMESZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-159008
OC(COc1ncc(s1)C(=O)NCCCC1C2C1CCC2=O)CNC(C)(C)C	PC-id_68126415,SCHEMBL11768680	409.543	DPBPBMBNYKDZGL-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-159009
OC(COc1ncc(s1)C(=O)NCCCC1C(=O)CC2C1C2)CNC(C)(C)C	PC-id_68127773,SCHEMBL11774282	409.543	BDPGCRYRTNRPOX-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-159010
OC(COc1ncc(s1)C(=O)NCCCCC1C2C1CCC2=O)CNC(C)C	SCHEMBL11768620,PC-id_68126399	409.543	XXDQHYRFHRTLON-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-159011
OC(COc1ncc(s1)C(=O)NCCCCC1CC2C(C1=O)C2)CNC(C)C	SCHEMBL11773350,PC-id_68127556	409.543	AQGNMOTUUUIMAK-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-159012
OC(COc1ncc(s1)C(=O)NCCCCC1C(=O)CC2C1C2)CNC(C)C	PC-id_68126343,SCHEMBL11768403	409.543	CBGVQJZNHXXFCC-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-159013
S(=O)(=O)(N(OCC)C12C(C1CCC(C2)C)(C)C)c1ncccc1C(=O)N(C)C	PC-id_45489531	409.543	HTRUHPIMZFDUBP-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-159014
C/C=CC=C/C=C/C=C(/c1c(NCC2CCCO2)nc[nH]c1=O)C1=CSC2C1C2	PC-id_143163792	409.544	VWFOACHGJBQEPQ-XJJLNUTNSA-N	00100011000000100001010000000000000000000000000000000000	22-01-159015
N#C/C(=C/1C=C/C(=NO[S+](C2=CC3C(C=C2)C3C)CO)/S1)/c1ccccc1C	PC-id_143782103	409.544	LECBJGXKPQUTDZ-LXPFAFIKSA-N	00100011000011110000010000000000000000000000000000000000	22-01-159016
[Si](OCC1OC(=O)C2N(C12)C(=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72807371	409.55	GKSLGEQTQSZENP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159017
[Si](OC[C@H]1OC(=O)[C@@H]2N([C@H]12)C(=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11338820	409.55	GKSLGEQTQSZENP-VRKKQRBZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159018
O1C2C(O)(CC(NC(=O)CCCCCCCCCCCCC)CO)C(=O)C=CC12	PC-id_74318809	409.559	IQYUYJFOHLRXPU-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-159019
O1[C@@H]2[C@@](O)(C[C@H](NC(=O)CCCCCCCCCCCCC)CO)C(=O)C=C[C@H]12	PC-id_24800293	409.559	IQYUYJFOHLRXPU-DHNNRRLOSA-N	00100000000011000000010000000000000000000000000000000000	22-01-159020
CCCC(C)CC(CC(C)(CC)C(C(=O)N1C(C(C2C1C2C)(O)O)C#N)N)CO	PC-id_90834624	409.563	OBQODDFGRWWLNY-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-159021
OC(COc1ncc(s1)C(=O)NCCCCC12CCCC2C1)CNC(C)(C)C	PC-id_21392715,SCHEMBL11720783	409.586	WTEKCBQMPGEVPU-UHFFFAOYSA-N	00100010100010000001010000000000000000000000000000000000	22-01-159022
CCO/C(=CC(CC1=CC2C(N=C1)(C2)SC1=CCCC=C1)C)/C(=C(/N=C)N)/C=C	PC-id_143959793	409.587	FIDYDJFUBNQDRW-HAVYBMPNSA-N	00100000000011000000010000000000000000000000000000000000	22-01-159023
OC([C@]1(O)N(Cc2ccccc2)C([C@@]2([C@@]1(O)C2(C)C)O)O)[Si](C(C)(C)C)(C)C	PC-id_70285721,SCHEMBL8139329	409.592	RKCJTKVXUGFJJC-JWKUXKGWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159024
[Si](C(O)C1(O)N(C(O)C2(O)C1(O)C2(C)C)Cc1ccccc1)(C(C)(C)C)(C)C	PC-id_77811485	409.592	RKCJTKVXUGFJJC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159025
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OCC1CC2CC2CN1C(=O)O	SCHEMBL14486195,PC-id_87437100	409.593	WZMARCQNGQKEJA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-159026
OC(=O)N1CCC2C(C1)(CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C2	SCHEMBL2517688,PC-id_67436488	409.593	MESGSJMBTMFXBV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-159028
OC(=O)N1C[C@H]2C[C@H]2C[C@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_67538361,SCHEMBL2795827	409.593	WZMARCQNGQKEJA-ZCNNSNEGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-159029
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CCOC(CCC1CCC2C(C1)O2)(C(C1CCC2C(C1)O2)(OCC)[Si])OCC	PC-id_87692152	409.612	XLVWXQZETPDCPE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-159031
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC[C@@H]1[C@H](O1)C[C@@H]1[C@@H]2[O+]1CCC2	PC-id_135010309	409.613	XOZKMWUNOLEWKM-MOUTVQLLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159032
Cc1ccc(cc1)S(=O)(=O)N1C(=C)[C@H]2[C@@]([C@H]1CO[Si](C(C)(C)C)(C)C)(O2)C	PC-id_146167831	409.615	VAAJUPDZBPOMEB-WSTZPKSXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159033
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C#C[Si](C)(C)C	SCHEMBL2930579,PC-id_68445212	409.62	MREVTGJMRYPXQG-KZNAEPCWSA-N	00100010100000110001110000000000000000000000000000000000	22-01-159034
s1c(c(nc1C#C[Si](C)(C)C)C(=O)N1C(C2C(C2)C1)CN)c1cc(ccc1)C	PC-id_77501273	409.62	MREVTGJMRYPXQG-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-159035
CC1(CCC2C1(C2O)C)Nc1c(c(nc(n1)NCC(F)(F)F)Cl)C(=S)N	PC-id_90721958	409.857	WREGINOTOQHKQE-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-159036
Clc1c(COC(=O)C2(NC(=O)OC(C)(C)C)C3C(C3C(=O)O)CC2)cccc1	PC-id_23569532,SCHEMBL6466616	409.861	UCROOLFLFGEDIV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-159037
Clc1c(COC(=O)[C@@]2(NC(=O)OC(C)(C)C)[C@H]3[C@H]([C@@H]3C(=O)O)CC2)cccc1	PC-id_58630895,SCHEMBL5842743	409.861	UCROOLFLFGEDIV-TUQFVAEASA-N	00100010000010110000010000000000000000000000000000000000	22-01-159038
Clc1ncnc(NC2C3N(S(=O)(=O)c4ccc(cc4)C)C3C(C2)CO)c1N	PC-id_85305898	409.89	AGDLBSOYCNODJR-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-159039
Clc1ncnc(N[C@@H]2[C@H]3N(S(=O)(=O)c4ccc(cc4)C)[C@H]3[C@@H](C2)CO)c1N	PC-id_10894853	409.89	AGDLBSOYCNODJR-JIARDRLGSA-N	00100010000000110001010000000000000000000000000000000000	22-01-159040
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Clc1ccc(S[C@@H]2C[C@@H]3O[C@@H]3C[C@H]2NS(=O)(=O)c2ccc(cc2)C)cc1	PC-id_16112442	409.95	QODVOYCVTCRMPW-AKHDSKFASA-N	00100000000010110000010000000000000000000000000000000000	22-01-159043
CCOC(=O)C1(CCC2C(C2(Br)Br)CC1)C(=O)OCC	PC-id_155273463	409.973	YQCVLBYNSREJRF-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-159044
CC(C)(C(=O)OC1CC(OC1)(C(F)(F)F)O)C23NI2N3	PC-id_153060979	409.995	VJLBHVLYSOFGCU-UHFFFAOYSA-N	00100010000000000001010000000000000000000000000000000000	22-01-159045
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CCCC[C@H]1[C@@H]2C[C@@H]2C(=O)[C@@H]1[Si](c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_101155749	410.623	CRNQJSHYYBGTKJ-KJNQLLBQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159235
CC(C)(CC1CCC2C(C1)O2)[Si]1(c2ccc1cc2)C(C)(C)CC1CCC2C(C1)O2	SCHEMBL6847227,PC-id_88051004	410.664	JEIDRKOLRUBUSS-UHFFFAOYSA-N	00100011000010100000010000000000000000000000000000000000	22-01-159236
S(C1(Sc2ccc(cc2)C(C)(C)C)C2C1CCC2)c1ccc(cc1)C(C)(C)C	PC-id_13040200	410.678	NIJWQDSNZJOPKO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-159237
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C[Si](O[Si](CCCC1CCC2C(C1)O2)(C)C)(CCCC1CCC2C(C1)O2)C	PC-id_101390179	410.738	QKTQOFPUIZHJMA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-159239
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Clc1ccc(cc1)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F	SCHEMBL5510930,PC-id_69470215	410.86	BCSNCZOTALRTEI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159243
Clc1cccc(c1)CNCC1C2C1CN(C2)Cc1ccc(cc1)OC(F)(F)F	SCHEMBL3777506,PC-id_68782287	410.86	MGYUKCTVBNBJMG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159244
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Clc1c(F)c(C2(NC(=O)[C@H]3N([C@H]4[C@H](C4)C3)C(=O)OC(C)(C)C)COC2)ccc1	SCHEMBL13837309,PC-id_71009645	410.867	PLRAZUHEKWYOMI-DFBGVHRSSA-N	00101010000000110000110000000000000000000000000000000000	22-01-159246
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CC(COC)OCC(=O)N[C@@H]1C[C@@H](C2C1C2)NC(=O)COc1ccc(cc1)Cl	PC-id_137400265,SCHEMBL20631970	410.892	ADVLELQQVPRUGS-KLUMTZPSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-159248
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CCCCOC(=O)N1C(CC2(C1C2)CN)C(=O)Nc1cccc(n1)Br	SCHEMBL18555176	411.294	PWGKEHMXXLXVCT-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-159282
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CCC(c1cc(C)ccc1OCc1ccccc1)(N1CC2C(C1C)C2)c1ccccc1	PC-id_69684409,SCHEMBL6151753	411.578	YYMISRCGJOPBFQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159372
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Fc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@H]2Nc1ccc(nn1)c1cc(F)ccc1Cl	SCHEMBL21225146	412.863	IRDOIEZXWRDSSU-OEWRPIJISA-N	00100010000000110001110000000000000000000000000000000000	22-01-159609
Fc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@@H]2Nc1ccc(nn1)c1cc(F)ccc1Cl	SCHEMBL21225147	412.863	IRDOIEZXWRDSSU-OPMZPASUSA-N	00100010000000110001110000000000000000000000000000000000	22-01-159610
CC(C)(C)OC(=O)N1C(CC2(C1C2)COC)C(=O)N(Cc1cc(ccc1)Cl)F	PC-id_88921978	412.883	KTZDKFPJKLTHFC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159611
Clc1c(F)c([C@H](NC(=O)[C@H]2N(C[C@H]3[C@@H]2C3)C(=O)OC(C)(C)C)COC)ccc1	PC-id_68284071,SCHEMBL12480618	412.883	PJXWNXXAFGRYEP-CQPIRRRNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159612
Clc1c(F)c([C@H](NC(=O)[C@H]2N(C[C@@H]3[C@H]2C3)C(=O)OC(C)(C)C)COC)ccc1	PC-id_71009329,SCHEMBL13836697	412.883	PJXWNXXAFGRYEP-MDRZDLKXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159613
Clc1c(F)c([C@H](NC(=O)[C@H]2N([C@H]3[C@H](C3)C2)C(=O)OC(C)(C)C)CCO)ccc1	SCHEMBL12480788,PC-id_68284189	412.883	KFXNDATUYFHOHY-MPESAESLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159614
Clc1c(F)c([C@H](NC(=O)[C@H]2N([C@H]3[C@H](C3)C2)C(=O)OC(C)(C)C)COC)ccc1	SCHEMBL12481173,PC-id_68284464	412.883	FFEXCZFCGGSCIR-MPESAESLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159615
Clc1c(F)c(CNC(=O)C2N(C3C(C3)(C2)COC)C(=O)OC(C)(C)C)ccc1	PC-id_77462550	412.883	ZEFGVTNVKOKWRA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159616
Clc1c(F)c(C(NC(=O)C2N(C3C(C3)C2)C(=O)OC(C)(C)C)CCO)ccc1	PC-id_77462759	412.883	KFXNDATUYFHOHY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159617
Clc1c(F)c(C(NC(=O)C2N(C3C(C3)C2)C(=O)OC(C)(C)C)COC)ccc1	PC-id_77462888	412.883	FFEXCZFCGGSCIR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159618
Clc1c(F)c(C(NC(=O)C2N(CC3C2C3)C(=O)OC(C)(C)C)COC)ccc1	PC-id_77462701	412.883	PJXWNXXAFGRYEP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159619
Clc1c(F)c(CNC(=O)[C@H]2N([C@H]3[C@](C3)(C2)COC)C(=O)OC(C)(C)C)ccc1	PC-id_68284331,SCHEMBL12480984	412.883	ZEFGVTNVKOKWRA-MDOVXXIYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159620
Clc1c(F)c(CNC(=O)[C@H]2N([C@@H]3[C@@](C3)(C2)COC)C(=O)OC(C)(C)C)ccc1	SCHEMBL12480166,PC-id_68283741	412.883	ZEFGVTNVKOKWRA-AUSJPIAWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159621
COC[C@@]12C[C@H](N(C2C1)C(=O)OC(C)(C)C)C(=O)NCc1cccc(c1F)Cl	SCHEMBL19234236	412.883	ZEFGVTNVKOKWRA-UZMOSDRWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159622
COC[C@@]12C[C@H](N([C@H]2C1)C(=O)OC(C)(C)C)C(=O)N(Cc1cccc(c1)Cl)F	SCHEMBL12480171	412.883	KTZDKFPJKLTHFC-TWOQFEAHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159623
COC[C@]12C[C@H](N([C@@H]2C1)C(=O)OC(C)(C)C)C(=O)N(Cc1cccc(c1)Cl)F	SCHEMBL13836707	412.883	KTZDKFPJKLTHFC-YRNRMSPPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159624
Fc1ccc(c(c1)c1ccc(nn1)NC1C2C1CN(C2)Cc1cc(n(n1)C)C)Cl	SCHEMBL21225266,PC-id_139371558	412.891	ORRPMTCADOGUCX-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-159625
Fc1ccc(c(c1)c1ccc(nn1)NC1[C@@H]2[C@H]1CN(C2)Cc1cc(n(n1)C)C)Cl	PC-id_139371367,SCHEMBL21225023	412.891	ORRPMTCADOGUCX-QRTHJKPMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-159626
Fc1ccc(c(c1)c1ccc(nn1)NC1[C@H]2[C@H]1CN(C2)Cc1cc(n(n1)C)C)Cl	PC-id_139371557,SCHEMBL21225265	412.891	ORRPMTCADOGUCX-IAGOWNOFSA-N	00100010100000110001110000000000000000000000000000000000	22-01-159627
Fc1ccc(c(c1)c1ccc(nn1)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1cc(n(n1)C)C)Cl	SCHEMBL21225019	412.891	ORRPMTCADOGUCX-LFUKPOHLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-159628
Fc1ccc(c(c1)c1ccc(nn1)N[C@@H]1[C@H]2[C@@H]1CN(C2)Cc1cc(n(n1)C)C)Cl	SCHEMBL21225021	412.891	ORRPMTCADOGUCX-UPHUGPLXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-159629
Clc1cccc(c1)S(=O)(=O)N1CC2C(C1)C2COCCCCN1CCCC1	PC-id_69567980,SCHEMBL5793681	412.974	MXCCYRYHLZECRB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159630
CC(C)(C)OC(=O)N1CC[C@H]2[C@@]1(C2)C(=O)NC3=CC(=C(C=C3N)F)Br	PC-id_150469692	413.075	HRNOTTBPNOARKK-XLFHBGCDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159632
CC(C)(C)OC(N1[C@@H](C[C@]2([C@@H]1C2)CN=O)C(=O)NCc1c(c(ccc1)Cl)F)O	PC-id_164106181	413.152	XSYTZJMZKAGJLJ-XRSZJMFTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159633
CC1=CC=CC=C1SC2CCN(CC2)C(=O)CN=CC[C@H]4CC4/C3=C(C(=O)O)/N	PC-id_153536617	413.177	BTYRIDKPXIMNBP-XDMDINCMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-159634
CN(CC(=O)N)C(=O)CN1CC2C(C1)C2C[N-]CC3=CC(=CC=C3)OC(F)(F)F	PC-id_153871880	413.181	NQKFATQSZPTRNS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159635
Brc1cccc(c1)OC12CC1(C2)C(=O)Nc1ccnc(c1)C(F)(F)F	PC-id_144811183	413.189	RTGSCRVVUBSLBJ-UHFFFAOYSA-N	00101000000000111000010000000000000000000000000000000000	22-01-159636
C1C2C1C=C(C=C2)/C(=C/C=C(N)/NC3=CC=CC(=C3)C(=O)NCCC4=CC=NC=C4)/N	PC-id_164589447	413.222	HBNMLKDSSGEQES-OXERJBNGSA-N	00100000000011111000010000000000000000000000000000000000	22-01-159637
CC1(CC(=CC=C1)OC(F)(F)F)CNCC2C3C2CN(C3)CC(=O)N4CCCC4	PC-id_162115971	413.229	DAUWDEVJEZWLRR-UHFFFAOYSA-N	00100010000011000000010000000000000000000000000000000000	22-01-159638
CC1CCCC2(C(O2)(C(C(OC(=O)CCC(C(=O)C(C1)C)(C)C)C(=O)N)O)O)C	PC-id_154180281	413.241	TWLFXNKWSYSFOT-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-159639
CN1CCC(CC1)OC(=O)N2C[C@@H]3[C@H](C2)C3CCNC(=O)/C=C/C4=CN=C(C=C4)N	PC-id_153560066	413.243	CCJCTRJYWRYOSE-HLZPUOLESA-N	00100010000010101000010000000000000000000000000000000000	22-01-159640
C1CC(=C(C=C1)Cl)N=Nc1c(nc(nc1Cl)N)NC1(CCC2C1(C2O)O)O	PC-id_91501336	413.259	LUMVQFVPHKUWBK-UHFFFAOYSA-N	00100010000011100001010000000000000000000000000000000000	22-01-159641
Brc1cccc(n1)OC[C@]12C[C@H](N([C@@H]2C1)C(=O)OC(C)(C)C)C(=O)O	PC-id_135318445,SCHEMBL20488282	413.263	BZGXDHOEHVMACT-RVPKQNPDSA-N	00100010000000101000010000000000000000000000000000000000	22-01-159642
CCCCCCC(=C)C(CC1=CC(=CC2=C(C12)OC)CC(=O)OC)C(=NC(=N)N)C	PC-id_163631679	413.268	HWQCQDOHHOVDTF-UHFFFAOYSA-N	00110000000011000000010000000000000000000000000000000000	22-01-159643
c1ccc(cc1)OC(C(c1nc(ncn1)Oc1c2-c(c2)cc1)(C(F)(F)F)F)(F)F	PC-id_88527840	413.273	ZTMJXVLFGGUNHG-UHFFFAOYSA-N	00110010100000110001010000000000000000000000000000000000	22-01-159644
O=C([C@@H]1C[C@@]2([C@H](N1C(=O)OC(C)(C)C)C2)C)Nc1cccc(c1F)Br	PC-id_140887063	413.281	OICCABWDDVAXLE-JCGVRSQUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159645
O=C([C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)NCc1cc(Br)ccc1F	SCHEMBL17973855,PC-id_122451416	413.281	GRYRYNDPEKCUNF-WHOFXGATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159646
CCP1(=O)N([C@@]1(Cc1ccc2c(c1)P2(=O)CC)C(=O)O)C(=O)OC(C)(C)C	SCHEMBL7828563,PC-id_54252212	413.342	QXOATBHJXILJIK-KTVIAFJXSA-N	00100000000000100001010000000000000000000000000000000000	22-01-159647
P1(=O)(N(C1(Cc1cc2P(=O)(c2cc1)CC)C(=O)O)C(=O)OC(C)(C)C)CC	PC-id_76114139	413.342	QXOATBHJXILJIK-UHFFFAOYSA-N	00100000000000100001010000000000000000000000000000000000	22-01-159648
O(C(=O)C1C2C1CCC2(N)C(=O)OCC1OC(=O)OC1C)CC1OC(=O)OC1C	PC-id_77734777	413.376	XFYFOGTVPGHUQV-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-159649
O(C(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]2(N)C(=O)OCC1OC(=O)OC1C)CC1OC(=O)OC1C	PC-id_69872254	413.376	XFYFOGTVPGHUQV-VUTJKNODSA-N	00100010000010000001010000000000000000000000000000000000	22-01-159650
C1C2C(C2CN(Cc2ccccc2OC(F)(F)F)C(=O)Oc2cscn2)CN1	PC-id_90353358,SCHEMBL15967038	413.414	YJJQHSSHOVSKTL-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-159651
C1C2C(C2CN(Cc2cc(ccc2)OC(F)(F)F)C(=O)Oc2cscn2)CN1	SCHEMBL15966932,PC-id_90353260	413.414	RTQBOBPVJHLKTL-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-159652
OCCn1c(=O)n(CCCC(=O)OCC2CCC3C(C2)O3)c(=O)n(c1=O)CCO	PC-id_145660279	413.422	LKNUSPRWHZMYFG-UHFFFAOYSA-N	00100000000010100001010000000000000000000000000000000000	22-01-159653
CC(C)(C)NC(=O)CN1CC2C(C1)C2CNC(=O)c1cc(ccc1)OC(F)(F)F	PC-id_90353356,SCHEMBL15967036	413.434	NQVMDTGUYAQKAR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159654
FC(F)(F)Oc1cc(CNCC2C3C2CN(C3)CC(=O)N2CCOCC2)ccc1	PC-id_69470164,SCHEMBL5510843	413.434	JGMDXBAEWCPABS-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-159655
FC(F)(F)Oc1cc(CNCC2C3C2CN(C3)CC(=O)N2CC(O)CC2)ccc1	SCHEMBL710781,PC-id_66775748	413.434	LXEPPUDEEGFSDH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159656
O=C(C1C2C1CN(C2)C(=O)OC(C)(C)C)NC(c1ncccc1C(F)(F)F)(C)C	SCHEMBL19724401	413.434	QJKBPRREESSNNU-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-159657
O=C(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(c1ncccc1C(F)(F)F)(C)C	PC-id_117709317	413.434	QJKBPRREESSNNU-ONXXMXGDSA-N	00100010000000101000010000000000000000000000000000000000	22-01-159658
O=C([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(c1ncccc1C(F)(F)F)(C)C	SCHEMBL16252880	413.434	QJKBPRREESSNNU-IMRBUKKESA-N	00100010000000101000010000000000000000000000000000000000	22-01-159659
Fc1ccc(C(=O)N2CC3C(C3N(CC(=O)N3C(CCC3)C#N)CC(=O)N)C2)cc1	SCHEMBL4896253,PC-id_69232800	413.445	WMOZWKQNFHOVGH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159660
Fc1ccc(C(=O)N2CC3C(C3N(CC(=O)N3C(CCC3)C#N)C(=O)CN)C2)cc1	SCHEMBL4896242,PC-id_69232797	413.445	IUHZJPUIMASTSN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159661
Fc1ccc(C(=O)N2CC3C(C3N(CC(=O)N3[C@@H](CCC3)C#N)CC(=O)N)C2)cc1	SCHEMBL4886248,PC-id_69229261	413.445	WMOZWKQNFHOVGH-AKJOHPPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159662
Fc1ccc(C(=O)N2CC3C(C3N(CC(=O)N3[C@@H](CCC3)C#N)C(=O)CN)C2)cc1	PC-id_69232804,SCHEMBL4896261	413.445	IUHZJPUIMASTSN-AKJOHPPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159663
Fc1ccc(C(=O)N2CC3C(C3NCC(=O)NCC(=O)N3C(CCC3)C#N)C2)cc1	PC-id_69136587,SCHEMBL4667700	413.445	PITFJJXRXHQMDC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159664
Fc1ccc(C(=O)N2CC3C(C3NC(=O)CNCC(=O)N3C(CCC3)C#N)C2)cc1	PC-id_69136582,SCHEMBL4667692	413.445	SWOJMXAPAOQCQG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159665
Fc1ccc(C(=O)N2CC3C(C3NC(=O)CNCC(=O)N3[C@@H](CCC3)C#N)C2)cc1	PC-id_16224323,SCHEMBL4898863	413.445	SWOJMXAPAOQCQG-AKJOHPPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159666
FC1CC(N(C1)C(=O)CNC1C2C1CN(C2)C(=O)c1ccc(cc1)NC(=O)C)C#N	SCHEMBL4894613,PC-id_69232205	413.445	MUDHULFQAQNXAF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159667
F[C@H]1C[C@H](N(C1)C(=O)CNC1C2C1CN(C2)C(=O)c1ccc(cc1)NC(=O)C)C#N	SCHEMBL4894610,PC-id_16224709	413.445	MUDHULFQAQNXAF-XKMPGPQSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159668
O=C(N(C1CCC2C(C1)C2)CCN1CCCC1)Nc1ccc(c(c1)C(F)(F)F)F	PC-id_142251167	413.452	KFVCXXDDBYFQJK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-159669
O=C(C(S(=O)(=O)c1ccc(cc1)C)(C)C)NC12C=CC=C(CC2C1)C(F)(F)F	PC-id_70666041,SCHEMBL12102179	413.454	APEKGZFAHQQNMM-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-159670
COCOC(=O)[C@]1(N)C(CSc2ccc(cc2)F)[C@H]([C@@H]2[C@H]1[C@H]2C(=O)OCO)C	PC-id_144383393	413.46	JTGOVDRWSDEGPR-ICDQOKTBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-159671
CCC1(CC(C2C1(C2C(=O)O)CC)CC(=O)OC)C(=O)ONC(=O)OC(C)(C)C	PC-id_88042763,SCHEMBL6795514	413.462	COLRPZGIZFXVIM-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-159672
CCOC(=O)C1C2C1C(CC2CC(=O)OC)(C(=O)OCC)NC(=O)OC(C)(C)C	PC-id_90728938	413.462	GXXQCYLKKBLEDF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-159673
O(C(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]2(N)C(=O)OCOC(=O)C(C)(C)C)COC(=O)C(C)(C)C	PC-id_10195137	413.462	UAGIEAYLNQAXNO-DHSUFXDVSA-N	00100010000010000000010000000000000000000000000000000000	22-01-159674
C=CCOC(=O)N[C@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)OCC=C)C(=O)OCc1ccccc1C	SCHEMBL5841687,PC-id_58630906	413.464	MMXSNFXOLYNMHT-KGYLXKDPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-159675
O(C(=O)C1C2C1CCC2(NC(=O)OCC=C)C(=O)OCc1c(cccc1)C)CC=C	PC-id_23569577	413.464	MMXSNFXOLYNMHT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-159676
CCOC(=O)[C@]1(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C[C@@H]([C@@H]2[C@H]1[C@H]2C)O	PC-id_58403688,SCHEMBL1101461	413.465	MJUYWJULNYBUCP-CWEGWQLVSA-N	00100010000010000000010000000000000000000000000000000000	22-01-159677
OC1C2C(C2C)C(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)(C1)C(=O)OCC	PC-id_76777659	413.465	MJUYWJULNYBUCP-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-159678
CCOC(=O)[C@H]1[C@@H]2C1N(C)C(=O)[C@H](CC2)NC(=O)C(=NC=NCc1ccccc1)N	PC-id_145408054	413.47	MTIOZGAMGYFNDG-WTYVYLTKSA-N	00100000000000110100010000000000000000000000000000000000	22-01-159679
CCOC(=O)[C@@H]1[C@H]2[C@@H]1N(C)C(=O)[C@H](CC2)NC(=O)C(=N)/N=CNCc1ccccc1	SCHEMBL19659185	413.47	MTIOZGAMGYFNDG-NXOAAHMSSA-N	00100000000000110100010000000000000000000000000000000000	22-01-159680
CCOC(=O)[C@H]1[C@@H]2[C@H]1N(C)C(=O)[C@H](CC2)NC(=O)C(=N)/N=CNCc1ccccc1	SCHEMBL19659186	413.47	MTIOZGAMGYFNDG-LTIDMASMSA-N	00100000000000110100010000000000000000000000000000000000	22-01-159681
CCC(N(C(=O)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F)C)C	PC-id_69470673,SCHEMBL5512180	413.477	KSBCCLFMJBDXFC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159682
CCN(C(=O)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F)C(C)C	SCHEMBL5511263,PC-id_69470360	413.477	XWYDCTRBQPZJDX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159683
FC(F)(F)Oc1cc(CNCC2C3C2CN(C3)CC(=O)NCC(C)(C)C)ccc1	SCHEMBL5513125,PC-id_69471060	413.477	OCEYXEMUFCEUEV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159684
S(=O)(=O)(N1C2C(C2C(=O)OCC)C(=O)C1Cc1ccccc1)c1ccc(cc1)C	PC-id_76452430	413.487	JQDWZBTUOQFLTI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-159685
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O=C(C1N(CC2C1C2(C)C)C(=O)C(CCC=C)C)CC(CCCCC=C)C(=O)OC	PC-id_76756057	417.581	NLBNMLIQNRUDBQ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-160401
O=C([C@H]1N(CC2C1C2(C)C)C(=O)[C@H](CCC=C)C)C[C@@H](CCCCC=C)C(=O)OC	PC-id_58311214	417.581	NLBNMLIQNRUDBQ-WGGGUUHVSA-N	00100010000000000000010000000000000000000000000000000000	22-01-160402
C=C/C=CC(=C(C)C)CCC(C(=O)C(=O)C1=C/C(=C/C)/C(N1)C)CC1CC(=C)C2=C1C2	PC-id_143682289	417.583	KOBZGYIDGBTWSQ-NKZMBIDZSA-N	00110011000000000000010000000000000000000000000000000000	22-01-160403
CCc1ccc(cc1)CN1CC2C(C1)C2CNC(=O)c1ccc(cc1)N1CCCCC1	PC-id_69035553,SCHEMBL4417470	417.586	IZJNVVQDVVJJCD-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-160404
O=C1CCCN1c1ccc(cc1)NCC1C2C1CN(C2)Cc1ccc(cc1)C(C)(C)C	SCHEMBL4418921,PC-id_69036213	417.586	OJHIROPLIQGQNL-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-160405
FC(=Cc1ccccn1)C1(C)OCCCCCCCCCCCC2C(C1(C)C)(C)O2	PC-id_141104276	417.6	HCAWXESUKRBBCF-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-160406
Cc1nc(cs1)C=C(C)C1CC2C(O2)CC=CCCCCC(CCC(=O)O1)(C)C	PC-id_89046928	417.605	KCNJWNDPKFJRJO-UHFFFAOYSA-N	00100000100000000111010000000000000000000000000000000000	22-01-160407
O=C1CCC(C)(C)CCCC/C=CC[C@@H]2C(C[C@H](O1)/C(=C/c1csc(n1)C)/C)O2	SCHEMBL10095193	417.605	KCNJWNDPKFJRJO-IUYHKOKZSA-N	00100000100000000111010000000000000000000000000000000000	22-01-160408
O=C1CCC(C)(C)CCCC/C=C/C[C@@H]2C(C[C@H](O1)/C(=C/c1csc(n1)C)/C)O2	SCHEMBL13265011	417.605	KCNJWNDPKFJRJO-VZDASTFESA-N	00100000100000000111010000000000000000000000000000000000	22-01-160409
O=C1CCC(C)(C)CCCC/C=CC[C@@H]2[C@H](C[C@H](O1)/C(=C/c1csc(n1)C)/C)O2	SCHEMBL12230318	417.605	KCNJWNDPKFJRJO-VMVLAPHGSA-N	00100000100000000111010000000000000000000000000000000000	22-01-160410
O=C1CCC(C)(C)CCCC/C=C/C[C@@H]2[C@H](C[C@H](O1)/C(=C/c1csc(n1)C)/C)O2	SCHEMBL15195674	417.605	KCNJWNDPKFJRJO-UFLHDSQMSA-N	00100000100000000111010000000000000000000000000000000000	22-01-160411
s1cc(nc1C)/C=C(/C1OC(=O)CCC(CCCCC=CCC2OC2C1)(C)C)C	PC-id_18719898	417.605	KCNJWNDPKFJRJO-SUTWXLSDSA-N	00100000100000000111010000000000000000000000000000000000	22-01-160412
s1cc(nc1C)/C=C(/[C@H]1OC(=O)CCC(CCCCC=CCC2OC2C1)(C)C)C	PC-id_60128090	417.605	KCNJWNDPKFJRJO-SUHYYZROSA-N	00100000100000000111010000000000000000000000000000000000	22-01-160413
s1cc(nc1C)/C=C(/[C@H]1OC(=O)CCC(CCCCC=CCC2O[C@H]2C1)(C)C)C	PC-id_59097249	417.605	KCNJWNDPKFJRJO-LVASFXRASA-N	00100000100000000111010000000000000000000000000000000000	22-01-160414
s1cc(nc1C)/C=C(/[C@H]1OC(=O)CCC(CCCCC=CC[C@H]2OC2C1)(C)C)C	PC-id_59984985	417.605	KCNJWNDPKFJRJO-JMPCNMPMSA-N	00100000100000000111010000000000000000000000000000000000	22-01-160415
s1cc(nc1C)/C=C(/[C@H]1OC(=O)CCC(CCCCC=CC[C@H]2O[C@H]2C1)(C)C)C	PC-id_10740701	417.605	KCNJWNDPKFJRJO-ODVPPWAASA-N	00100000100000000111010000000000000000000000000000000000	22-01-160416
CCC(C(C)(C)C)NC(=O)NC(C(=C)N1C[C@H]2[C@@H](C1C(=O)C)C2)C1CCCCCC1	PC-id_143105028	417.628	LGJYYAIAPSPJIF-PDGLIMJKSA-N	00100010000000000100010000000000000000000000000000000000	22-01-160417
CCN(CC)COCC12CN1C(C=C2)C(CC1(CCCNCC1)O)C1CCCC=C1	PC-id_89292909,SCHEMBL14285848	417.628	XHIIQGUVLYGWTL-UHFFFAOYSA-N	00100011000011000100010000000000000000000000000000000000	22-01-160418
[2H]C1[C@@]2([C@@]1([2H])C([2H])([2H])N([C@](C2([2H])[2H])([2H])CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C(=O)O)[2H]	SCHEMBL2794152	417.643	WZMARCQNGQKEJA-KVYWCRMESA-N	00100000000010110000010000000000000000000000000000000000	22-01-160419
ClC1NC(CC1C(=O)c1cccc(c1F)OCC1CC2C(C1)C2(F)F)C(=O)O	PC-id_141479628	417.807	WEKQDKNPOVKQAB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160420
OC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)c(cc1F)OCC1CC2[C@H](C1)C2(F)F	PC-id_144996213	417.807	KTQWAQNNRFAVKA-IMIUQEMDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160421
OC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)c(cc1F)OCC1C[C@@H]2[C@H](C1)C2(F)F	SCHEMBL19075805,PC-id_118653643	417.807	KTQWAQNNRFAVKA-TVBVRFQCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160422
OC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)c(cc1F)OC[C@@H]1CC2C(C1)C2(F)F	SCHEMBL19083847	417.807	KTQWAQNNRFAVKA-YAUIDTMTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160423
OC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)c(cc1F)OC[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	SCHEMBL17428380	417.807	KTQWAQNNRFAVKA-BTABJRDXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160424
C[Si](C)(C)OC(C1CCC2C(C1)O2)C(O[Si](C)(C)C)(O[Si](C)(C)C)[Si]	PC-id_89809675	417.815	YCJYHSAUZILXOB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160425
C[Si](C)(C)OC(C(C1CCC2C(C1)O2)(O[Si](C)(C)C)[Si])O[Si](C)(C)C	PC-id_89809676	417.815	REBJIQLTPHJUNT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160426
[Si](C1([Si](C(C)C)(C(C)C)C(C)C)c2c1ccc(N)c2)(C(C)C)(C(C)C)C(C)C	PC-id_13667749	417.818	SASHGWLEJPNKCL-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-160427
Clc1ncc(s1)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F	SCHEMBL5506084,PC-id_69467951	417.876	COMVKWCMNDKVFH-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-160428
CC(C)(C)OC(=O)NCC1C2CC2CN1S(=O)(=O)c1c(ccc(c1O)N)Cl	PC-id_89319883	417.908	PPHQCJCIJCMYPF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160429
O=C(OC(C)(C)C)NC[C@@H]1C2CC2CN1S(=O)(=O)c1c(Cl)ccc(c1O)N	SCHEMBL14385504	417.908	PPHQCJCIJCMYPF-SRHKJQAYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160430
CC1(CCC2C1(C2O)C)Nc1c(c(nc(n1)NCc1ccccc1)Cl)C(=S)N	PC-id_90732586	417.955	UFUAEYSUQBXNSX-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-160431
CCOC(=O)C1CCC2C1(C2(C(=O)OCC)F)OCc1cc(c(cc1)Cl)Cl	PC-id_163833007	418.075	OFHVNZPXZNLUQQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160432
CC1(C2(C1(C(C(C(C2(C=O)C=O)(CC=O)C=O)(C=O)C=O)(C=O)C=O)C=O)C=O)C	PC-id_153527244	418.09	RHFYTRVTYNJATJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160433
BrC(c1scc(c1Br)C(F)(F)F)C1C2C1CCCC2	PC-id_112745613	418.111	BFBTYEPQEUXDQN-UHFFFAOYSA-N	00100000100110000000010000000000000000000000000000000000	22-01-160434
CC[C@@H](C1[C@@H]2[C@@H]1CC(C2)OC3=C(C=CN=C3C)Cl)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153517117	418.121	JGHYIUUPVNYGMD-OOOMTDJDSA-N	00100010000010111000010000000000000000000000000000000000	22-01-160435
CCC1(C(O[Si@](O1)(CCCSSCCC[Si@]23C(C2(C3=C)C)C)O)C)C	PC-id_152961085	418.149	UQOUAPARKZMHCD-GIXAYFNSSA-N	00100010000000000001010000000000000000000000000000000000	22-01-160436
C1CCOC(C1)OC[C@@]12C[C@H](N[C@@H]1C2)C(=O)Nc1c(c(ccc1)OC(F)(F)F)F	PC-id_163784989	418.152	MRTSRIMVAVLWQA-NJUUMIEDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160437
C1C2C(C2(C(=O)O)F)C(C1OC(=O)c1cc(c(cc1)Cl)Cl)(C(=O)O)[N-][N+]#N	PC-id_90994196	418.161	SVIGGQAZNSDDLD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160438
C1C(CC2C1C2/C(=C/C(=N)C3=CC(=C(N=C3)N)OC(F)(F)F)/N)OC4=CC=CC=C4	PC-id_154971547	418.162	KVOMIUFTUNAMKH-BHUXCSGYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-160439
BrC(C1C2C1CCC2)c1cc(OCC)c(OCC)cc1Br	PC-id_81637991	418.163	ZQZSKHNDNAAZSN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160440
BrC(C1CC2C(C2)C1)c1cc(OCC)c(OCC)cc1Br	PC-id_80468907	418.163	IJAKGKNEZDQAFN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160441
COCCOc1ccc(cc1Br)C(C1C2C1CCCC2)Br	PC-id_104662367	418.163	IFQOZYDQJZLELB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-160442
CC(C)(CN1C[C@@H]2[C@H](C1)C2COC3=CN=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C)F	PC-id_147552528	418.173	FRAXMYGIPYJFPW-YOFSQIOKSA-N	00100010000000111000110000000000000000000000000000000000	22-01-160443
CC[C@@H]1C[C@@H](C[C@@H]([C@@H]2[C@H]1O2)NC)OC(=O)NC3=C(C=C(C=C3)F)C4=CC=C(S4)C	PC-id_155157024	418.173	JNFNMSGAUOLVCY-GILOPPEBSA-N	00100000100100110100110000000000000000000000000000000000	22-01-160444
CC[C@@H]1C[C@@H](C[C@@H]([C@@H]2[C@H]1O2)NC)OC(=O)NC3=C(C=C(C=C3)F)C4=CC(=CS4)C	PC-id_155157207	418.173	BGXPYFVIDJRCKG-GILOPPEBSA-N	00100000100100110100110000000000000000000000000000000000	22-01-160445
CC[C@@H]1C[C@@H](C[C@@H]([C@@H]2[C@H]1O2)NC)OC(=O)NC3=C(C=C(C=C3)F)C4=C(C=CS4)C	PC-id_155157224	418.173	ONALUIGPADFTKI-BWFCJQBJSA-N	00100000100100110100110000000000000000000000000000000000	22-01-160446
CN(C(=O)CCCC(=O)ON1C(=O)CCC1=O)OC(=O)CC1[C@H]2[C@@H]1CCC#CCC2	PC-id_163543988	418.174	FDLFBJPBGQUJCR-XYPWUTKMSA-N	00100010000000000110010000000000000000000000000000000000	22-01-160447
CN(C(=O)CCCC(=O)ON1C(=O)C=CC1=O)OC(=O)CC1[C@H]2[C@@H]1CCC=CCC2	PC-id_164079123	418.174	WWCVSXAAKTZJGL-XYPWUTKMSA-N	00100011000000000110010000000000000000000000000000000000	22-01-160448
COC(=O)C(C1[C@H]2[C@@H]1CC(C2)N(/C=C(/C1CC1)N)N)NC(=O)c1ccc(cc1)Cl	PC-id_164004536	418.177	ULWAUXKZEMOQBC-XUVGBGNJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160449
CN1CCC[C@H]1COc1ccc(cc1)NC(=S)N=C(N)SC[C@@]12CCCC1C2	PC-id_163550179	418.186	FIKIJDMUABBWGT-DJYSHGJYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160450
COC(=O)NC1CC(C2(C1C2C(=O)O)OCc1ccc(c(c1)Cl)Cl)C(=O)O	PC-id_142792858	418.225	JBMGGSKKKBUYKJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160451
C=CC1CCCCC1(COC(=O)C2CCC3C(C2)O3)COC(=O)C4CCC5C(C4)O5	PC-id_161331801	418.236	VLNBGDNFYNAPCB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160452
C[C@]12C[C@H]1N(C(C2)C(=O)Nc1nc(c(cc1CSC)F)Br)C(=O)O	PC-id_135318843,SCHEMBL20488716	418.281	DEIWNGKFZIQWDF-FTBWOMCISA-N	00100010000000101000010000000000000000000000000000000000	22-01-160453
C[C@@]12C[C@H](N([C@@H]1C2)C(=O)O)C(=O)Nc1nc(c(cc1CSC)F)Br	SCHEMBL20488838,PC-id_135318954	418.281	DEIWNGKFZIQWDF-WMFXKJRFSA-N	00100010000000101000010000000000000000000000000000000000	22-01-160454
COCOc1c(Br)cc(cc1c1ccccc1)C(=O)NC1C2C1COC2	PC-id_141672031	418.281	KDKQAABJOODVOL-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-160455
COCOc1c(Br)cc(cc1c1ccccc1)C(=O)NC1[C@@H]2[C@H]1COC2	PC-id_138618808,SCHEMBL20983348	418.281	KDKQAABJOODVOL-BYICEURKSA-N	00100010000000110000110000000000000000000000000000000000	22-01-160456
COCOc1c(Br)cc(cc1c1ccccc1)C(=O)N[C@@H]1[C@H]2[C@@H]1COC2	SCHEMBL20983347	418.281	KDKQAABJOODVOL-ALXJQNPVSA-N	00100010000000110000110000000000000000000000000000000000	22-01-160457
C[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)CC(CC3CCC3)C(=O)C(=O)N)C2(C)C)C(C)(C)C	PC-id_161512889	418.283	WIIBYSYWVGEMIP-ZBOGSRDLSA-N	00101010000000000000010000000000000000000000000000000000	22-01-160458
CCOC(=O)C1CCC2C1(NCc1ccc(c(c1)Cl)Cl)C2(F)C(=O)OCC	PC-id_141104371	418.287	NDNZACJIUJRKDM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160459
CCOC(=O)C1C(NCc2ccc(c(c2)Cl)Cl)CC2C1C2(F)C(=O)OCC	PC-id_141104376	418.287	XTVAYHLGCDOSHL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160460
CCCN(CCC(C)CC)C(=O)CN=C
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BrC1CC2C(C2(C)C)CC1(OC1C(N(C1=O)c1ccccc1)C=CC)C	PC-id_72953884	418.367	KTEDNGNZQWNXJC-UHFFFAOYSA-N	00101000000010110000110000000000000000000000000000000000	22-01-160462
Br[C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(O[C@@H]1[C@@H](N(C1=O)c1ccccc1)/C=C/C)C	PC-id_11418665	418.367	KTEDNGNZQWNXJC-RPDIGAJXSA-N	00101000000010110000110000000000000000000000000000000000	22-01-160463
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C1C2(C1(C(C(C(C2(CNc1cccc(c1)C(CCN)O)O)(O)O)(O)O)(O)O)O)O	PC-id_91107945	418.396	LTKADCGFDCMNGS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-160466
O(C1C2N(C2)C(=C(NC(=O)OC)C(=O)OC)C1OC(=O)C)C(=O)Cc1ccccc1	PC-id_85162326	418.397	MUKOLSZHKIRHBO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160467
O([C@@H]1[C@H]2N(C2)/C(=C(NC(=O)OC)/C(=O)OC)/[C@H]1OC(=O)C)C(=O)Cc1ccccc1	PC-id_10502107	418.397	MUKOLSZHKIRHBO-HJMYSJRZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160468
O([C@@H]1[C@H]2N(C2)/C(=C(/NC(=O)OC)C(=O)OC)/[C@H]1OC(=O)C)C(=O)Cc1ccccc1	PC-id_10740718	418.397	MUKOLSZHKIRHBO-AMWMCKKGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160469
CCC12C(=O)C(CC2C1C(=O)O)Cc1cccc(c1)Oc1cccc(c1)C(F)(F)F	PC-id_67685259,SCHEMBL8764251	418.406	IOSGOUNGGVEKLP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160470
CCC1(C(=O)O)C2C1CC(C2=O)Cc1cccc(c1)Oc1cccc(c1)C(F)(F)F	PC-id_67722881,SCHEMBL8907768	418.406	NELRYWLDGZWCOU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160471
COC(=O)C1(C[C@@H]2[C@](C1)(C2)C#C[C@@]12C[C@@H]1CC(C2)(C(=O)OC)C(=O)OC)C(=O)OC	PC-id_101411671	418.437	ZIIRNLLSXYAYPD-NSMLZSOPSA-N	00100010000010000000010000000000000000000000000000000000	22-01-160472
COC(=O)C1(C[C@@H]2[C@](C1)(C2)C#C[C@]12C[C@H]1CC(C2)(C(=O)OC)C(=O)OC)C(=O)OC	PC-id_101411675	418.437	ZIIRNLLSXYAYPD-GOFCXKROSA-N	00100010000010000000010000000000000000000000000000000000	22-01-160473
ICC1C2(C1(CC(C2)CC(C)(C)C)CC(C)(C)C)C(C)(C)C	PC-id_139337829	418.439	UYODGVMRHGXISD-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-160474
IC[C@@H]1C2(C1(CC(C2)CC(C)(C)C)CC(C)(C)C)C(C)(C)C	SCHEMBL21186604	418.439	UYODGVMRHGXISD-IPMAOXETSA-N	00100010000010000000010000000000000000000000000000000000	22-01-160475
Cc1ccc(cc1)CCN1CC2C(C1)C2CNC(=O)c1cccc(c1)OC(F)(F)F	SCHEMBL5506923,PC-id_69468421	418.452	BKOSQSDTHBGLNS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160476
Cc1ccc(c(c1)C)CN1CC2C(C1)C2CNC(=O)c1cccc(c1)OC(F)(F)F	SCHEMBL5517613,PC-id_69472811	418.452	LFBJADRQPWOBMR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160477
Cc1cc(cc(c1)CN1CC2C(C1)C2CNC(=O)c1cc(ccc1)OC(F)(F)F)C	PC-id_90353491,SCHEMBL15967168	418.452	GBGTXTLTYLPTKE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160478
CCc1ccc(cc1)CN1CC2C(C1)C2CNC(=O)c1cccc(c1)OC(F)(F)F	PC-id_69470674,SCHEMBL5512182	418.452	RHKGICCDEQROCY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160479
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Cc1ccc(cc1)C(N1C[C@@H]2[C@H](C1)C2NC(=O)C(c1ccccc1)(C1CCCC1)O)C	BindingDB_PC-id_10251468,PC-id_10251468	418.571	AUEHDRBMNXBWBT-UWOANLGQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160632
Cc1ccc(C(C)N2C[C@H]3[C@H](NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1	CHEMBL249006	418.571	AUEHDRBMNXBWBT-NOBOYYATSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160633
CC1N(Cc2ccccc2)CC2C1C2CNC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4618205,PC-id_16039259	418.571	JEVNEJYKYVWOBK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160634
CC(c1ccccc1)N1CC2C(C1)C2NC(=O)C(c1ccccc1)(C1CCCCC1)O	PC-id_68902807,SCHEMBL4076604	418.571	LCDQNPJMKVBLRS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160635
CC(c1ccccc1)N1CC2[C@H](C1)[C@H]2NC(=O)C(c1ccccc1)(C1CCCCC1)O	SCHEMBL5948374	418.571	LCDQNPJMKVBLRS-WGXRROEQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160636
CC(c1ccccc1)N1C[C@@H]2[C@H](C1)C2NC(=O)C(c1ccccc1)(C1CCCCC1)O	BindingDB_PC-id_10025038,PC-id_10025038	418.571	LCDQNPJMKVBLRS-UWOANLGQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160637
CC(c1ccccc1)N1C[C@H]2[C@H](NC(=O)C(O)(c3ccccc3)C3CCCCC3)[C@H]2C1	CHEMBL437781	418.571	LCDQNPJMKVBLRS-NOBOYYATSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160638
CN(C1C2C1CN(C2)Cc1ccccc1)C1CCC(C1)C(c1ccccc1)(C(=O)C)O	SCHEMBL5239997,PC-id_69366978	418.571	IQHIHJJBZZWWIB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160639
CN(C1C2C1CN(C2)Cc1ccccc1)CC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4886779,PC-id_11582477	418.571	XXRCVOKNFXLLHS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160640
CN(C1C2C1CN(C2)Cc1ccccc1)C(=O)C(C(C1CCCC1)c1ccccc1)O	PC-id_90710550	418.571	KTUCGFHWPVABKJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160641
CN(C(=O)C(c1ccccc1)(C1CCCC1)O)CC1C2C1CN(C2)Cc1ccccc1	PC-id_69117180,SCHEMBL4620525	418.571	AIXZJFHEXVPIGC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160642
CN(C(=O)[C@](c1ccccc1)(C1CCCC1)O)C[C@@H]1[C@@H]2C1CN(C2)Cc1ccccc1	SCHEMBL4143564	418.571	AIXZJFHEXVPIGC-QNEPBUDQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160643
CN(C(=O)C(c1ccccc1)(c1ccccc1)O)CC1C2C1CN(C2)CCC=C(C)C	SCHEMBL4619558,PC-id_16038711	418.571	VPQZCASRUNFQMQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160644
COC(c1ccccc1)(C(=O)NCC1C2C1CN(C2)Cc1ccccc1)C1CCCC1	PC-id_16039543,SCHEMBL4617996	418.571	RMMNHHKOLOSCBR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160645
NC(C1(Cc2ccccc2)CC2C(C1)C2)NC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4803622,PC-id_69197661	418.571	KCBWJLNRNBHEKQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160646
OC(C1CCCC1)(C(=O)CNCC1C2C1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_69229439,SCHEMBL4886775	418.571	NLGFPVQGJBPNCS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160647
O=C([C@@](c1ccccc1)(C1CCCC1)O)NC1[C@@H]2[C@H]1CN(C2)CCCc1ccccc1	BindingDB_PC-id_91930079	418.571	DJBRSVQJAQGQJK-MSKGHIIKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160648
O=C(C(c1ccccc1)(C1CCCC1)O)NCC1C2C1CN(C2)CCc1ccccc1	PC-id_16039409,SCHEMBL4878755	418.571	AXLOLBOKFZGFOS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160649
O=C(C(c1ccccc1)(C1CCCC1)O)N[C@@H]1[C@@H]2C1CN(C2)CCCc1ccccc1	SCHEMBL5948499	418.571	DJBRSVQJAQGQJK-RMOUPCFJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160650
O=C(C(c1ccccc1)(C1CCCCC1)O)NCC1C2C1CN(C2)Cc1ccccc1	SCHEMBL5105635,PC-id_10002113	418.571	GBATUIQOCGQEID-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160651
O=C(C(c1ccccc1)(C1CCCCC1)O)NC[C@@H]1[C@@H]2C1CN(C2)Cc1ccccc1	SCHEMBL4479855	418.571	GBATUIQOCGQEID-ZXTMCDAISA-N	00100010000010110000010000000000000000000000000000000000	22-01-160652
O=C(C(c1ccccc1)(C1CCCCCC1)O)NC1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	PC-id_44443724,BindingDB_PC-id_44443724	418.571	RKDBPJCLTVDAHN-XRNSRTRQSA-N	00100010000000110100010000000000000000000000000000000000	22-01-160653
O=C(C(c1ccccc1)(C1CCCCCC1)O)N[C@@H]1[C@@H]2C1CN(C2)Cc1ccccc1	SCHEMBL5948227	418.571	RKDBPJCLTVDAHN-RMOUPCFJSA-N	00100010000000110100010000000000000000000000000000000000	22-01-160654
O(C(C(=O)NC1C2C1CN(C2)Cc1ccccc1)(C1CCCCC1)c1ccccc1)C	PC-id_10477139	418.571	CDIVKTWBQPFSCN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160655
OC(C(=O)NCC1C2C1CN(C2)Cc1ccccc1)(C1CCCC1)c1ccc(cc1)C	PC-id_11373471	418.571	HCLFVVICMMHZEK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160656
OC(C(=O)NCC1C2C1CN(C2)Cc1cc(ccc1)C)(C1CCCC1)c1ccccc1	PC-id_11200926	418.571	RCCJDLAAQMAQJK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160657
OC(C(=O)NCC1C2C1CN(C2)Cc1ccc(cc1)C)(C1CCCC1)c1ccccc1	PC-id_11750462	418.571	XLDMWYUYKJZVFM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160658
OC(C(=O)NCC1C2C1CN(C2)C(C)c1ccccc1)(C1CCCC1)c1ccccc1	PC-id_10387313	418.571	LZSRJELYQFHMNX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160659
O[C@@](C(=O)NCC1C2[C@@H]1CN(C2)Cc1ccccc1)(C1CCCC1)c1cc(ccc1)C	PC-id_68926978	418.571	UPWRSXHWHPNTLT-BFACWELYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160660
OC(C(=O)NCC1C2[C@@H]1CN(C2)Cc1ccccc1)(C1CCCC1)c1cc(ccc1)C	PC-id_69313493	418.571	UPWRSXHWHPNTLT-QMNFSNJMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160661
OC(C(=O)NCC1C2[C@@H]1CN(C2)Cc1ccccc1)(C1CCCCC1)c1ccccc1	PC-id_69059119	418.571	GBATUIQOCGQEID-QMNFSNJMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160662
O[C@@](C(=O)NCC1C2[C@@H]1CN(C2)Cc1ccc(cc1)C)(C1CCCC1)c1ccccc1	PC-id_68928408	418.571	XLDMWYUYKJZVFM-BFYIRWQESA-N	00100010000000110000010000000000000000000000000000000000	22-01-160663
O[C@@](C(=O)NCC1C2[C@@H]1CN(C2)Cc1cc(ccc1)C)(C1CCCC1)c1ccccc1	PC-id_68929709	418.571	RCCJDLAAQMAQJK-BFYIRWQESA-N	00100010000000110000010000000000000000000000000000000000	22-01-160664
O[C@](C(=O)N(CC1C2[C@@H]1CN(C2)Cc1ccccc1)C)(C1CCCC1)c1ccccc1	PC-id_68929850	418.571	AIXZJFHEXVPIGC-BFACWELYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160665
O=C(NC1C2C1CN(C2)Cc1ccccc1)C(O)(C1CCCCC1)c1ccc(cc1)C	PC-id_10477138	418.571	YKVSZDNTFQGHKG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160666
O=C(NC1C2C1CN(C2)Cc1ccccc1)C(O)(C1CCCCCC1)c1ccccc1	PC-id_77686184	418.571	RKDBPJCLTVDAHN-UHFFFAOYSA-N	00100010000000110100010000000000000000000000000000000000	22-01-160667
O=C(NC1C2C1CN(C2)CCc1ccccc1)C(O)(C1CCCCC1)c1ccccc1	PC-id_10341980	418.571	MZBKYTVOTHWSKP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160668
O=C(NC1C2[C@@H]1CN(C2)Cc1ccccc1)C(O)(C1CCCCCC1)c1ccccc1	PC-id_69617309	418.571	RKDBPJCLTVDAHN-LWKWMVGZSA-N	00100010000000110100010000000000000000000000000000000000	22-01-160669
O=C(NC1C2[C@@H]1CN(C2)C(C)c1ccc(cc1)C)C(O)(C1CCCC1)c1ccccc1	PC-id_69617292	418.571	AUEHDRBMNXBWBT-FODOPWHKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160670
O=C(NC1C2[C@@H]1CN(C2)C(C)c1ccccc1)C(O)(C1CCCCC1)c1ccccc1	PC-id_69617356	418.571	LCDQNPJMKVBLRS-FODOPWHKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160671
O=C(NC1C2[C@@H]1CN(C2)CCCc1ccccc1)C(O)(C1CCCC1)c1ccccc1	PC-id_69617392	418.571	DJBRSVQJAQGQJK-LWKWMVGZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160672
O=C(NC1[C@H]2[C@@H]1CN(C2)CCCc1ccccc1)C(O)(C1CCCC1)c1ccccc1	PC-id_46905988	418.571	DJBRSVQJAQGQJK-XRNSRTRQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160673
O=C(NC(C1C2C1CN(C2)Cc1ccccc1)C)C(O)(C1CCCC1)c1ccccc1	PC-id_10477140	418.571	XDTNGSYAZAPJHF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160674
O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(O)(c1ccccc1)C1CCCCCC1	CHEMBL248614	418.571	RKDBPJCLTVDAHN-CPYPIWFDSA-N	00100010000000110100010000000000000000000000000000000000	22-01-160675
CNC(C(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(C(=O)C(=C)N)CC1CC1)C2(C)C	PC-id_143104829	418.573	AMOPVBRGUUZDQM-XAVVCJAESA-N	00100010000000000000010000000000000000000000000000000000	22-01-160676
CC1=CC=C(C2C1C2)N=C1S/C(=Cc2ccc(s2)c2ccc(cc2)C)/C(=O)N1C	PC-id_144270586	418.574	JSKZANKEXMNTQZ-PHCYPTEHSA-N	00100010100111110001110000000000000000000000000000000000	22-01-160677
CC(Oc1ccc(c(c1)C(/C(=C/CN1CCC2(C(C1)(O)C2)N(C)C)/N(N)C)N)N)C	PC-id_144697247	418.576	FOSGJVXOKLQWAV-UWVJOHFNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-160678
[Si](O[C@]12[C@@](C1CCCC2)(Cc1c(cc(OC)c(OC)c1)C=C)C(=O)OC)(C)(C)C	PC-id_16091278	418.599	KLAYWZSHQKQBCI-LQKDOSGMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-160679
[Si](OC12C(C1CCCC2)(Cc1c(cc(OC)c(OC)c1)C=C)C(=O)OC)(C)(C)C	PC-id_73240622	418.599	KLAYWZSHQKQBCI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-160680
[Si](OCC1OC(=O)C2C(C2CC1OC(=O)c1ccccc1)(C)C)(C(C)(C)C)(C)C	PC-id_75631144	418.599	HZHWXOCOZNKLOZ-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-160681
[Si](OC[C@H]1OC(=O)[C@H]2C([C@H]2C[C@H]1OC(=O)c1ccccc1)(C)C)(C(C)(C)C)(C)C	PC-id_51355942	418.599	HZHWXOCOZNKLOZ-MANSERQUSA-N	00100000000000110100010000000000000000000000000000000000	22-01-160682
[Si](OC[C@@H]1OC(=O)[C@@H]2C([C@@H]2C[C@H]1OC(=O)c1ccccc1)(C)C)(C(C)(C)C)(C)C	PC-id_51356340	418.599	HZHWXOCOZNKLOZ-AKHDSKFASA-N	00100000000000110100010000000000000000000000000000000000	22-01-160683
[Si](OC[C@H]1OC(=O)[C@@H]2C([C@@H]2C[C@H]1OC(=O)c1ccccc1)(C)C)(C(C)(C)C)(C)C	PC-id_51356342	418.599	HZHWXOCOZNKLOZ-NCXUSEDFSA-N	00100000000000110100010000000000000000000000000000000000	22-01-160684
CCCC(OC(=O)C12CC(CCC1C2(C)C)C)OC(=O)C12CC(CCC1C2(C)C)C	PC-id_91145065	418.609	DITZMNVQFBTFMZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160685
O(C(=O)C12C(C1CCC(C2)C)(C)C)CCCCOC(=O)C12C(C1CCC(C2)C)(C)C	PC-id_54141393	418.609	OBIZDLPULXIXSR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160686
CCCC(C1=CC2C(C=C1)(C2)C(c1ccccc1)(c1ccccc1)c1ccccc1)CC	PC-id_142105170	418.612	BTEDGUGDJWYJRK-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-160687
CCCC(c1ccc(cc1)C(C12C=CC=CC1C2)(c1ccccc1)c1ccccc1)CC	PC-id_142105162	418.612	OLBDVEHFIFHUEQ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-160688
Cc1ccccc1c1ccc(cc1)CN1C[C@@H]2[C@H](C1)C2COCCCN1CCCCC1	SCHEMBL5806611,PC-id_11654643	418.614	DKPVDSNEOPHXHV-FITHBNAOSA-N	00100010000010110000110000000000000000000000000000000000	22-01-160689
Cc1ccccc1c1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@H]2COCCCN1CCCCC1	SCHEMBL5806607	418.614	DKPVDSNEOPHXHV-KUMHGWDASA-N	00100010000010110000110000000000000000000000000000000000	22-01-160690
Cc1ccccc1c1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@@H]2COCCCN1CCCCC1	SCHEMBL5806609	418.614	DKPVDSNEOPHXHV-OUOZDZGXSA-N	00100010000010110000110000000000000000000000000000000000	22-01-160691
O(CC1C2C1CN(C2)Cc1ccc(cc1)c1cc(ccc1)C)CCCN1CCCCC1	PC-id_73031432	418.614	BDVMOBIKBWKDGD-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-160692
O(CC1C2C1CN(C2)Cc1ccc(cc1)c1c(cccc1)C)CCCN1CCCCC1	PC-id_73043514	418.614	DKPVDSNEOPHXHV-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-160693
O(CC1[C@@H]2[C@H]1CN(C2)Cc1ccc(cc1)c1cc(ccc1)C)CCCN1CCCCC1	PC-id_11618598	418.614	BDVMOBIKBWKDGD-FITHBNAOSA-N	00100010000010110000110000000000000000000000000000000000	22-01-160694
CN(C(COc1ccc(cc1)NC(=S)/N=C(/SCC12CCCC=C1C2)N)C)C	PC-id_142830648	418.619	MNRIARLBMSOHIT-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-160695
[Si](OC1CC2(OC2(C(C1)(C)C)C=CC(=CC#C)C(=O)OCC)C)(C(C)(C)C)(C)C	PC-id_72830649	418.642	WDYAUOULFGLDLA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160696
[Si](OC(=C)C(=CCCC1(C(CC2OC2(C1=O)C)C(=C)C=O)C)C)(C(C)(C)C)(C)C	PC-id_76955082	418.642	SBRVMJVMTOOWND-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160697
[Si](OC(=C)/C(=C/CC[C@@]1([C@H](C[C@@H]2O[C@@]2(C1=O)C)C(=C)C=O)C)/C)(C(C)(C)C)(C)C	PC-id_62706279	418.642	SBRVMJVMTOOWND-IWSGIDGRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160698
[Si](O[C@@H]1C[C@]2(O[C@]2(C(C1)(C)C)/C=C/C(=C/C#C)/C(=O)OCC)C)(C(C)(C)C)(C)C	PC-id_11395997	418.642	WDYAUOULFGLDLA-GBOGUTNMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160699
CC(C1CCC2(C(C1)O2)C)(CCC1OC1(C)C)CCC1OC1(C)CCC1CC1(C)C	PC-id_143374573	418.652	FCNGHVOOQJMCEB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160700
CCO[Si](CCCOC(=O)C1CC2C(O2)C(C1)[Si](C)(C)C)(OCC)OCC	PC-id_89593379,SCHEMBL14982842	418.672	QPELZLBVBVCSJE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160701
CCO[Si](CCCOC(=O)C1CC2C(O2)CC1[Si](C)(C)C)(OCC)OCC	SCHEMBL14982843,PC-id_89593380	418.672	QESKZMOGQILPJP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160702
CCO[Si](CCCOC(=O)C1CCC2C(C1[Si](C)(C)C)O2)(OCC)OCC	SCHEMBL14982841,PC-id_89593378	418.672	XAKPRBDHFSVENL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160703
[Si](OC1C2OC2(CC(O[Si](C(C)(C)C)(C)C)C1O)C(=O)O)(C(C)(C)C)(C)C	PC-id_85446662	418.672	MGLVUFSQBQMPDI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160704
[Si](O[C@@H]1[C@@H]2O[C@@]2(C[C@@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)C(=O)O)(C(C)(C)C)(C)C	PC-id_15720346	418.672	MGLVUFSQBQMPDI-QWHKOUAISA-N	00100000000010000000010000000000000000000000000000000000	22-01-160705
CC1C(CC2C(C)(C)C(C)(C)C3(C(C2(C)C)(C)O3)C)C(C)(C)C(C2(C1(C)O2)C)(C)C	SCHEMBL15681416,PC-id_90128234	418.695	FVNRHXQNMQGTBI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160706
CCCCCCCCCCCC(C1CC(C)C2C(C1)(C)O2)C1CC(C)C2C(C1)(C)O2	SCHEMBL14183466,PC-id_59720743	418.695	OPNIYJBBFJWXCA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160707
CCCCCCCCCCCCCCC(C1CCC2C(C1)O2)(C1CCC2C(C1)O2)C	PC-id_140200874	418.695	ZVWGLDGTLUKIKT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160708
O(CC1C2C1CN(C2)Cc1ccccc1)C(=O)C(O)(C1CCCC1)c1cc(ccc1)C	PC-id_11281557	419.556	WPERVCINFVNWFI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160806
[Si](O[Si](O[Si](C)(C)C=C)(OC)C=C)(OC)(OC)CCC1CC2OC2CC1	PC-id_21339201	418.705	XMIQUPNZTDYBOV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160709
C/C/1=C/CC/C(=CCC[C@]2([C@H]([C@@H]([C@@H](CC1)C(=C)C)O[Si](C(C)(C)C)(C)C)O2)C)/C	PC-id_101605866	418.728	FUNDGTHDAOIUKT-ZFFOXZAPSA-N	00100000000000000110010000000000000000000000000000000000	22-01-160710
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O(CC12C(C1)CN(C2)Cc1ccccc1)C(=O)C(O)(C1CCCCC1)c1ccccc1	PC-id_72767791	419.556	DOALNOPIHOEWEN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160804
O(C[C@]12[C@H](C1)CN(C2)Cc1ccccc1)C(=O)C(O)(C1CCCCC1)c1ccccc1	PC-id_11247130	419.556	DOALNOPIHOEWEN-MFHGLKJTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160805
O(CC1C2C1CN(C2)Cc1ccccc1)C(=O)C(O)(C1CCCCC1)c1ccccc1	PC-id_10342035	419.556	RMASNTUCXWARQX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-160807
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O(CC1C2C1CN(C2)CCc1ccccc1)C(=O)C(O)(C1CCCC1)c1ccccc1	PC-id_73309178	419.556	QZBGWHHIKYKVCJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160809
O(CC1C2C1CN(C2)C(C)c1ccccc1)C(=O)C(O)(C1CCCC1)c1ccccc1	PC-id_9985425	419.556	JJSLHPDWBCTNAW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160810
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O(CC1[C@H]2[C@@H]1CN(C2)CCc1ccccc1)C(=O)C(O)(C1CCCC1)c1ccccc1	PC-id_16718086	419.556	QZBGWHHIKYKVCJ-XRNSRTRQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160814
O(CC1[C@H]2[C@@H]1CN(C2)C(C)c1ccccc1)C(=O)C(O)(C1CCCC1)c1ccccc1	PC-id_16718100	419.556	JJSLHPDWBCTNAW-UWOANLGQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160815
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CC(N1CC2C(C1)(C2)NNC(=O)C(c1ccccc1)(C1CCCC1)O)c1ccccc1	SCHEMBL4880075,PC-id_69227032	419.559	BECOIGSJUAJPNZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160822
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O[C@@](C1CCCC1)(C(=O)NCNC1C2C1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_11592227	419.559	WRWZPBDDFCJZGF-WCINTBDISA-N	00100010000000110000010000000000000000000000000000000000	22-01-160826
OC(C1CCCC1)(C(=O)NCNC1C2C1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_11599448	419.559	WRWZPBDDFCJZGF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160827
OC(C1CCCC1)(C(=O)NCNC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_16718045	419.559	WRWZPBDDFCJZGF-ZXESVQPNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160828
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O[C@@](C1CCCC1)(C(=O)NCNC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_16718225	419.559	WRWZPBDDFCJZGF-SJIZWNSKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160830
OC(C(=O)NCC1C2C1CN(C2)Cc1cccnc1)(C1CCCCC1)c1ccccc1	PC-id_10387370	419.559	DGOLPPNTALIHNS-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-160831
OC(C(=O)NCC1C2C1CN(C2)Cc1ccncc1)(C1CCCCC1)c1ccccc1	PC-id_10002176	419.559	JDYYHSOOCWSFBM-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-160832
OC(C(=O)NCC1C2C1CN(C2)Cc1ncccc1)(C1CCCCC1)c1ccccc1	PC-id_10477183	419.559	QHVXBUBUDZUAKQ-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-160833
OC(C(=O)NNC1C2C1CN(C2)C(C)c1ccccc1)(C1CCCC1)c1ccccc1	PC-id_11584976	419.559	UASQNARCOHPTQD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160834
O=C(N(C1C2C1CN(C2)Cc1ccccc1)CN)[C@@](O)(C1CCCC1)c1ccccc1	PC-id_11683181	419.559	KAOORUPOKAAJEJ-WCINTBDISA-N	00100010000000110000010000000000000000000000000000000000	22-01-160835
O=C(N(C1C2C1CN(C2)Cc1ccccc1)CN)C(O)(C1CCCC1)c1ccccc1	PC-id_73060764	419.559	KAOORUPOKAAJEJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-160836
Cc1c(sc(n1)NC(=O)N1CCC2C1(C2)C(=O)N)C(=CSC(=C)C1CCC1)N	PC-id_89170014	419.564	OJTTXTJFYJEHGM-UHFFFAOYSA-N	00101010100000000001010000000000000000000000000000000000	22-01-160837
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CCC(c1scc(n1)c1sc(nc1C)NC(=O)N1CC[C@H]2[C@@]1(C2)C(=O)N)CC	PC-id_44129428,SCHEMBL13030381	419.564	KCXKFTCUHWNPDW-BLVKFPJESA-N	00100010100000000001110000000000000000000000000000000000	22-01-160839
s1c(NC(=O)N2C3(C(C3)CC2)C(=O)N)nc(c1c1nc(sc1)C(CC)CC)C	PC-id_74928813	419.564	KCXKFTCUHWNPDW-UHFFFAOYSA-N	00100010100000000001110000000000000000000000000000000000	22-01-160840
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[Si](O[Si](C)(C)C)(O[Si](OC[Si](C)C)(C)C)(CCC1CC2OC2CC1)C	PC-id_58479025	419.831	IGFBPFWWBWVRCI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-160859
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S(=O)(=O)(N1C2C1CCCC2OS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C	PC-id_72782263	421.53	AHFOCFBBAPOYFS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161190
S(=O)(=O)(N1[C@@H]2[C@H]1CCCC2OS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C	PC-id_11281616	421.53	AHFOCFBBAPOYFS-NFYVFUGESA-N	00100000000010110000010000000000000000000000000000000000	22-01-161191
S(=O)(=O)(N1[C@@H]2[C@H]1CCC[C@@H]2OS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C	PC-id_46915972	421.53	AHFOCFBBAPOYFS-JQKXYWIWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161192
CN(C)S(=O)(=O)N1CC2C(C1)C2CNC(=O)C(C1CCCC1)(c1ccccc1)O	PC-id_90885304	421.554	ZOYWBGWYXOQLIF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161193
CN(S(=O)(=O)N1C[C@@H]2[C@H](C1)[C@H]2CNC(=O)C(c1ccccc1)(C1CCCC1)O)C	SCHEMBL4485202	421.554	ZOYWBGWYXOQLIF-QHUCILSMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161194
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[Si](OC1C2OC2C(=O)C(=C1)NC(=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85088755	421.561	POIOYQXPEYVPNS-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-161196
[Si](O[C@H]1[C@@H]2O[C@@H]2C(=O)C(=C1)NC(=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10002292	421.561	POIOYQXPEYVPNS-AKIFATBCSA-N	00100000000011110000010000000000000000000000000000000000	22-01-161197
[Si](O[C@@H]1[C@@H]2O[C@@H]2C(=O)C(=C1)NC(=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10251633	421.561	POIOYQXPEYVPNS-ACIOBRDBSA-N	00100000000011110000010000000000000000000000000000000000	22-01-161198
O=C([C@]12O[C@@H](C[C@H]1C2)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)N=[N+]=[N-]	PC-id_138973461	421.564	YMKMBCVZUNQFJD-IUKKYPGJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161199
O=C(C1N(CC2C1C2(C)C)C(=O)C(C(C)(C)C)C)CC(CC1CC1)C(O)C(=O)OC	PC-id_76749039	421.57	BBINOGZKFSVZFS-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-161200
O=CCCOC(CCOC(CCNC(=O)OCC1C2C1CCC#CCC2)(C)C)(C)C	SCHEMBL19057828	421.57	MCQUFNVIZRGQTD-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-161201
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CCC1(CCCCC1)NC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C	PC-id_71057830,SCHEMBL14049403	421.573	DDYFKNVIIWYGFN-LUKYLMHMSA-N	00100010000010000000010000000000000000000000000000000000	22-01-161203
OC(=O)C1N(CC2C1C2(C)C)C(=O)C(NC(=O)NC1(CCCCC1)CC)C(C)(C)C	PC-id_77998142	421.573	DDYFKNVIIWYGFN-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-161204
N#CC1CC2C(N1C(=O)C(=NCc1ccccc1)C1(C)CCCC(C[C@](C1)(C)O)C)C2	PC-id_121286928	421.575	KZSSMXNZNQRGKF-ALLNTGEWSA-N	00100010000000110100010000000000000000000000000000000000	22-01-161205
N#CC1CC2C(N1C(=O)/C(=NCc1ccccc1)/C1(C)CCCC(C[C@](C1)(C)O)C)C2	SCHEMBL17691512	421.575	KZSSMXNZNQRGKF-XWPOAAFHSA-N	00100010000000110100010000000000000000000000000000000000	22-01-161206
Cc1c(sc(n1)NC(=O)N1CCC2C1(C2)C(=O)N)C(=CSC(=C)C(C)(C)C)N	PC-id_89170060	421.58	YOGBZKOEGMEJIZ-UHFFFAOYSA-N	00100010100000000001010000000000000000000000000000000000	22-01-161207
O=C(N1CC[C@H]2[C@@]1(C2)C(=O)N)Nc1nc(c(s1)/C(=C/SC(=C)C(C)(C)C)/N)C	SCHEMBL13781958	421.58	YOGBZKOEGMEJIZ-WGPXRFPHSA-N	00100010100000000001010000000000000000000000000000000000	22-01-161208
S(=O)(=O)(N1C(C2(C(C2)C1)C(=C)CC=C)Cc1ccccc1)c1c(cc(cc1C)C)C	PC-id_74028516	421.595	HNTKSBYKYGPFGK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161209
S(=O)(=O)(N1[C@H]([C@@]2([C@@H](C2)C1)C(=C)CC=C)Cc1ccccc1)c1c(cc(cc1C)C)C	PC-id_23247830	421.595	HNTKSBYKYGPFGK-KYPHJKQUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161210
CCCS(=O)(=O)N1CCN(CC1)CCOCC1C2C1CN(C2)Cc1ccccc1	SCHEMBL5908096,PC-id_69603124	421.597	BPRSVXMFTAHFNK-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-161211
CC(S(=O)(=O)N1CCN(CC1)CCOCC1C2C1CN(C2)Cc1ccccc1)C	SCHEMBL5793144,PC-id_69567727	421.597	MVVXATNSEHFALZ-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-161212
S(SCc1ccccc1)C1CC2OC2CC1NS(=O)(=O)c1ccc(cc1)C	PC-id_75031596	421.597	JPDZPNBMJWBBKL-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161213
S(SCc1ccccc1)[C@@H]1C[C@@H]2O[C@@H]2C[C@H]1NS(=O)(=O)c1ccc(cc1)C	PC-id_44475032	421.597	JPDZPNBMJWBBKL-YSTOQKLRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161214
CCC1=C(CC(C2C1N2)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O	PC-id_87208123	421.604	UWWILJUEMHQQRX-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-161215
CCC1=C(C[C@H]([C@H]2[C@H]1N2)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C(=O)O	SCHEMBL1170616	421.604	UWWILJUEMHQQRX-VJBWXMMDSA-N	00100000000011110000010000000000000000000000000000000000	22-01-161216
CCOC(=O)C1=CC2C(N2)C(C1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	PC-id_90916554	421.604	XXFADVSUVSDTPV-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-161217
CCOC(=O)C1=C[C@H]2[C@@H]([C@H](C1)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)N2	PC-id_146032264	421.604	XXFADVSUVSDTPV-VABKMULXSA-N	00100000000011110000010000000000000000000000000000000000	22-01-161218
CCOC(=O)C1=C[C@H]2[C@@H]([C@@H](C1)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)N2	SCHEMBL14283125,PC-id_24889145	421.604	XXFADVSUVSDTPV-ZRBLBEILSA-N	00100000000011110000010000000000000000000000000000000000	22-01-161219
OCCN(c1ccc(cc1)NCC1C2C1CN(C2)Cc1ccc(cc1)C(C)(C)C)CC	SCHEMBL4413492,PC-id_69033895	421.618	VVRCMCWQZIFGAB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161220
CC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CCO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_68040218,SCHEMBL10121548	421.647	RUPUQAZNHPYGOA-XPWALMASSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161221
[Si](OCCC1N(CC2C(C2)C1)C(=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_77398666	421.647	RUPUQAZNHPYGOA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161222
CCCCCCCCCCCCN1[C@@H]2[C@H]1C(=O)O[C@H]2O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	PC-id_102145492	421.656	REFTZQBWFHNDMG-GWYGNKQPSA-N	00100010000010000000010000000000000000000000000000000000	22-01-161223
ClC(Cl)(Cl)C(=N)OC1OC(C2N(C12)C(=O)C)COC(=O)c1ccccc1	PC-id_78152155	421.66	GBSAJLPIACSRQA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161224
ClC(Cl)(Cl)C(=N)OC1O[C@@H]([C@H]2N([C@@H]12)C(=O)C)COC(=O)c1ccccc1	PC-id_71696807	421.66	GBSAJLPIACSRQA-VVEVZTODSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161225
Nc1nc(Cl)c(c(n1)N[C@@]1(O)CC[C@H]2[C@]1(O)C2O)N=Nc1cccc(c1)[N+](=O)[O-]	PC-id_143946928	421.795	QYGVNVFRORSTDG-LLUYULBFSA-N	00100010000010110001010000000000000000000000000000000000	22-01-161226
Clc1ccnc(c1)OC[C@@H]1C[C@@H]2C[C@@H]2CN1C(=O)c1ncccc1c1ncccn1	PC-id_49803102,SCHEMBL608592	421.88	NSDLDRZNECTTOS-UXLLHSPISA-N	00100000000010101001110000000000000000000000000000000000	22-01-161227
Clc1ccnc(c1)OC[C@@H]1C[C@@H]2C[C@H]2CN1C(=O)c1ncccc1c1ncccn1	PC-id_66741751,SCHEMBL607101	421.88	NSDLDRZNECTTOS-ZOBUZTSGSA-N	00100000000010101001110000000000000000000000000000000000	22-01-161228
Clc1cc(OCC2N(CC3C(C3)C2)C(=O)c2ncccc2c2ncccn2)ncc1	PC-id_75282604	421.88	NSDLDRZNECTTOS-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-161229
O=C(N1C2C1C2)Nc1ccc(cc1Cl)N(c1ncnc(c1)Nc1ccccc1N)C	PC-id_118034170,SCHEMBL16665276	421.883	OQUXSWPXFFUXJM-UHFFFAOYSA-N	00100000000000110001010000000000000000000000000000000000	22-01-161230
C=CNCCCCc1ccc(cc1)c1cnc(c(c1)CC1c2c1c(Cl)c(cc2)F)N	PC-id_142938019	421.938	OQXAHQZKSJCYFX-UHFFFAOYSA-N	00100000000000111000110000000000000000000000000000000000	22-01-161231
Cl[C@H]1C[C@@H](OCc2ccccc2)C[C@@H]([C@H]2[C@@H]1O2)NS(=O)(=O)c1ccc(cc1)C	PC-id_101604646	421.938	YGVCQFUNYDYOKA-RQSWOZRGSA-N	00100000000000110100010000000000000000000000000000000000	22-01-161232
Cl[C@@H]1C[C@H](OCc2ccccc2)C[C@H]([C@@H]2[C@H]1O2)NS(=O)(=O)c1ccc(cc1)C	PC-id_101604647	421.938	YGVCQFUNYDYOKA-KTIPNOMGSA-N	00100000000000110100010000000000000000000000000000000000	22-01-161233
ClC([C@H]([C@@H](OC(C)(C)C)Cc1ccccc1)O)NC12C(=O)C(C)CCC1C2(C)C	PC-id_145829902	422.001	WGCBTMWVSNAZHA-LPXJRQAKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161234
CC1(CCCC(C1OCOC(=O)C(C)(C23C(N2)N3)I)(C)C)C	PC-id_154559176	422.107	HNZWQRPVQJPTPO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161235
C[C@@H](C1CCC2C([C@]1(C(C)[C@@]1([C@](O1)(C)C(C)C)C)O)(O2)C)I	PC-id_163832279	422.132	OEQYDWCDKVOWHV-MMBZHTHESA-N	00100000000010000000010000000000000000000000000000000000	22-01-161236
C1CC2C(C2COC(=O)NCCOCCOC(=O)ON3C(=O)CCC3=O)CCC#C1	PC-id_164577516,EMOLS-id_323986734	422.169	PREFPNRTWCTNHH-UHFFFAOYSA-N	00100010000000000110010000000000000000000000000000000000	22-01-161237
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOC(=O)ON3C(=O)CCC3=O)CCC#C1	PC-id_154803625	422.169	PREFPNRTWCTNHH-XYPWUTKMSA-N	00100010000000000110010000000000000000000000000000000000	22-01-161238
C1C2C(C2C[N-]CC3=CC(=CC=C3)OC(F)(F)F)CN1CC(=O)NCC4=CC=CO4	PC-id_160666428	422.17	RMJAJNZMGZXQLT-UHFFFAOYSA-N	00100010101000110000010000000000000000000000000000000000	22-01-161239
CN1C=CC(=N1)NC(=O)CN2CC3C(C2)C3C[N-]CC4=CC(=CC=C4)OC(F)(F)F	PC-id_160732681	422.181	RUNYXAPLFZQGTG-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-161240
C1CN(CCN1c1ccccc1)C(=O)CC(c1c(cc(cc1)O)O)OC(=O)C1C2C1C2	PC-id_163868266	422.184	PIOHLEQHMPUSOW-UHFFFAOYSA-N	00101000000010110001110000000000000000000000000000000000	22-01-161241
CC(=O)C(=N)c1ccc(cc1)c1cccc(c1)CN[C@@H]1C(=O)OC2([C@]1(C2)C(CO)O)C	PC-id_164099028	422.184	XMWWKIKIOACTJC-MMEDMOAOSA-N	00100010000000110000110000000000000000000000000000000000	22-01-161242
CC(C)(C)C1=CC=C(C=C1)[Si](C2=CC=CC=C2)OC(NC(=O)C3C4C3CCC4)OC	PC-id_153522517	422.215	WCEVEYNSUFIDIB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161243
CCC(C(=O)OC12CC(F)(F)C(OC1(C2(F)F)C(F)(F)F)(O)C(F)(F)F)C	SCHEMBL16327056,PC-id_117766321	422.216	CGFPBNMISBMEAH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161244
Cc1c(nc(cc1)Br)NC(=O)C1CC2(CC2N1C(=O)O)Cc1nnco1	SCHEMBL20488901,PC-id_135319015	422.233	VTLCTBARTZLIJI-UHFFFAOYSA-N	00100010100000101001010000000000000000000000000000000000	22-01-161245
C/C=CC=C(/C=C)[C@H]1CC1C(=O)NCCC2[C@H]3[C@@H]2CN(C3)C(=O)OC4(CC=CC=C4)C	PC-id_153560055	422.257	YIDUBXSEJJLXOU-XPVUWSFASA-N	00100010000011000000010000000000000000000000000000000000	22-01-161246
CC(C)(C)OC(=O)C[C@@H](CCO[Si](C)(C)C(C)(C)C)C(=O)N1[C@@H](C[C@@H]2C1C2)C#N	PC-id_161643344	422.26	WYSZMKLICSTOEQ-KKSQLVLISA-N	00100010000000000000010000000000000000000000000000000000	22-01-161247
CC1CC2C(O2)CC1CCOC(=O)CCCCC(=O)OCCC3CC4C(O4)CC3C	PC-id_148243589	422.267	CXQFEDDUKCHZKZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161248
CC1CC2C(O2)CC1COC(=O)CCCCCCC(=O)OCC3CC4C(O4)CC3C	PC-id_154157660	422.267	CBMMTCYXRJWOSY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161249
CC1CC2C(O2)CC1OC(=O)CCCCCCCCC(=O)OC3CC4C(O4)CC3C	PC-id_161999132	422.267	YRYXDESERJDHIX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161250
CC(C)(C)C1CCC(C2C1O2)C(=O)OCCOC(=O)C3CCC(C4C3O4)C(C)(C)C	PC-id_154270925	422.267	GTDDYPYMKWTGAA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161251
CCCC(C(CC)COC(=O)C1CCC2C(C1C)O2)OC(=O)C3CCC4C(C3C)O4	PC-id_153845321	422.267	ZWYTYKYPGRUNDZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161252
B1([C@H](CCO1)NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)O	PC-id_164126575	422.27	YKBDOFGCJJGMQG-YYFQZIEXSA-N	00100010000000000001010000000000000000000000000000000000	22-01-161253
C=CCOC[C@@]12C[C@H](N([C@@H]1C2)C(=O)O)C(=O)Nc1c(ccc(n1)Br)C=C	SCHEMBL20487804,PC-id_135317992	422.273	LHVKLERLTAXLKF-JCGVRSQUSA-N	00100010000000101000010000000000000000000000000000000000	22-01-161254
C=CCOCc1ccc(nc1NC(=O)[C@@H]1C[C@@]2([C@H](N1C(=O)O)C2)C=C)Br	SCHEMBL20487932,PC-id_135318110	422.273	MXPQGWBOLFYXOT-JCGVRSQUSA-N	00100010000000101000010000000000000000000000000000000000	22-01-161255
CCOC(=O)[C@]1(N)[C@H](SCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	PC-id_69306797,SCHEMBL5089416	422.299	SLNBMZKLAFQRGG-IBGQVPEUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161256
Clc1cc(CSC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)OCC)ccc1Cl	PC-id_77636160	422.299	SLNBMZKLAFQRGG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161257
CC12CCC(CC1O2)C(C)(C)OCC3(COC3)COC(C)(C)C4CCC5(C(C4)O5)C	PC-id_153024201	422.303	VCNLGCTZNIMMJG-UHFFFAOYSA-N	00101000000010000000010000000000000000000000000000000000	22-01-161258
CC(C)CCOC(C)(C)CCC(=O)NCCNC(=O)OCC1[C@H]2[C@@H]1CCC=CCC2	PC-id_164015638	422.314	UUZONLYSGBKAQQ-WCRBZPEASA-N	00100000000000000110010000000000000000000000000000000000	22-01-161259
C=CCOCc1ccc(nc1NC(=O)[C@H]1N[C@@H]2[C@](C1)(C2)COCC=C)Br	SCHEMBL20488061,PC-id_135318229	422.316	LEGBDXYERAEHAA-YZVOILCLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-161260
O=C([C@@H]1CC2C(N1C(=O)OC(C)(C)C)C2)Nc1nc(Br)ccc1C1CC1	SCHEMBL18591407	422.316	ISMIOSSHZFNYTP-UBHUBRDASA-N	00100010000000101000110000000000000000000000000000000000	22-01-161261
O=C([C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C)Nc1nc(Br)ccc1C1CC1	SCHEMBL18561489	422.316	JOUWOMUEGRNKTM-KYOSRNDESA-N	00100010000000101000110000000000000000000000000000000000	22-01-161262
O=COC(C1(F)C(F)(F)C(F)(F)C2(C(C1(F)F)(C)O2)C)(CCC1OC1(C)C)C	PC-id_143374717	422.335	CNWIOTKONZLDBE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161263
CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC2CCC3C(C2C)O3	PC-id_154224861	422.34	OZLBFBYCWKPARX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161264
CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC2(CCC3C(C2)O3)C	PC-id_154092576	422.34	AACLZRYNQISDCY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161265
ICCCOC(C1CCC2(C(C1)O2)C)(CCC1OC1(C)C)C	PC-id_143374708	422.341	ANEXMBXUYDFUAR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161266
FC(F)(F)Oc1ccc(OC(=O)c2ccc(OC(=O)C3CC4OC4CC3)cc2)cc1	SCHEMBL12730866,PC-id_58220304	422.351	HDMPKHWNUANDBW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161267
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CCOC(=O)C1C2C1C(C(C2)OCc1ccc(cc1)F)(C#N)NS(=O)C(C)(C)C	PC-id_137488513,SCHEMBL20730986	422.513	XMVSETJXCINQOS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161344
CCOC(=O)[C@H]1[C@H]2[C@@H]1C([C@@H](C2)OCc1ccc(cc1)F)(C#N)N[S@](=O)C(C)(C)C	PC-id_140960764	422.513	XMVSETJXCINQOS-AASSCQQUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161345
CCOC(=O)[C@H]1[C@H]2[C@@H]1C([C@@H](C2)OCc1ccc(cc1)F)(C#N)N[S@@](=O)C(C)(C)C	SCHEMBL19508459	422.513	XMVSETJXCINQOS-DEQLNMHCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161346
Fc1cc(OCC23CC2CCCC3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1	BindingDB-id_282000,PC-id_86703669,BindingDB_PC-id_86703669,SCHEMBL16448524	422.513	KDOYGXBJAYKYQW-UHFFFAOYSA-N	00101000000010110000110000000000000000000000000000000000	22-01-161347
Fc1cc(OC[C@@]23CCCC[C@@H]2C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1	PC-id_117860404,SCHEMBL16449050	422.513	KDOYGXBJAYKYQW-VFNWGFHPSA-N	00101000000010110000110000000000000000000000000000000000	22-01-161348
Fc1cc(OCC2CCC3CC3C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1	BindingDB_PC-id_86703700,PC-id_86703700,SCHEMBL15536951,BindingDB-id_282144	422.513	NTEXXPIUAGLOSD-UHFFFAOYSA-N	00101000000010110000110000000000000000000000000000000000	22-01-161349
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Fc1ccc(cc1)CCN1CC2C(C1)C2NC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4079156,PC-id_68903746	422.535	WFJQAVFBFOZBCI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161372
Fc1ccc(cc1)CCN1CC2[C@H](C1)[C@H]2NC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4079159	422.535	WFJQAVFBFOZBCI-RLHRAOMXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161373
Fc1ccc(CCN2CC3[C@@H](C3NC(=O)C(O)(C3CCCC3)c3ccccc3)C2)cc1	PC-id_68903747	422.535	WFJQAVFBFOZBCI-IKWMWOSCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161374
Fc1ccc(CCN2C[C@@H]3[C@@H](C3NC(=O)C(O)(C3CCCC3)c3ccccc3)C2)cc1	PC-id_10410009	422.535	WFJQAVFBFOZBCI-ZXESVQPNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161375
Fc1ccc(C(O)(C(=O)NC2C3C2CN(C3)Cc2ccccc2)C2CCCCC2)cc1	PC-id_10002363	422.535	WXHKGECCNBTROE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161376
FC1CC(C(O)(C(=O)NC2C3C2CN(C3)Cc2ccccc2)c2ccccc2)CCC1	PC-id_72782275	422.535	UTPVWKKCJNEOCD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161377
FC1CC(C(O)(C(=O)NC2[C@@H]3[C@H]2CN(C3)Cc2ccccc2)c2ccccc2)CCC1	PC-id_11281637	422.535	UTPVWKKCJNEOCD-RDRDQCRJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161378
Cc1c(nc(o1)c1ccccc1)COC1=CC2CC2(C(=C1)CN1CCSC1C=O)C	SCHEMBL14041183,PC-id_89230045	422.54	UBRDZFZULGEKPT-UHFFFAOYSA-N	00100010100011110001110000000000000000000000000000000000	22-01-161379
CCO[Si](C(OCC12OCCCOC1O2)(OCC1CO1)CC)(OCC)OCC	PC-id_141296991	422.543	RCLQWFPMYIVAJL-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-161380
CSc1ccc(cc1)c1ccc(cn1)OCC1C2C1CN(C2)C(=O)/N=C(/C1CC1)N	PC-id_144354810	422.543	RYMUWUQRHUPQJJ-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-161381
CC(CCCC1(NCC(C(Cc2cc(F)cc(c2)F)NC(=O)C)O)C2C1CCC2)C	SCHEMBL1521869,PC-id_16657761	422.552	JRXBAZNARZPJBB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161382
O=C([C@@H]1[C@H](CSc2ccc(cc2)F)C[C@@H]2[C@H]1[C@H]2C(=O)OC(C)(C)C)OC(C)(C)C	SCHEMBL19367465	422.553	JLVRTOAXWUKHAW-LDFOPSEGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161383
C[C@]12C[C@H](/C=C(/CC[C@H](C/C=C(/C[C@@H]([C@@H]1O2)OC(=O)C)C)C(C)(C)OC(=O)C)C)O	CMNPD28152	422.555	UNFRDAOFXQIOOV-AHCPJJOBSA-N	00100000000000000110010000000000000000000000000000000000	22-01-161384
CC1C2C(O2)CCC1(C)CC(CCCC(=O)O)(CC1(CCC2C(C1C)O2)C)C(=O)O	PC-id_88832329,SCHEMBL11782058	422.555	BWYQVQQQNNWXGI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161385
CC1CC2C(O2)CC1COC(=O)C(C)(C)CC(C)C(=O)C(C1CC2C(O2)CC1C)O	PC-id_89152764,SCHEMBL13711250	422.555	YEAIVSTUCMCLLI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161386
CCC1CC2OC2CC1COC(=O)CCCCC(=O)OCC1CC2OC2CC1CC	PC-id_139756156	422.555	BJZRGIYFRQECIY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161387
CC(C)(C1CCC2C(C1)O2)C(CCCC(=O)O)(C(=O)O)C(C)(C)C1CCC2C(C1)O2	PC-id_88832331,SCHEMBL11782062	422.555	NVILQPKBKWYIMH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161388
CCCC(C1(CC2OC2CC1C)C(=O)O)C(CC1(CC2OC2CC1C)C(=O)O)CC	PC-id_20534254,SCHEMBL11286870	422.555	UGCGRAVUHHEVGH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161389
CCCCCC(C(=O)OCC1CC2OC2CC1C)C(=O)OCC1CC2OC2CC1C	PC-id_139699893	422.555	OBVWLCSRWUIBBE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161390
CCCC(C(COC(=O)C1CC2OC2CC1C)CC)OC(=O)C1CC2OC2CC1C	PC-id_21296292,SCHEMBL8675132	422.555	YMEUXYHGRKHEGX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161391
CCCC(C(C(=O)OCC1CCC2C(C1)O2)CC)CC(=O)OCC1CCC2C(C1)O2	PC-id_139617560	422.555	GVXHMWSLZYIYLJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161392
CCC(C(=O)C1CCC2C(C1)O2)(OCCCCCC(=O)OCC1CCC2C(C1)O2)C	SCHEMBL18710467	422.555	HFZPGRGZEIDHCU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161393
O1C2C1CCC(C2)COC(=O)CCCCCCCCC(=O)OCC1CC2OC2CC1	PC-id_13796615,SCHEMBL13242145	422.555	YHBCULIFYATDAS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161394
O1C2(C1CCC(C2)C(OC(=O)CCC(=O)OC(C1CC2OC2(CC1)C)(C)C)(C)C)C	SCHEMBL13707403,PC-id_59751168	422.555	NVNYZUHPTPCBEZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161395
O1C2C1CCC(C2)C(=O)OCCCCCCCCCCOC(=O)C1CC2OC2CC1	PC-id_58671999,SCHEMBL13410641	422.555	MFCZDOIDYSLUEF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161396
O1C2C1CCC(CC(CC1CC3OC3CC1)(CCCCCCCC(=O)O)C(=O)O)C2	SCHEMBL4644390,PC-id_19021245	422.555	FKGVTQCNDGEYJL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161397
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NC(=O)[C@]1(Cc2ccccc2c2cccs2)CCCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)C1	ZINC22_247709470	422.583	HRNVRDMRGTXGQO-SJHHWCTQSA-N	00100000100110110000110000000000000000000000000000000000	22-01-161422
O=C(C1[C@@H]2[C@H]1CCCC2)N1CCC[C@](C1)(Cc1ccccc1c1cccs1)C(=O)N	PC-id_92572536	422.583	HRNVRDMRGTXGQO-DHEXQLSDSA-N	00100000100110110000110000000000000000000000000000000000	22-01-161423
O=C(C1[C@@H]2[C@H]1CCCC2)N1CCC[C@@](C1)(Cc1ccccc1c1cccs1)C(=O)N	PC-id_92572537	422.583	HRNVRDMRGTXGQO-AHJOLFANSA-N	00100000100110110000110000000000000000000000000000000000	22-01-161424
S1C2N(CCOC12)CCC#Cc1ccc(C(Oc2ccccc2)CCN(C)C)cc1	PC-id_24947944	422.583	OVYDCEFXSDEOIE-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-161425
S1C2N(CCOC12)CCC#Cc1ccc(OC(CCN(C)C)c2ccccc2)cc1	PC-id_24946318	422.583	FBTIZMXTHYWMEI-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-161426
Cc1ccc(cc1)Nc1nc(nc(c1)N(C)C)N1CCN(CC1)CC1=CC2C(S1)C2	PC-id_142159299	422.589	WSCPFBRGXZJWMP-UHFFFAOYSA-N	00100011000010110001110000000000000000000000000000000000	22-01-161427
[Si](OC1C2C(C2)(C(=O)C1)C(=O)OCC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72777543	422.589	UXGDEPOLTRKCNY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161428
[Si](O[C@H]1[C@@H]2[C@@](C2)(C(=O)C1)C(=O)OCC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11177689	422.589	UXGDEPOLTRKCNY-OTPAQWSUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161429
[Si](O[C@@H]1[C@@H]2[C@@](C2)(C(=O)C1)C(=O)OCC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11270166	422.589	UXGDEPOLTRKCNY-CZSZKKDXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161430
[Si](OC(=NCC=C)N(C1C2C(C2)(C(OC(=O)C)C1)COC(=O)C)CC=C)(C)(C)C	PC-id_74961787	422.591	VGQZHKRUWFISSQ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-161431
[Si](OC(=NCC=C)N([C@@H]1[C@@H]2[C@@](C2)([C@@H](OC(=O)C)C1)COC(=O)C)CC=C)(C)(C)C	PC-id_44239635	422.591	VGQZHKRUWFISSQ-JKBKZWBZSA-N	00100010000010000000010000000000000000000000000000000000	22-01-161432
C/C=C(/[C@H]1OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]([C@H](CCC[C@@]2([C@H](C1)C2)C)C)O)C	PC-id_58776153,SCHEMBL14007472	422.598	NANMFTAIOSOLNG-IBEGOCTFSA-N	00100000000000000100010000000000000000000000000000000000	22-01-161433
O1C2C1CCC(C2)COC(=O)CCCCCCCC1OC1CC1OC1CCCCC	PC-id_57159144	422.598	YZBHMZDLQBKTNC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161434
O1C(CC2C(C2)(CCCC(C(O)C(C(=O)C(C(O)CC1=O)(C)C)C)C)C)C(=CC)C	PC-id_76818224	422.598	NANMFTAIOSOLNG-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-161435
O1[C@@H](C[C@H]2[C@@](C2)(CCC[C@@H]([C@H](O)[C@H](C(=O)C([C@@H](O)CC1=O)(C)C)C)C)C)/C(=C/C)/C	PC-id_58542619	422.598	NANMFTAIOSOLNG-DBAZKQLYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-161436
O1C2(C1(CCCC2(C)C)C)/C=C/C(=C/C=C/C(=C/C=C1C(=O)CC(CC1=O)(C)C)/C)/C	PC-id_21772436	422.6	WUXUTSGXBFMBAZ-IKYHYROISA-N	00100000000010000000010000000000000000000000000000000000	22-01-161437
O1C2(C1(CCCC2(C)C)C)C=CC(=CC=CC(=CC=C1C(=O)CC(CC1=O)(C)C)C)C	PC-id_73835332	422.6	WUXUTSGXBFMBAZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161438
O1C2C1CCC(C2)COCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C	PC-id_58453564	422.6	KCRCNLXOBHAHDB-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-161439
CC1CC2(C(O2)CC1C(=O)NCC(C)(C)CNC(=O)C(C)C(C)CC1(C(O1)C)C)C	SCHEMBL14219861,PC-id_89277269	422.601	ZEKHVYMPGVCTCC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161440
COc1ccc(cc1C)CCCC1CN(C(=O)N1C)CC1=CC=C(C2C1C2)C(C)(C)C	PC-id_142249720	422.603	QFXTYVIARNULRK-UHFFFAOYSA-N	00100010000011110001010000000000000000000000000000000000	22-01-161441
CC(C)Cc1cc(CNC(=O)C2C3CN(CCC(C)(C)C)CC23)nn1c1ccccc1	SCHEMBL16240940,PC-id_86280670,CHEMBL4566705	422.606	DOKOGLOPIXTMOO-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-161442
CC(C)Cc1cc(C(=O)NCC2C3CN(CCC(C)(C)C)CC23)nn1c1ccccc1	PC-id_117700665,CHEMBL4524656,SCHEMBL16241381	422.606	BTOCVKXISIRIDV-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-161443
CC(C)Cc1cc(nn1c1ccccc1)C(=O)N(C)C1C2C1CN(C2)CCC(C)(C)C	PC-id_86292752	422.606	RDZHVCCLPJXDCE-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-161444
CC(C[C@@H]([C@H](c1nccs1)O)NC12C(=O)C(C)(CCC1C2(C)C)OC(C)(C)C)C	PC-id_140360691	422.624	KCXVBIBKHFBFSJ-QJIYEZNPSA-N	00100000100010000001010000000000000000000000000000000000	22-01-161445
[Si](OC1CC2(OC2(C(C1)(C)C)C=CC(=CC=O)C(=O)OCC)C)(C(C)(C)C)(C)C	PC-id_85425540	422.63	ZQEGCCWBFZDBAL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161446
[Si](O[C@@H]1C[C@]2(O[C@]2(C(C1)(C)C)/C=C/C(=C/C=O)/C(=O)OCC)C)(C(C)(C)C)(C)C	PC-id_11177690	422.63	ZQEGCCWBFZDBAL-NZMSCXKZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161447
CCC12CC1CC(C2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC	PC-id_91108750	422.632	PZQTWSXHTDPZIQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161448
[Si](OC1C(C2C(C2)(C1)C(=O)OC)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72983856	422.632	CVJFEFOGOREEAB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161449
[Si](OCC[C@]1(C2OC2C(=O)CC1)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11464368	422.632	DMISKDAXBHSDQP-RSMFLLDRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161450
[Si](OCCC1(C2OC2C(=O)CC1)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72971661	422.632	DMISKDAXBHSDQP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161451
[Si](OCC(=C)C1CC2OC2(CC1O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_74932195	422.632	SITCTMPMLHFKPP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161452
[Si](OCC(=C)[C@H]1C[C@H]2O[C@]2(C[C@H]1O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_44138883	422.632	SITCTMPMLHFKPP-GWZVJQKXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161453
[Si](O[C@H]1[C@@H]([C@@H]2[C@@](C2)(C1)C(=O)OC)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11495504	422.632	CVJFEFOGOREEAB-ICLZECGLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161454
[Si](O[C@@H]1[C@H]([C@H]2[C@](C2)(C1)C(=O)OC)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11560873	422.632	CVJFEFOGOREEAB-HZLPDVBGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161455
[Si](O[C@H]1[C@H]([C@@H]2[C@@](C2)(C1)C(=O)OC)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11596991	422.632	CVJFEFOGOREEAB-NZCWTCFWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161456
[Si](O[C@@H]1[C@H]([C@@H]2[C@@](C2)(C1)C(=O)OC)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11611551	422.632	CVJFEFOGOREEAB-DUOVIKOCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161457
[Si](O[C@@H]1[C@@H]([C@@H]2[C@@](C2)(C1)C(=O)OC)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11625976	422.632	CVJFEFOGOREEAB-KWNHSTDBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161458
[Si](O[C@H]1[C@@H]([C@H]2[C@](C2)(C1)C(=O)OC)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11633198	422.632	CVJFEFOGOREEAB-VUMQFKOGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161459
[Si](O[C@H]1[C@H]([C@H]2[C@](C2)(C1)C(=O)OC)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11711517	422.632	CVJFEFOGOREEAB-WOLJRWFJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161460
[Si](O[C@@H]1[C@@H]([C@H]2[C@](C2)(C1)C(=O)OC)CC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_9932039	422.632	CVJFEFOGOREEAB-KSZLKVKMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161461
CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC1CC2C(O2)CC1C	PC-id_90072056,SCHEMBL15608255	422.641	VBDLPHLSTPGTKW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161462
CCCCCCCCC1OC1CCCCCCC(C1CC2OC2CC1C)C(=O)OC	PC-id_141214381	422.641	RMNGDCVCAYSNCN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161463
CCCCCCCCC1OC1CCCCCCC(C(=O)O)CC1CC2OC2CC1C	SCHEMBL258784,PC-id_54478179	422.641	XNBXGARKWYSIMV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161464
CCCCCCCOC(=O)c1ccc(cc1)C=C(C=CC12CC2(C)CCCC1(C)C)C	PC-id_88717954,SCHEMBL11069169	422.643	WOKIHRRNTHHUES-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161465
CCCCCCCOC(=O)c1ccc(cc1)/C=C(/C=CC12CC2(C)CCCC1(C)C)C	SCHEMBL11069167	422.643	WOKIHRRNTHHUES-NEXHGZGKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161466
C[Si](C(C)(C)C)([C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]2[C@H]1C2)C	PC-id_122408662	422.675	FRLWFNGZFWKPQH-OYHZZYGJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161467
[Si](C1C2C(C2)CC(OCc2ccccc2)C1OCc1ccccc1)(C(C)(C)C)(C)C	PC-id_73078078	422.675	FRLWFNGZFWKPQH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161468
[Si]([C@H]1[C@H]2[C@H](C2)C[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)(C)C)(C)C	PC-id_11732599	422.675	FRLWFNGZFWKPQH-JMTTVTNBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161469
[Si](OC1C2(OC2(CCC1)C)CCCC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_73063119	422.675	FAJRMKGWMOCRRK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161470
[Si](O[C@H]1[C@]2(O[C@]2(CCC1)C)CCCC)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11690349	422.675	FAJRMKGWMOCRRK-FXVJXKIMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161471
CCCCCCCCCCC1(CCC2C(C1)O2)C(=O)OCCCCCCCCCC	PC-id_88494920,SCHEMBL9657519	422.684	KFDBOYZZRYMDJR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161472
CCCCCCCCCCCCCCCCCCC1(CCC2C(C1(C)C)O2)C(=O)O	SCHEMBL4454019,PC-id_87673169	422.684	HCKKBDSXUFUYCD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161473
CCCCCCCCCCCCCCCCCCC1(CCC2C(C1C)(C)O2)C(=O)O	SCHEMBL5146566,PC-id_87786680	422.684	BIOCGIVZXAWONA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161474
CCCCCCCCCCCCCCCCC(CC1(CCC2C(C1)O2)C(=O)O)(C)C	PC-id_57278173,SCHEMBL4454017	422.684	WUXPAJDWGPJGTI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161475
CCCCCCCCCCCCCCCC(C(CC1(CCC2C(C1)O2)C(=O)O)C)C	PC-id_87786679,SCHEMBL5146561	422.684	UIFYALBHVXDWBW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161476
CCCCCCCCCCCCCCCCCCOC(=O)C1CCC2C(C1(C)C)O2	SCHEMBL4454014,PC-id_18008302	422.684	KPTFPVCPNFBQMB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161477
CCCCCCCCCCCCCCCCCCOC(=O)C1CCC2C(C1C)(C)O2	SCHEMBL5146555	422.684	JKFGOCBJBIGSIZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161478
CC(CCCCCCCC(C(=O)OCC1CCC2C(C1)O2)CCCCCC(C)C)C	SCHEMBL16882733,PC-id_118214237	422.684	YBVBCKWEWQWVGY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161479
CCO[Si]1(OC2(C)N3C2CCCCCCCCC3)N2C1CCCCCCCCC2	PC-id_139885799	422.72	WQSZBMXTZPPUTL-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-161480
CO[Si]1(OC2N3C2CCCCCCCCCC3)N2C1CCCCCCCCCC2	PC-id_139885791	422.72	YYYQMMNUXYCXMS-UHFFFAOYSA-N	00100000000000000101010000000000000000000000000000000000	22-01-161481
CCC(CCC(C)CC1CCCC(C=C1)C(CC)C=CC)CC1=C(C(=CC2C1C2)C)C	PC-id_91520025	422.729	NORXTCIVWWMRKW-UHFFFAOYSA-N	00100000000011000110010000000000000000000000000000000000	22-01-161482
C[Si]1(C)CCC(O[Si]1(C)C)(CCC1CCC2C(C1)O2)CCC1CCC2C(C1)O2	SCHEMBL1261866,PC-id_87219624	422.749	HJVAMULPPHNRRM-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-161483
[Si](OC1C2OC2C(O[Si](C(C)(C)C)(C)C)C(=C=CC(=C)C)C1)(C(C)(C)C)(C)C	PC-id_85147600	422.749	AGVGTWNUYQDJGD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161484
[Si](O[C@H]1C2OC2[C@@H](O[Si](C(C)(C)C)(C)C)C(=C=CC(=C)C)C1)(C(C)(C)C)(C)C	PC-id_10454953	422.749	AGVGTWNUYQDJGD-OPGQVXQSSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161485
[Si](O[C@H]1[C@@H]2O[C@@H]2[C@@H](O[Si](C(C)(C)C)(C)C)C(=C=CC(=C)C)C1)(C(C)(C)C)(C)C	PC-id_10884352	422.749	AGVGTWNUYQDJGD-SIKGKWMMSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161486
ICCCN1CCC2C(C1)C2(Br)Br	EMOLS-id_262517123	422.927	QJFHVFLETVRDAK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161487
ICCCN1CC[C@H]2[C@@H](C1)C2(Br)Br	EMOLS-id_262517126	422.927	QJFHVFLETVRDAK-JGVFFNPUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161488
ICCN1CC[C@@]2([C@H](C1)C2(Br)Br)C	EMOLS-id_96792069	422.927	KMFFKAGMCBXEFG-JGVFFNPUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161489
Clc1ccc(S(=O)(=O)N2CCC([C@H](N)C(=O)N3[C@@H]4[C@@H](C4)C[C@H]3C#N)CC2)cc1	BindingDB_PC-id_71566833,PC-id_71566833	422.929	QBWOHOKBYOMPQP-KCMWZYNZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161490
Clc1ccc(S(=O)(=O)N2CCC(C(N)C(=O)N3C4C(C4)CC3C#N)CC2)cc1	PC-id_78114558	422.929	QBWOHOKBYOMPQP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161491
O=C(C1C2C1CN(C2)C(=O)OC(C)(C)C)NC(COc1ccc(cc1C)Cl)(C)C	SCHEMBL19724367	422.946	KXBWBJIFCXJJGS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161492
O=C(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(COc1ccc(cc1C)Cl)(C)C	PC-id_117709256	422.946	KXBWBJIFCXJJGS-BYICEURKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161493
O=C([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(COc1ccc(cc1C)Cl)(C)C	SCHEMBL16252804	422.946	KXBWBJIFCXJJGS-VQFNDLOPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161494
Clc1cc(NC(=O)N(C2CC3C(C3)CC2)CCCN2CCN(CC2)C)ccc1F	PC-id_78000981	422.967	APGQYYISUCVOFS-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-161495
Clc1cc(NC(=O)N([C@H]2CC3C(C3)CC2)CCCN2CCN(CC2)C)ccc1F	PC-id_71069868,SCHEMBL14102379	422.967	APGQYYISUCVOFS-FAFZWHIHSA-N	00100000000010110001010000000000000000000000000000000000	22-01-161496
CN1CCN(CC1)CCCCN(C1CCC2C1C2)C(=O)Nc1ccc(c(c1)Cl)F	PC-id_142251315	422.967	NBWHZYYOPCTNDN-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-161497
CN1CCN(CC1)CCCN(C1CC[C@]2(C1C2)C)C(=O)Nc1ccc(c(c1)Cl)F	PC-id_142251149	422.967	PUISZFVJWHQUKI-INXVGGANSA-N	00100010000010110001010000000000000000000000000000000000	22-01-161498
CN1CCN(CC1)CCCN(C1CCC2C1C2C)C(=O)Nc1ccc(c(c1)Cl)F	PC-id_142251493	422.967	GFNGTUBAGGGGNO-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-161499
BrC(C1C2C1CCC2)c1c(Br)cc(c(Br)c1)C	PC-id_81637158	422.981	BMRUNUGMNZTWKA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161500
BrC(C1C2C1CCCC2)c1c(Br)ccc(Br)c1	PC-id_81636331	422.981	GXRYZHHERCPJRC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-161501
BrC(C1CC2C(C2)C1)c1c(Br)cc(c(Br)c1)C	PC-id_81470850	422.981	HAJBFSCDOHCWJD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161502
ClC(C(=O)NC1C2C1CN(C2)Cc1ccccc1)(C1CCCCC1)c1ccccc1	SCHEMBL4085360,PC-id_68906260	422.99	LKNAVJNUBONHIE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161503
ClC(C(=O)NC1C2[C@@H]1CN(C2)Cc1ccccc1)(C1CCCCC1)c1ccccc1	PC-id_68906262	422.99	LKNAVJNUBONHIE-IKWMWOSCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161504
ClC(C(=O)NC1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)(C1CCCCC1)c1ccccc1	PC-id_10342221	422.99	LKNAVJNUBONHIE-ZXESVQPNSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161505
O=C(C(c1ccccc1)(C1CCCCC1)Cl)N[C@@H]1[C@@H]2C1CN(C2)Cc1ccccc1	SCHEMBL4085364	422.99	LKNAVJNUBONHIE-RLHRAOMXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161506
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s1c(nc(c1CCCCC)c1ccccc1)C(=O)NCC1C2C(C2)C([CH]CC1)(C)C	PC-id_59994671	423.634	YSHUHKHYRSSRJL-UHFFFAOYSA-N	00100000100000110101110000000000000000000000000000000000	22-01-161684
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CO[Si](CCCNC1C(CCC2C1O2)CC[Si](OC)(OC)OC)(OC)OC	PC-id_91148304	423.649	GTBBWPRCOVCAIE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-161686
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Brc1c(Br)c(Br)c2c(c1Br)S2	PC-id_88787266,SCHEMBL11494897	423.745	SOVWZABVHMJWGB-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-161688
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CC(C)(C)OC(=O)C(C)(C12NI1N2)I	PC-id_154561073	423.914	VNZLIJRNLVHWAS-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-161698
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Brc1cc(c2sc(nc2C(=O)N2[C@@H](C3[C@@H](C3)C2)C(=O)N)C)ccc1F	PC-id_68632827,SCHEMBL3412711	424.287	OKOFINZXOHIXFQ-GEPZPADCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-161742
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O1[C@H]2[C@@H]1C(=O)C(=C[C@]2(O)/C=C/C=C/C=C/C(=O)O)NC(=O)/C=C/C=C/C1CCCCC1	SCHEMBL61245,UNPD22055,PC-id_6444288	425.474	BUSGWUFLNHIBPT-XYBORKQMSA-N	00100000000011000000010000000000000000000000000000000000	22-01-161973
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OC(=O)/C=C/C=C/C=C/[C@]1(O)C=C(NC(=O)/C=C/C=C/C2CCCCC2)C(=O)[C@@H]2[C@H]1O2	PC-id_101040967	425.474	BUSGWUFLNHIBPT-XGVOPWLKSA-N	00100000000011000000010000000000000000000000000000000000	22-01-161975
C=Cc1noc(n1)C[C@@]12C[C@H](N([C@@H]1C2)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	PC-id_142420834	425.478	TUESCHZTLFJDNI-MFEFFIJZSA-N	00100010100000110001010000000000000000000000000000000000	22-01-161976
O=C(C(c1ccccc1)(C1CCCC1)O)NC1C2C1CN(C2)Cc1ccc(o1)[N+](=O)[O-]	PC-id_68901677,SCHEMBL4073573	425.478	FPPNXWSWESKVQU-UHFFFAOYSA-N	00100010101000110000010000000000000000000000000000000000	22-01-161977
O=C(C(c1ccccc1)(C1CCCC1)O)N[C@@H]1[C@@H]2C1CN(C2)Cc1ccc(o1)[N+](=O)[O-]	SCHEMBL4073574	425.478	FPPNXWSWESKVQU-GQRWVPFLSA-N	00100010101000110000010000000000000000000000000000000000	22-01-161978
OC(C(=O)NC1C2[C@@H]1CN(C2)Cc1oc([N+](=O)[O-])cc1)(C1CCCC1)c1ccccc1	PC-id_68901678	425.478	FPPNXWSWESKVQU-YIODILLTSA-N	00100010101000110000010000000000000000000000000000000000	22-01-161979
OC(C(=O)NC1[C@H]2[C@@H]1CN(C2)Cc1oc([N+](=O)[O-])cc1)(C1CCCC1)c1ccccc1	PC-id_10002526	425.478	FPPNXWSWESKVQU-UJKXBYJESA-N	00100010101000110000010000000000000000000000000000000000	22-01-161980
C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@H]([C@H](O)C)N)C2)O	PC-id_141490890	425.479	GUKMWFAWGXXOLF-SSJFMPOTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-161981
CCOc1ccc(cc1)CN1CC2C(C1)C2CNc1ccc(c(c1)F)N1CCOCC1	SCHEMBL6506969,PC-id_69805542	425.539	YTZSUQHBGGHGJZ-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-162001
C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)N)C2)O	PC-id_141490889	425.479	IVSMCXZXZPHZTL-SSJFMPOTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-161982
CCNc1nc(c(c(n1)NC1CC2C(C2(C1O)O)O)C#Cc1cnc(cc1)OCC)C	PC-id_91021205	425.481	NWLCMEVHBGWCSQ-UHFFFAOYSA-N	00100010000010101001010000000000000000000000000000000000	22-01-161983
C1CCC(CC1)NC(=O)CN1CC2C(C1)C2CNCc1cc(ccc1)OC(F)(F)F	SCHEMBL15967223,PC-id_90353545	425.488	KMQMJDUFQSULFZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161984
CC1CCCN(C1)C(=O)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F	PC-id_69470340,SCHEMBL5511210	425.488	FUNWZAZZDCHTET-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161985
CC1CCN(CC1)C(=O)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F	SCHEMBL5511358,PC-id_69470390	425.488	KFIYLWKGRDBVRG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-161986
COc1ccc(cc1)CN1CC2C(C1)C2C(=O)Nc1ccc(c(c1)F)N1CCOCC1	PC-id_69034647,SCHEMBL4415238	425.496	GKYIKCSNDINZPQ-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-161987
COc1cccc(c1)CN1CC2C(C1)C2C(=O)Nc1ccc(c(c1)F)N1CCOCC1	PC-id_69038826,SCHEMBL4425283	425.496	WUXKMWKBRAXBMQ-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-161988
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1	PC-id_89237267,SCHEMBL14055851	425.501	IWRVIIFWDSPMMW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-161989
COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(cc1F)OC[C@@]12CCCC[C@@H]1C2	PC-id_117860417,SCHEMBL16449071	425.514	HQNWQPHZPXWUIX-VFNWGFHPSA-N	00100000000010110000110000000000000000000000000000000000	22-01-161990
COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC2CCCC3)cc1F	BindingDB_PC-id_86703668,SCHEMBL16448529,PC-id_86703668,BindingDB-id_282006	425.514	HQNWQPHZPXWUIX-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-161991
Fc1ccc(C(N2CCN(C(=O)C3N(CC4C3C4)CC)CC2)c2ccc(F)cc2)cc1	PC-id_85331486	425.514	WACCUHWTUICGCW-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-161992
Fc1ccc(C(N2CCN(C(=O)C3N(C[C@@H]4[C@@H]3C4)CC)CC2)c2ccc(F)cc2)cc1	PC-id_10159454	425.514	WACCUHWTUICGCW-LOMQJKJHSA-N	00100010000010110001010000000000000000000000000000000000	22-01-161993
O=CCCOCCOCCOCCOCCNC(=O)OCC1C2C1CCC#CCC2	SCHEMBL17776300,PC-id_121357456	425.516	CVBRPTIKTOYYKR-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-161994
CCO[C@H](C(=O)O)Cc1ccc(cc1)OCCN[C@@H]1[C@@H]2C1CN(C2)Cc1ccncc1	SCHEMBL4756273	425.521	AXZPJPQPFIYFDL-MBJRSGMTSA-N	00100010000000111000010000000000000000000000000000000000	22-01-161995
O(CCNC1C2C1CN(C2)Cc1ccncc1)c1ccc(cc1)CC(OCC)C(=O)O	PC-id_77624429	425.521	AXZPJPQPFIYFDL-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-161996
O(CCNC1C2[C@@H]1CN(C2)Cc1ccncc1)c1ccc(cc1)C[C@H](OCC)C(=O)O	PC-id_69176383	425.521	AXZPJPQPFIYFDL-ZDDBVQPTSA-N	00100010000000111000010000000000000000000000000000000000	22-01-161997
O(CCNC1[C@H]2[C@@H]1CN(C2)Cc1ccncc1)c1ccc(cc1)C[C@H](OCC)C(=O)O	PC-id_69191243	425.521	AXZPJPQPFIYFDL-SMAIGVGUSA-N	00100010000000111000010000000000000000000000000000000000	22-01-161998
CCCCCCCNC(=NC[C@@H]1[C@@H]2[C@H]1[C@H](NC2)C(=O)NCC(=O)O)NC(=O)OCC	PC-id_101133088	425.522	DIKDPWPPCHLCTH-SRABZTEZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-161999
CCOc1cccc(c1)CN1CC2C(C1)C2CNc1ccc(c(c1)F)N1CCOCC1	PC-id_67307032,SCHEMBL2179983	425.539	SGYZVRSBJMWDFD-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-162000
COC1CCN(CC1)C(=O)C1=C(C)[C@@H]2C(CC1)C2/C=C(/c1ccccc1F)N=NCC	PC-id_144841607	425.539	GDUYQJQHKNVKGQ-CTYAYNFQSA-N	00100000000011110000010000000000000000000000000000000000	22-01-162002
CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CN)C)C	PC-id_89361513	425.559	GVPHCKWIBWLVPB-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-162003
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CCCCOCCOCCOCCOCCNC(=O)OC[C@@H]1[C@H]2[C@@H]1CCC#CCC2	SCHEMBL19369660	425.559	CYTALLIOHAKWMC-KOUNCHBCSA-N	00100000000000000110010000000000000000000000000000000000	22-01-162005
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N/C=C(/[C@H]1OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]([C@H](CCC[C@@]2([C@H](C1)O2)C)C)O)C	SCHEMBL14536497	425.559	GVPHCKWIBWLVPB-JAQFTHSQSA-N	00100000000000000100010000000000000000000000000000000000	22-01-162007
CC(=CCCC(=CCC(=C(C)CCC=C(C)C)C(=O)NC1=CC(=O)C2C(C1=O)O2)C)C	PC-id_88196779	425.56	VERJLJVLSKJIRG-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-162008
CC(=CCCC(=CCCC(=CCCC(=CC(=O)NC1=CC(=O)C2C(C1=O)O2)C)C)C)C	PC-id_88196781,SCHEMBL7757944	425.56	MAJIMUFJLBXZMS-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-162009
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CC(C1/C(=N/O)/CC2C1C2(C)C)OC(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_140353878	425.562	QJXYENJDTOAFEF-QCWLDUFUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-162011
CCOC(=O)C(c1ccccc1)(c1ccccc1)CC1C2C1CN(C2)Cc1ccccc1	SCHEMBL4757574,PC-id_25120360	425.562	MEGCNGSCTGDROX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-162012
O(C(N=O)CC1CC2C(C2(C)C)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_56993277	425.562	OQZNUTJFZTZHEI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-162013
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CC1(C)OC[C@@H]2C[C@]12C(=O)N1CCC([S@@](=O)(=NC(=O)Cc2cncs2)C)CC1	ZINC22_2332238962	425.565	ROXUICJLQZOQAS-MVVOFDHKSA-N	00100010100010000001010000000000000000000000000000000000	22-01-162015
CC1(C)OC[C@@H]2C[C@@]12C(=O)N1CCC([S@](=O)(=NC(=O)Cc2cncs2)C)CC1	ZINC22_2332238963	425.565	ROXUICJLQZOQAS-PUKPOVHDSA-N	00100010100010000001010000000000000000000000000000000000	22-01-162016
CC1(C)OC[C@@H]2C[C@]12C(=O)N1CCC([S@](=O)(=NC(=O)Cc2cncs2)C)CC1	ZINC22_2332238964	425.565	ROXUICJLQZOQAS-ULMCSZMWSA-N	00100010100010000001010000000000000000000000000000000000	22-01-162017
CC1(C)OC[C@@H]2C[C@@]12C(=O)N1CCC([S@@](=O)(=NC(=O)Cc2cncs2)C)CC1	ZINC22_2332238965	425.565	ROXUICJLQZOQAS-ZEIVITBKSA-N	00100010100010000001010000000000000000000000000000000000	22-01-162018
CCC1(Cc2nc(cnc2NC(=O)c2ccccc2)c2ccccc2)CC2C(C1)(C2)CC	SCHEMBL13068017,PC-id_70830185	425.565	OYRWTIARHMQQTK-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-162019
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OC(C1CCCCC1)(C(=O)NCNC1C2C1CN(C2)CCC=C(C)C)c1ccccc1	PC-id_73309190	425.607	JIPMKNUCSBDBPD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-162029
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COC(=O)[C@@H]1CCC2[C@@]([C@H]1Nc1nc(Cl)ncc1F)(I)C2	SCHEMBL19258814	425.625	YIWTZOYCLUFJRR-UDIZLTSKSA-N	00100000000010100001010000000000000000000000000000000000	22-01-162032
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Cc1ccc(c(n1)C(=O)N1CC2C[C@@H]2C[C@H]1COc1ccc(cn1)C(F)(F)F)Cl	PC-id_70213191,SCHEMBL7871769	425.832	RQQWDOLRMYDTIM-JHIQODARSA-N	00100000000010101000010000000000000000000000000000000000	22-01-162040
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C1C2C1NC(C2=S(=O)=O)C(=O)NCC3=CC(=NC=N3)C4=CN=C(N=C4)C(F)(F)F	PC-id_154468406	426.072	MPZKBHARCITYPL-UHFFFAOYSA-N	00100010000000100001110000000000000000000000000000000000	22-01-162046
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c1ccc(cc1)N(c1cccc(n1)c1cccc(n1)NC1=CC2C(C=C1)C2)c1ccccc1	PC-id_143216475	428.528	DNYHEARQSCCQAP-UHFFFAOYSA-N	00100000000011111000110000000000000000000000000000000000	22-01-162517
Cc1c(nccc1)c1c(nc(cc1)C)C(=O)N1CC2CC2CC1CNc1nnc(cc1)C	PC-id_91186612	428.529	ONKHDCYBSKTUKZ-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-162518
NC(=N)Nc1nc2c(s1)C2SCCNc1[nH]cc(c(=O)n1)Cc1ccc(nc1)C	PC-id_53754994,SCHEMBL10795666	428.534	DDUDZWPEDCPXSN-UHFFFAOYSA-N	00100000100000101001010000000000000000000000000000000000	22-01-162519
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CS/C=CC(=O)O[C@H]1C[C@](C)(O)C(=O)CC[C@]2([C@@H]([C@@H]([C@@H]1C(C)C)OC(=O)C)O2)C	UNPD203302	428.54	PETOZMLBLGBQEC-REDOIAGCSA-N	00100000000000000100010000000000000000000000000000000000	22-01-162521
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CCOC(=O)C1(CC2C(C1)(C2)C(=C)C(=O)OCCC[Si](OC)(OC)OC)C(=O)C	SCHEMBL13108984,PC-id_58689530	428.549	QEMNHJFYTOELSJ-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-162526
CC[Si](OCC1=C(COC(=O)C)[C@H]([C@@H]2[C@H]([C@@H]1OC(=O)C)O2)OC(=O)C)(CC)CC	PC-id_101746521	428.549	XKINXPAOQLZKNA-WTGUMLROSA-N	00100000000011000000010000000000000000000000000000000000	22-01-162527
O=C(N1CC[C@H]2[C@@]1(C2)C(=O)N)Nc1nc(c(s1)c1ccnc(n1)C(C(C)C)(C)C)C	PC-id_57748167,SCHEMBL13781862	428.551	OIZLYRIYKQLFAK-ASSNKEHSSA-N	00100010100000100001110000000000000000000000000000000000	22-01-162528
CCCCCCCC[C@@]12[C@@H](CC=CCCC(C(=O)OCCC)O)C(=O)C[C@@H]1C2(F)F	PC-id_68120419,SCHEMBL11730777	428.553	NFWGGGJCKXCUTQ-NWIRMBLNSA-N	00100010000000000000010000000000000000000000000000000000	22-01-162529
FC1(F)C2(C1CC(=O)C2CC=CCCC(O)C(=O)OCCC)CCCCCCCC	PC-id_77413229	428.553	NFWGGGJCKXCUTQ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-162530
FC(Sc1ccc(cc1)CN1C[C@@H]2[C@H](C1)C2COCCCN1CCCCC1)(F)F	PC-id_69567739,SCHEMBL5793181	428.555	PVMHAMFHJQYJHP-WCRBZPEASA-N	00100010000010110000010000000000000000000000000000000000	22-01-162531
FC(Sc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@H]2COCCCN1CCCCC1)(F)F	SCHEMBL5793175	428.555	PVMHAMFHJQYJHP-AERCQKQUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-162532
FC(Sc1ccc(cc1)CN1C[C@@H]2[C@H](C1)[C@@H]2COCCCN1CCCCC1)(F)F	SCHEMBL5793179	428.555	PVMHAMFHJQYJHP-WKCHPHFGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-162533
S(c1ccc(CN2CC3C(C3COCCCN3CCCCC3)C2)cc1)C(F)(F)F	PC-id_77682901	428.555	PVMHAMFHJQYJHP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-162534
Cc1cc(cc(c1OCC(CO)O)C)CCC(=O)N1CCC2C(C2(C)C)C(=C)C(=N1)C	SCHEMBL15979316,PC-id_90363104	428.564	VLKJJEZSDFEEDA-UHFFFAOYSA-N	00100000000000110111010000000000000000000000000000000000	22-01-162535
CC(C)(C)NC(=O)OCCCC1C2C1CN(C2)C(=O)C(C1CCC1)(c1ccccc1)O	PC-id_91161925	428.564	AOXHUKITDKFFCV-UHFFFAOYSA-N	00101010000000110000010000000000000000000000000000000000	22-01-162536
O=C(C1C2C1CN(C2)C(=O)OC(C)(C)C)NC(COc1ccc(cc1C)C1CC1)(C)C	SCHEMBL19724416	428.564	TWMOUBZVQFRIDX-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-162537
O=C(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(COc1ccc(cc1C)C1CC1)(C)C	PC-id_117709351	428.564	TWMOUBZVQFRIDX-PMSBKCLSSA-N	00100010000000110000110000000000000000000000000000000000	22-01-162538
O=C([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(COc1ccc(cc1C)C1CC1)(C)C	SCHEMBL16252914	428.564	TWMOUBZVQFRIDX-KXTWHKPSSA-N	00100010000000110000110000000000000000000000000000000000	22-01-162539
O(C(=O)N1CC2C(C2CNC(=O)C(OC)(C2CCCC2)c2ccccc2)C1)C(C)(C)C	PC-id_11495647	428.564	QZEPEBNOCWRMBX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-162540
C1(C(=O)Nc2ccc(cc2)c2ccc(cc2)NC(=O)C2C3C2CCCC3)C2C1CCCC2	BAS-00190444,EMOLS-id_1172598,PC-id_3094339,MCULE-1227689510	428.566	LBIJPBFILQNBGT-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162541
C1(C(=O)Nc2ccccc2c2ccccc2NC(=O)C2C3C2CCCC3)C2C1CCCC2	EMOLS-id_177513294,CK1633169,MCULE-4570358403,PC-id_6611644	428.566	NFRHIRNXQIYSJS-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162542
O=C(C1[C@@H]2[C@H]1CCCC2)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C1[C@H]2[C@H]1CCCC2	PC-id_100091590	428.566	LBIJPBFILQNBGT-DIKFGULDSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162543
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)Nc1ccc(cc1)c1ccc(cc1)NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_17055	428.566	LBIJPBFILQNBGT-XUHLDYCGSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162544
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Nc1ccc(cc1)c1ccc(cc1)NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_17056	428.566	LBIJPBFILQNBGT-GDXAGGOLSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162545
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)Nc1ccccc1c1ccccc1NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_588292	428.566	NFRHIRNXQIYSJS-GFRJORTISA-N	00100000000010110000110000000000000000000000000000000000	22-01-162546
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Nc1ccccc1c1ccccc1NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_588293	428.566	NFRHIRNXQIYSJS-JCYORKKNSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162547
O=C(Nc1c(c2c(NC(=O)C3[C@@H]4[C@H]3CCCC4)cccc2)cccc1)C1[C@@H]2[C@H]1CCCC2	PC-id_26722802	428.566	NFRHIRNXQIYSJS-YBTCADERSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162548
O=C(Nc1ccc(c2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)cc1)C1[C@@H]2CCCC[C@@H]12	PC-id_100874050,ZINC22_229932286	428.566	LBIJPBFILQNBGT-MOUTVQLLSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162549
O=C(Nc1ccc(c2ccc(NC(=O)C3[C@H]4CCCC[C@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12	PC-id_98117268,ZINC22_100499928	428.566	LBIJPBFILQNBGT-ZJZGAYNASA-N	00100000000010110000110000000000000000000000000000000000	22-01-162550
O=C(Nc1ccc(c2ccc(NC(=O)C3[C@H]4CCCC[C@@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12	PC-id_98117269,ZINC22_100499930	428.566	LBIJPBFILQNBGT-UOKHFBGGSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162551
O=C(Nc1ccc(c2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12	ZINC22_100499932	428.566	LBIJPBFILQNBGT-SWIJEOLNSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162552
O=C(Nc1ccc(c2ccc(NC(=O)C3[C@H]4[C@@H]3CCCC4)cc2)cc1)C1[C@H]2[C@@H]1CCCC2	PC-id_1113198	428.566	LBIJPBFILQNBGT-ICFBRBJFSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162553
O=C(Nc1ccc(c2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)cc2)cc1)C1[C@@H]2CCCC[C@@H]12	ZINC22_245377415	428.566	LBIJPBFILQNBGT-HIILVWPSSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162554
O=C(Nc1ccc(c2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12	ZINC22_245377416	428.566	LBIJPBFILQNBGT-IIDPJMFPSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162555
O=C(Nc1ccc(c2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)cc2)cc1)[C@@H]1[C@H]2CCCC[C@@H]12	CoCoCo_17054,ZINC22_245377417	428.566	LBIJPBFILQNBGT-OTZCPNHCSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162556
O=C(Nc1ccccc1c1ccccc1NC(=O)C1[C@@H]2CCCC[C@@H]12)C1[C@@H]2CCCC[C@@H]12	ZINC22_299872809	428.566	NFRHIRNXQIYSJS-GXRSIYKFSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162557
O=C(Nc1ccccc1c1ccccc1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]12)C1[C@H]2CCCC[C@H]12	ZINC22_299872811	428.566	NFRHIRNXQIYSJS-KUMDOQPPSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162558
O=C(Nc1ccccc1c1ccccc1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]12)C1[C@@H]2CCCC[C@@H]12	ZINC22_299872812	428.566	NFRHIRNXQIYSJS-VOVKLJIOSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162559
O=C(Nc1ccccc1c1ccccc1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]12)[C@@H]1[C@H]2CCCC[C@@H]12	CoCoCo_588291,ZINC22_299872810	428.566	NFRHIRNXQIYSJS-HUOUFMMHSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162560
CC(C)Cc1cc(CNC(=O)C2C3CN(Cc4ccccc4)CC23)nn1c1ccccc1	PC-id_86292754,SCHEMBL16241086,CHEMBL4560282	428.569	XSMGEMJWPJTAKN-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-162561
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O=C(C1[C@@H]2[C@H]1CCCC2)Nc1nccc(c1)CSCCOC(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_100090154	428.587	CWTWWERCSQEVOB-AMFXZBPSSA-N	00100000000010101000010000000000000000000000000000000000	22-01-162565
O=C(C1[C@@H]2[C@H]1CCCC2)Nc1nccc(c1)CSCCOC(=O)C1[C@H]2[C@H]1CCCC2	PC-id_100090156	428.587	CWTWWERCSQEVOB-NKSMOILXSA-N	00100000000010101000010000000000000000000000000000000000	22-01-162566
O=C(C1[C@H]2[C@H]1CCCC2)Nc1nccc(c1)CSCCOC(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_100909691	428.587	CWTWWERCSQEVOB-ONNRWAPFSA-N	00100000000010101000010000000000000000000000000000000000	22-01-162567
O=C(C1[C@@H]2[C@@H]1CCCC2)Nc1nccc(c1)CSCCOC(=O)C1[C@@H]2[C@H]1CCCC2	PC-id_98295900	428.587	CWTWWERCSQEVOB-LERXNZBMSA-N	00100000000010101000010000000000000000000000000000000000	22-01-162568
O=C(Nc1cc(CSCCOC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)ccn1)C1[C@@H]2CCCC[C@@H]12	ZINC22_252511006	428.587	CWTWWERCSQEVOB-DIGZUXTDSA-N	00100000000010101000010000000000000000000000000000000000	22-01-162569
O=C(Nc1cc(CSCCOC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)ccn1)C1[C@H]2CCCC[C@H]12	ZINC22_252511008	428.587	CWTWWERCSQEVOB-NJCLPOECSA-N	00100000000010101000010000000000000000000000000000000000	22-01-162570
O=C(Nc1cc(CSCCOC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)ccn1)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_252511009	428.587	CWTWWERCSQEVOB-YKPWNLHMSA-N	00100000000010101000010000000000000000000000000000000000	22-01-162571
O=C(OCCSCc1ccnc(NC(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c1)C1[C@@H]2CCCC[C@@H]12	ZINC22_252511007	428.587	CWTWWERCSQEVOB-HZVKZAKPSA-N	00100000000010101000010000000000000000000000000000000000	22-01-162572
CCCCCN(CCCc1ccc(c(c1)C(=O)NCC1CC2C(=C1C)C2)P)CCC	PC-id_142069879	428.59	XABUSUCGNHDQDY-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-162573
Cc1c(ccc(n1)N)C[N+]1(CCCC2C1(C2)C(=O)N)C(=O)C(CC1CCCCC1)NC	PC-id_88125528	428.591	KWPOMEYVSVFJBP-UHFFFAOYSA-O	00100000000010101000010000000000000000000000000000000000	22-01-162574
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CC(C)(CCCC1C=CC(=C1)CCC(=O)C1=CC2C(=C1CCCC(C)(C)CO)O2)CO	SCHEMBL3280037,PC-id_87504012	428.604	BXVAOULXXATKIQ-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-162576
CCCCOCCCC1(CC(COCCCC)N2C(C1)C2COCCCC)[N+](=O)[O-]	PC-id_89205140,SCHEMBL13945996	428.606	HYRRAOSSKZHTTE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-162577
CCC(COC)(COC(=O)C1CCC2C(C1)S2)COC(=O)C1CCC2C(C1)S2	SCHEMBL15701511,PC-id_89399733	428.606	JBRBWVNIBHBWMB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-162578
COCC(COC(=O)C1CCC2C(C1)S2)(COC(=O)C1CC[C@H]2C(C1)S2)CC	SCHEMBL14670836	428.606	JBRBWVNIBHBWMB-MFUDGKJBSA-N	00100000000010000000010000000000000000000000000000000000	22-01-162579
[Si](C1C2C(C2)C(OCc2ccccc2)C1OCc1ccccc1)(C)(C)c1ccccc1	PC-id_85276183	428.638	ABMFBYXPKVSOKG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-162580
[Si]([C@@H]1[C@@H]2[C@@H](C2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C)(C)c1ccccc1	PC-id_10812472	428.638	ABMFBYXPKVSOKG-CRWBFSFISA-N	00100010000010110000010000000000000000000000000000000000	22-01-162581
CCCC1CCC(CC1)c1ccc(cc1)OCCCCCCOCC1CCC2C(C1)O2	PC-id_58220423,SCHEMBL12730734	428.647	IJHAOVDXAXLKRC-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-162582
CCCCCCCCCCCCCCCCc1c(O)cc2c(c1S(=O)(=O)O)S2	PC-id_140330341	428.649	QVZXPFAFVHPYFT-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-162583
CCCCCCCCCCCCCCCCc1c(O)cc(c2c1S2)S(=O)(=O)O	PC-id_140002498	428.649	ZJSDXSBLGVAHKA-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-162584
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CC(=O)O[C@H]1C=C(CO[Si](C(C)(C)C)(C)C)[C@@H]([C@H]2[C@@H]1O2)O[Si](C(C)(C)C)(C)C	PC-id_102212627	428.71	ZJFLFNFJPFRVER-OKYOBFRVSA-N	00100000000011000000010000000000000000000000000000000000	22-01-162586
CC(=O)O[C@H]1C=C(CO[Si](C(C)(C)C)(C)C)[C@H]([C@H]2[C@@H]1O2)O[Si](C(C)(C)C)(C)C	PC-id_102212628	428.71	ZJFLFNFJPFRVER-MANSERQUSA-N	00100000000011000000010000000000000000000000000000000000	22-01-162587
[Si](OC1C2OC2C=C(C1O[Si](C(C)(C)C)(C)C)C(=O)OCC)(C(C)(C)C)(C)C	PC-id_85414456	428.71	OZFHZFPMXBOHFJ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-162588
[Si](O[C@@H]1[C@H]2O[C@H]2C=C([C@H]1O[Si](C(C)(C)C)(C)C)C(=O)OCC)(C(C)(C)C)(C)C	PC-id_11144433	428.71	OZFHZFPMXBOHFJ-MHORFTMASA-N	00100000000011000000010000000000000000000000000000000000	22-01-162589
CC[Si](O[C@@H]1[C@@H](CC[C@@H]([C@@H]2[C@H]1O2)C)[C@@H](CO[Si](C(C)(C)C)(C)C)C)(CC)CC	PC-id_102243193	428.796	XVWAPRQMTLNLPM-NXOOKBFXSA-N	00100000000000000100010000000000000000000000000000000000	22-01-162590
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CC/C(=NOC(=O)C1C2(C#N)C(=NC(O/N=C(C)/CC)(O/N=C(C)/CC)C12C#N)N)/C	EMOLS-id_330314078,PC-id_145916404	429.473	OBIYNLZSQMYIHU-IRPMPODFSA-N	00100011000000000000010000000000000000000000000000000000	22-01-162671
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CC/C(=NOC(=O)[C@@H]1[C@@]2(C#N)C(=NC(O/N=C(C)/CC)(O/N=C(C)/CC)[C@@]12C#N)N)/C	ZINC22_102442895	429.473	OBIYNLZSQMYIHU-DPWQEOJRSA-N	00100011000000000000010000000000000000000000000000000000	22-01-162673
CC/C(=NOC(=O)[C@@H]1[C@]2(C#N)C(=N)NC(O/N=C(C)/CC)(O/N=C(C)/CC)[C@]12C#N)/C	ZINC22_1848443976	429.473	OBIYNLZSQMYIHU-HWEUEKRJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-162674
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CC1CC[C@H]([C@@H](C1)OC(=O)O[C@H](OC(=O)[C@H]1[C@H]2[C@@H]1[C@]([C@H](C2)F)(N)C(=O)O)C)C(C)C	SCHEMBL16613104,PC-id_117989476	429.48	IPAZEPBIOFZFEF-HNAREYLDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-162676
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COc1cccc(n1)OCC1C[C@H]2C[C@H]2CN1C(=O)c1nc(C)ccc1c1ccccc1	SCHEMBL7869957,PC-id_70212720	429.511	NGCRWMJZKDEJAP-PDYHCXRVSA-N	00100000000010111000110000000000000000000000000000000000	22-01-162696
COc1cccc(n1)OC[C@@H]1C[C@H]2C[C@H]2CN1C(=O)c1nc(C)ccc1c1ccccc1	PC-id_49804545,SCHEMBL609528	429.511	NGCRWMJZKDEJAP-HKBOAZHASA-N	00100000000010111000110000000000000000000000000000000000	22-01-162697
O(CC1N(CC2C(C2)C1)C(=O)c1nc(ccc1c1ccccc1)C)c1nc(OC)ccc1	PC-id_75283100	429.511	NGCRWMJZKDEJAP-UHFFFAOYSA-N	00100000000010111000110000000000000000000000000000000000	22-01-162698
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CC(NC(=O)C1CCC2(C(C1)O2)C)S(=O)(=O)C(C)OC(=O)C1CCC2(C(C1)O2)C	SCHEMBL13320046,PC-id_89059516	429.528	AAJPALOXAHVRJA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-162704
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CC(=O)N1C[C@@H]2C[C@]2(C(=O)N2C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C(C)(C)C2)C1	ZINC22_1875322329	429.534	PMMDPMJZPIYCCO-IYOUNJFTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-162708
CC(=O)N1C[C@@H]2C[C@@]2(C(=O)N2C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C(C)(C)C2)C1	ZINC22_1875322330	429.534	PMMDPMJZPIYCCO-PMUMKWKESA-N	00100010000000000000010000000000000000000000000000000000	22-01-162709
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c1(cn(nc1c1ccncc1)C)S(=O)(=O)N1CCN(CC1)C(=O)C1C2C1CCCC2	EMOLS-id_369418,MCULE-7553603080,PC-id_110222865,AEM-19577139	429.536	KDZOBNCVHMVGMD-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-162712
Cn1cc(S(=O)(=O)N2CCN(C(=O)C3[C@H]4CCCC[C@@H]34)CC2)c(c2ccncc2)n1	PC-id_92427303,ZINC22_12232215	429.536	KDZOBNCVHMVGMD-JJTKIYQPSA-N	00100000100010101001110000000000000000000000000000000000	22-01-162713
Cn1cc(S(=O)(=O)N2CCN(C(=O)C3[C@H]4CCCC[C@H]34)CC2)c(c2ccncc2)n1	ZINC22_100205368,PC-id_98073055	429.536	KDZOBNCVHMVGMD-IRXDYDNUSA-N	00100000100010101001110000000000000000000000000000000000	22-01-162714
Cn1cc(S(=O)(=O)N2CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)c(c2ccncc2)n1	ZINC22_100205376,PC-id_98073056	429.536	KDZOBNCVHMVGMD-IAGOWNOFSA-N	00100000100010101001110000000000000000000000000000000000	22-01-162715
Cn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4CCCC[C@@H]34)CC2)c(c2ccncc2)n1	ZINC22_248120867	429.536	KDZOBNCVHMVGMD-DZFIZOCASA-N	00100000100010101001110000000000000000000000000000000000	22-01-162716
CC(=S)NC[C@@H]1OCN(C1)c1ccc(c(c1)F)NC1=CC(=CC=CC2C1O2)C(C)C	PC-id_143555230	429.551	XZFRQSJDZZMRON-NWLLBJEDSA-N	00100010000000110111110000000000000000000000000000000000	22-01-162717
COc1ccc(cc1)CO[C@H]([C@H](N1CCCCC1=O)C1=CC2C(C=C1)C2)c1ccccc1	PC-id_143372966	429.551	XICOIVFQVALXIO-AFBPAIFSSA-N	00100000000011110000010000000000000000000000000000000000	22-01-162718
Fc1ccc(cc1OC1CCCCC1)CN(C(=O)c1cscn1)CC1C2C1CNC2	SCHEMBL6103602,PC-id_11951311	429.551	CQPLQTJABFDRNJ-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-162719
O(C1C(N2C(C2)CC1OCc1ccccc1)COCc1ccccc1)Cc1ccccc1	PC-id_72821654	429.551	GLOZKRQZQAQXMH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162720
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COc1cccc(c1)CC(=O)N1CCN(CC1)CC12CN(CC1C2)C(=O)OC(C)(C)C	MCULE-1314443946,EMOLS-id_76043850,PC-id_121579192	429.552	ULVZNKQKSMGOGH-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-162722
COc1cccc(CC(=O)N2CCN(C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1	ZINC22_241942354	429.552	ULVZNKQKSMGOGH-CYFREDJKSA-N	00100010000010110001010000000000000000000000000000000000	22-01-162723
COc1cccc(CC(=O)N2CCN(C[C@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1	ZINC22_241942355	429.552	ULVZNKQKSMGOGH-DVECYGJZSA-N	00100010000010110001010000000000000000000000000000000000	22-01-162724
COc1cccc(CC(=O)N2CCN(C[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1	ZINC22_241942356	429.552	ULVZNKQKSMGOGH-NTKDMRAZSA-N	00100010000010110001010000000000000000000000000000000000	22-01-162725
COc1cccc(CC(=O)N2CCN(C[C@@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1	ZINC22_241942357	429.552	ULVZNKQKSMGOGH-YADARESESA-N	00100010000010110001010000000000000000000000000000000000	22-01-162726
CCCCCNNC(=O)C12C=CCC(=CC1C2)Oc1ccccc1C(=N)c1ccccc1	PC-id_143446626	429.554	XKWZGEMDJXBWQO-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-162727
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O=C(NC1C2[C@@H]1CN(C2)Cc1ccc(cc1)C#N)C(O)(C1CCCCC1)c1ccccc1	PC-id_68902726	429.554	HRNKEUHMSLYITO-LWKWMVGZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-162736
O=C(NC1C2[C@@H]1CN(C2)Cc1c(cccc1)C#N)C(O)(C1CCCCC1)c1ccccc1	PC-id_68904869	429.554	RVPFQCSCWLILGZ-LWKWMVGZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-162737
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CCCC(=C)c1ccc(c(n1)CCCc1cccc(c1)F)C(=O)CCC1=CC=CC2C1C2	PC-id_143621683	429.569	XRPDOWFGZVDBCL-UHFFFAOYSA-N	00100000000011111000010000000000000000000000000000000000	22-01-162740
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CC/C(=NC(=C/CC1=CC2C(C=C1)C2)c1ccccc1)/c1ccc(cc1)c1ccc(cc1)C	SCHEMBL14303244	429.595	HOFVEPHLCZQOML-HJZGKSEFSA-N	00100000000011110000110000000000000000000000000000000000	22-01-162743
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CCOC(=O)[C@H]1[C@H]2[C@@H]1C[C@@H](C=C2)Oc1c(Cl)cc(c(c1Br)O)CCC	PC-id_101610864	429.733	MWGJCEWYAXGEGH-CXTNEJHOSA-N	00100000000011110000010000000000000000000000000000000000	22-01-162746
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BrC1=CC(=CNNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)C=C(Br)C1=O	PC-id_27234280	430.134	JMAFWNGPQHYUEK-WNMQOVRZSA-N	00100000000011000000010000000000000000000000000000000000	22-01-162750
BrC1=CC(=CNNC(=O)[C@@H]2[C@]3([C@@H]2CCCC3)C)C=C(Br)C1=O	PC-id_40965267	430.134	JMAFWNGPQHYUEK-CKUKBARFSA-N	00100000000011000000010000000000000000000000000000000000	22-01-162751
C12(CCCCC1C2C(=O)NN=Cc1cc(Br)c(c(Br)c1)O)C	MCULE-3490755657	430.134	KTSVMZGRLSGIAZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162752
CC12CCCCC1C2C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	PC-id_135643010,EMOLS-id_26683003,TIMTEC272702	430.134	KTSVMZGRLSGIAZ-UFWORHAWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162753
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1cc(c(c(c1)Br)O)Br	CoCoCo_6561716,PC-id_136822577	430.134	KTSVMZGRLSGIAZ-JYBLOBQTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162754
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1cc(c(c(c1)Br)O)Br	PC-id_135938330,CoCoCo_6561712	430.134	KTSVMZGRLSGIAZ-UVQDZNATSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162755
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1cc(c(c(c1)Br)O)Br	PC-id_136829077	430.134	KTSVMZGRLSGIAZ-VBUFVREVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162756
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1cc(c(c(c1)Br)O)Br	PC-id_136829078	430.134	KTSVMZGRLSGIAZ-XFQCRSOKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162757
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=Cc1cc(c(c(c1)Br)O)Br	PC-id_137030310	430.134	KTSVMZGRLSGIAZ-CGTPHKPOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162758
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=Cc1cc(c(c(c1)Br)O)Br	PC-id_137030311	430.134	KTSVMZGRLSGIAZ-XISDAPCBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162759
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=Cc1cc(cc(c1O)Br)Br	PC-id_137059811	430.134	XBMVYPVEWWJMIO-RHSCBUCGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162760
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=Cc1cc(cc(c1O)Br)Br	PC-id_137059812	430.134	XBMVYPVEWWJMIO-JLXHDCRJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162761
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=Cc1cc(cc(c1O)Br)Br	PC-id_137059813	430.134	XBMVYPVEWWJMIO-YSURDQQJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162762
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=Cc1cc(cc(c1O)Br)Br	PC-id_137059814	430.134	XBMVYPVEWWJMIO-CIVLVYJMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162763
O=C([C@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=C/c1cc(Br)c(c(c1)Br)O	CoCoCo_6561711,GD-id_ZINC09194301	430.134	KTSVMZGRLSGIAZ-WGVOZUKMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-162764
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CC/C=CC/C=CC/C=CC12CC2(C1)OC(=O)OC(C(C)C)I	SCHEMBL12462277	430.32	WPAYLMPSZAJOTN-AGRJPVHOSA-N	00101000000000000000010000000000000000000000000000000000	22-01-162785
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C1C2(C1(C2)F)COc1nn(cc1)c1nc(c(cc1)C(=O)NSc1ccccc1)Cl	PC-id_134398862,SCHEMBL20029806	430.883	CQGUTSKPRLCWBI-UHFFFAOYSA-N	00101000100000111001110000000000000000000000000000000000	22-01-162975
Clc1cc(CNC(=O)C2N(C3C(C3)C2)C(=O)C(O)CC2CC2)c(cc1)c1n[nH]nn1	PC-id_77562020	430.888	HHLWOSIEZFCOMB-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-162976
Clc1cc(CNC(=O)C2N(CC3C2C3)C(=O)C(O)CC2CC2)c(cc1)c1n[nH]nn1	PC-id_77562576	430.888	JBDUWRKLSCYTRI-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-162977
Clc1cc(CNC(=O)[C@H]2N(C[C@H]3[C@@H]2C3)C(=O)[C@H](O)CC2CC2)c(cc1)c1n[nH]nn1	PC-id_68844652,SCHEMBL3933049	430.888	JBDUWRKLSCYTRI-SJWGOKEGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-162978
Clc1cc(CNC(=O)[C@H]2N(C[C@H]3[C@@H]2C3)C(=O)[C@H](O)CC2CC2)c(n2nnnc2)cc1	SCHEMBL4210075,PC-id_25154219	430.888	APAPKJKBBBTDAE-PLYYQAHHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-162979
Clc1cc(CNC(=O)[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)[C@H](O)CC2CC2)c(cc1)c1n[nH]nn1	PC-id_68841347,SCHEMBL3924321	430.888	HHLWOSIEZFCOMB-GNCDUGFZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-162980
Clc1cc(CNC(=O)[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)[C@H](O)CC2CC2)c(n2nnnc2)cc1	SCHEMBL4198562,PC-id_25154221	430.888	NRTNVZYUQJADMK-GYIHYUDTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-162981
Clc1cc(CNC(=O)[C@H]2N([C@H]3[C@H](C3)C2)C(=O)[C@H](O)CC2CC2)c(n2nnnc2)cc1	SCHEMBL4200943,PC-id_25154220	430.888	NRTNVZYUQJADMK-GQAVTEOGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-162982
CC(C)(C)OC(=O)N1CC2C[C@@H]2[C@H]1C(=O)Nc1cccc(c1F)c1ccccc1Cl	PC-id_135182970,SCHEMBL20334079	430.9	MKUUQVSFEJPECK-VHXSRGPHSA-N	00100010000000110000110000000000000000000000000000000000	22-01-162983
O=C(C1CC2C(N1C(=O)OC(C)(C)C)C2)Nc1cccc(c1F)c1ccccc1Cl	PC-id_118322334,SCHEMBL17023466	430.9	WHKUMPBAUOIITI-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-162984
O=C([C@@H]1CC2([C@H](N1C(=O)O)C2)C(C)(C)C)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL18549479	430.9	SNAOQZHXAZPNJK-BSKKSYLPSA-N	00100010000000110000110000000000000000000000000000000000	22-01-162985
O=C([C@H]1CC2C(N1C(=O)OC(C)(C)C)C2)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL18555342	430.9	WHKUMPBAUOIITI-ARHKQHADSA-N	00100010000000110000110000000000000000000000000000000000	22-01-162986
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)OC(C)(C)C)C2)Nc1cccc(c1F)c1ccccc1Cl	PC-id_118322335,SCHEMBL17023467	430.9	WHKUMPBAUOIITI-ZNOIYHFQSA-N	00100010000000110000110000000000000000000000000000000000	22-01-162987
O=C([C@@H]1C[C@@H]2C(N1C(=O)OC(C)(C)C)C2)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL18610841	430.9	WHKUMPBAUOIITI-WRGHYRGKSA-N	00100010000000110000110000000000000000000000000000000000	22-01-162988
O=C([C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)Nc1cccc(c1F)c1ccccc1Cl	PC-id_140882307	430.9	MKUUQVSFEJPECK-RISOHXOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-162989
CC12CCC(CC1O2)C(=O)OCC(COC)(COC(=O)C1CCC2(C(C1)O2)C)Cl	SCHEMBL14411052,PC-id_89331501	430.92	PTYIJFIMHKWPFC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-162990
OCC1CC(O)CC(O1)c1ccc(c(c1)Cc1ccc(cc1)OC1C2C1COC2)Cl	PC-id_144497731	430.921	SEYPYGAQIKRCBJ-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-162991
OC[C@@H]1C[C@H](O)C[C@@H](O1)c1ccc(c(c1)Cc1ccc(cc1)OC1C2C1COC2)Cl	SCHEMBL18466571	430.921	SEYPYGAQIKRCBJ-XUQXGPKUSA-N	00100010000010110000110000000000000000000000000000000000	22-01-162992
O=C([C@@H]1C[C@H]2[C@@H](N1C(=O)CCC(C)(C)C)C2)NCc1cc(Cl)ccc1n1cnnn1	PC-id_145543295	430.931	CTOWUVWPHSJYLQ-KKXDTOCCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-162993
Clc1cnc(cc1c1ccc(c(n1)NCC12CCOCC1C2)F)NC1CCCCC1	PC-id_144418864	430.946	AIDPIOUZBXDIPA-UHFFFAOYSA-N	00100000000010101000110000000000000000000000000000000000	22-01-162994
CCCCCN(CC1C2C1CN(C2)Cc1ccc(cc1)Cl)C(=O)Oc1cn(cn1)C	PC-id_90353593,SCHEMBL15967274	430.971	LVVVINIFDUCKKI-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-162995
CCC(C)CN(CC1C2C1CN(C2)Cc1ccc(cc1)Cl)C(=O)Oc1cn(cn1)C	SCHEMBL15967055,PC-id_90353375	430.971	AYTLVWNULOBLKG-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-162996
CCCCn1cc(nc1)OC(=O)N(CC1C2C1CN(C2)CC)Cc1cc(ccc1)Cl	PC-id_90353533,SCHEMBL15967211	430.971	RFLADMYZXSIAGF-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-162997
CCCN1CC2C(C1)C2CN(Cc1cc(ccc1)Cl)C(=O)Oc1cn(cn1)C(C)C	PC-id_90353526,SCHEMBL15967204	430.971	WNZRLQBIIWYROH-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-162998
CCCN1CC2C(C1)C2CN(Cc1cc(ccc1)Cl)C(=O)Oc1cn(cn1)CCC	SCHEMBL15967268,PC-id_90353587	430.971	TZFROTAQRHPLNA-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-162999
CC(C)(C)C(=O)N1C2[C@@](S2)(CCC1=O)Cc1ccc(cc1)c1c(ccc(c1)Cl)F	PC-id_163811803	431.112	NNXIEBKENDMNDQ-JFGZAKSSSA-N	00100000000010110000110000000000000000000000000000000000	22-01-163000
CCC(C1[C@H]2[C@@H]1CC(C2)NC(=O)C3=C(C=CC=N3)Cl)NC(=O)C4=CC=C(C=C4)Cl	PC-id_148083531	431.117	JMLSVILZGLUFQD-BRMDDGIZSA-N	00100010000010111000010000000000000000000000000000000000	22-01-163001
C1CN(CCC1CN)C2=NC(=CC(=N2)OCC(F)(F)F)/C=C/C4C(O4)NC(=O)S3	PC-id_153163366	431.124	WCTWWLWEJPCAGR-WZUFQYTHSA-N	00100000000010100001110000000000000000000000000000000000	22-01-163002
CCC(C1C2C1CC(C2)NC3=C(C=CC(=C3)F)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)Cl	PC-id_153289074	431.141	ZBKDCJOKNHZFPM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163003
CCC(C1[C@H]2[C@@H]1CC(C2)NC3=C(C=CC(=C3)F)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)Cl	PC-id_149471257	431.141	ZBKDCJOKNHZFPM-WHWMZARZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163004
C1CC2C(C1)C2NC3=NC(=NC(=N3)NC4=CC(=CN=C4)F)C5=NC(=CC=C5)C(F)(F)F	PC-id_160155632	431.148	GKXKKJPKZNACMB-UHFFFAOYSA-N	00100010000010101001110000000000000000000000000000000000	22-01-163005
CC1C2CC2CCCN1C(=O)C3=C(C(=O)C(=CN3)C(=O)NCC4=C(C=C(C=C4)F)F)O	PC-id_155155242	431.166	HGDVNYLAWGISSX-UHFFFAOYSA-N	00100000000000111100010000000000000000000000000000000000	22-01-163006
CC1=CC=CC2=C([C@@H]12)C(=O)NC(=S)Nc1c(nccc1)Oc1ccccc1C(C)(C)C	PC-id_164022314	431.167	VAOCHKOPFFWRDF-FQEVSTJZSA-N	00110000000011111000010000000000000000000000000000000000	22-01-163007
CC1=CC(=CC=C1)C2=C(N=C(S2)C)C(=O)N3[C@@H](C[C@H]4[C@@H]3C4)CC5=CC=CC=C5C(=O)N	PC-id_153879623	431.167	DESVFSWYLDWBRS-SBHAEUEKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163008
C1[C@@H]2[C@@H](C2=CNC(=O)C3=CC=CC(=C3)CN4C=C(C=N4)NC(=O)C5=NC=CN=C5N)CO1	PC-id_155220567	431.171	OAFZVYUPDVOTOB-HDICACEKSA-N	00100010100000110001010000000000000000000000000000000000	22-01-163009
COC1=NC(=C(C=C1CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2)F)OC4CCC(CC4)C(F)(F)F	PC-id_153679245	431.183	GBEBJJCEXGFMMJ-XNTHNPNRSA-N	00100010000010101000010000000000000000000000000000000000	22-01-163010
COC1=NC(=C(C=C1CNC(=O)[C@@H]2[C@@H]3C[C@@H]3CN2)F)OC4CCC(CC4)C(F)(F)F	PC-id_153679255	431.183	VWDALTRZOSADTK-ZNHUGNCHSA-N	00100010000010101000010000000000000000000000000000000000	22-01-163011
COC1=NC(=C(C=C1CNC(=O)[C@@H]2[C@H]3C[C@H]3CN2)F)OC4CCC(CC4)C(F)(F)F	PC-id_153679256	431.183	VWDALTRZOSADTK-SLLXDNSHSA-N	00100010000010101000010000000000000000000000000000000000	22-01-163012
C[C@@H](C1=NC=CN1[C@H](CN)C2=NOC(=C2)C3=CC=C(C=C3)C#CC4C5C4CN(C5)C=O)O	PC-id_153592954	431.196	WXIQHFYWYRCGCS-NGTDUDOCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163013
C[C@@H]1[C@H]2[C@@H]1C(=C(C(=O)O)N)C(=NCCC3(CCN(CC3)C4=C(C(=CC=C4)Cl)C)O)C2	PC-id_153565352	431.198	YQVDZRWSPSKQCZ-FRIZHTMISA-N	00100010000010110000110000000000000000000000000000000000	22-01-163014
CC1=C(C([C@@H]2C[C@@H]2C1=C)P(c1ccccc1)c1ccccc1)C(=C)OCC(C(C)C)N	PC-id_163984019	431.238	TUSMNXVMCXPUQP-HXCRSKGRSA-N	00100000000011110000010000000000000000000000000000000000	22-01-163015
C1COCCC1C(C2=CC=CC=C2)N3C[C@@H]4[C@H](C3)C4CCNC(=O)/C=C/C5=CN=CC=C5	PC-id_153559925	431.257	ABYALIJTRTVPPN-WYEVOXRUSA-N	00100010000010111000010000000000000000000000000000000000	22-01-163016
CN1CCN(CC1)CC(c1cc(c(cc1)OCc1ccccc1)C#N)C12CCCCC1O2	PC-id_164114531	431.257	XZXYGHFMKQEUQS-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-163017
CCCCCCCCOC1CC2C(C2(C(=O)C1C)NOC3=CC=CC=C3C(=O)O)(C)C	PC-id_149715878	431.267	AWCVDHVGIYLABQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163018
C1C2C1(CN(C2)C(=O)/C=C\n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N	SCHEMBL20724227,PC-id_137482105	431.335	XKDJKWTZKVICMF-UPHRSURJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163019
C1C2C(C2NC(=O)C=Cn2cnc(n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CN1	PC-id_89401849,SCHEMBL18035042	431.335	SSPDVQMNRJMUKF-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163020
FC(F)(F)c1cc(c2nn(C=CC(=O)N3CC4C(C4N)C3)cn2)cc(c1)C(F)(F)F	PC-id_71494739,SCHEMBL18035058	431.335	CZGCBDKENVMODF-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163021
NC1C2C1CN(C2)C(=O)/C=C/n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_122504713	431.335	CZGCBDKENVMODF-OWOJBTEDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163022
NC1C2C1CN(C2)C(=O)/C=C\n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL14684209	431.335	CZGCBDKENVMODF-UPHRSURJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163023
O=C(NC1C2C1CNC2)/C=C\n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL14684212	431.335	SSPDVQMNRJMUKF-UPHRSURJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163024
C1C2C(=C2Nc2nc(nc(n2)Nc2cc(ncc2)F)c2nc(ccc2)C(F)(F)F)CO1	SCHEMBL20017991,PC-id_134388063	431.346	MDIVYDFHLUJSBS-UHFFFAOYSA-N	00110010000000101001110000000000000000000000000000000000	22-01-163025
C12(CCCCC1C2C(=O)NN=Cc1ccc(cc1)OCc1ccc(cc1Cl)Cl)C	MCULE-2048953582,PC-id_3113329	431.355	CJEOMUGDAHZTAV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163026
C12(CCCCC1C2C(=O)NN=Cc1ccccc1OCc1ccc(cc1Cl)Cl)C	MCULE-5888921136,PC-id_71950625	431.355	SVEQCENMDYZVBX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163027
CC12CCCCC1C2C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	PC-id_16486477,EMOLS-id_46446662	431.355	SVEQCENMDYZVBX-LGJNPRDNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163028
CC12CCCCC1C2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	PC-id_9593205,EMOLS-id_1077252,BAS-00622540	431.355	CJEOMUGDAHZTAV-LGJNPRDNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163029
Clc1ccc(c(c1)Cl)COc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_105138	431.355	CJEOMUGDAHZTAV-WAVLZSIDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163030
Clc1ccc(c(c1)Cl)COc1ccc(cc1)/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_105139	431.355	CJEOMUGDAHZTAV-OKPUGRBLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163031
Clc1ccc(c(c1)Cl)COc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_105140	431.355	CJEOMUGDAHZTAV-VDQSNYGXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163032
Clc1ccc(c(c1)Cl)COc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_105141	431.355	CJEOMUGDAHZTAV-UANOFGPBSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163033
Clc1ccc(c(c1)Cl)COc1ccc(cc1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_105142	431.355	CJEOMUGDAHZTAV-WIIRJQBJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163034
Clc1ccc(c(c1)Cl)COc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_105143	431.355	CJEOMUGDAHZTAV-AOEABXPGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163035
Clc1ccc(c(c1)Cl)COc1ccc(cc1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_105144	431.355	CJEOMUGDAHZTAV-SFDFSKLXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163036
Clc1ccc(c(c1)Cl)COc1ccc(cc1)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_105145	431.355	CJEOMUGDAHZTAV-FTZQKCFRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163037
Clc1ccc(c(c1)Cl)COc1ccccc1/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560527	431.355	SVEQCENMDYZVBX-ANQWCTRZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163038
Clc1ccc(c(c1)Cl)COc1ccccc1/C=NNC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560528	431.355	SVEQCENMDYZVBX-CACUYEBVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163039
Clc1ccc(c(c1)Cl)COc1ccccc1/C=N/NC(=O)[C@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560529	431.355	SVEQCENMDYZVBX-RISTVWDVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163040
Clc1ccc(c(c1)Cl)COc1ccccc1/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_6560530	431.355	SVEQCENMDYZVBX-FKEPVLMCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163041
Clc1ccc(c(c1)Cl)COc1ccccc1/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560531	431.355	SVEQCENMDYZVBX-IQNNHLSWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163042
Clc1ccc(c(c1)Cl)COc1ccccc1/C=N/NC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560532	431.355	SVEQCENMDYZVBX-BASJRXCESA-N	00100000000010110000010000000000000000000000000000000000	22-01-163043
Clc1ccc(c(c1)Cl)COc1ccccc1/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560533	431.355	SVEQCENMDYZVBX-BIIWZMOKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163044
Clc1ccc(c(c1)Cl)COc1ccccc1/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_6560534	431.355	SVEQCENMDYZVBX-CABXHZJKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163045
Clc1ccc(c(c1)Cl)COc1ccc(cc1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98068754	431.355	CJEOMUGDAHZTAV-ZAFJEFGPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163046
Clc1ccc(c(c1)Cl)COc1ccc(cc1)/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98068756	431.355	CJEOMUGDAHZTAV-ACTVNIGUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163047
Clc1ccc(c(c1)Cl)COc1ccccc1/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98078691	431.355	SVEQCENMDYZVBX-ZKLHQZPTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163048
Clc1ccc(c(c1)Cl)COc1ccccc1/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98078692	431.355	SVEQCENMDYZVBX-NRDXXNKCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163049
Clc1ccc(c(c1)Cl)COc1ccc(cc1)/C=N/NC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98321274	431.355	CJEOMUGDAHZTAV-HCMJPPQXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163050
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CCCC(OC1CCC(CC1)C(=O)Oc1ccc(cc1)OC)OCC1CCC2C(C1)O2	PC-id_88957942,SCHEMBL12787243	432.55	JOXLPWUTFIYFQJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163284
C/C=C(C(=O)OC(C(=C)[C@H]1C[C@H]2O[C@]2([C@H]([C@H]1O)OC(=O)/C(=CC)/C)C)CC=C(C)C)/C	PC-id_102024973	432.55	QJSDHZNUXFNUIW-PWMIIJJJSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163285
C/C=C(C(=O)OC(C(=C)[C@@H]1C[C@H](OC(=O)/C(=CC)/C)[C@]2([C@@H](C1)O2)C)CC1OC1(C)C)/C	PC-id_102258981	432.55	MSMPKKFVDXLLMD-JKYHNDEVSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163286
C/C=C(C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2C[C@@H]1C(=C)[C@H](C[C@H]1OC1(C)C)OC(=O)/C(=CC)/C)/C	UNPD143512	432.55	RYCPLJPOJZTHII-GTTFQKNCSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163287
CC=C(C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2C[C@@H]1C(=C)[C@H](C[C@H]1OC1(C)C)OC(=O)C(=CC)C)C	UNPD214049	432.55	RYCPLJPOJZTHII-FEKYDKKZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163288
CC(=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(O)(C)C)C/C=C(/CC[C@H]2[C@@]1(C)O2)C(=O)O)C	NP_Vibsanin_T	432.55	XDIQXYAYOHAXSB-UCBAGIPXSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163289
C/C=C(C(=O)O[C@@H]([C@@]1(C)[C@@H](O)CC[C@@H]2[C@@]1(C)O2)C[C@H]([C@@H]1CO[C@@H](C1)c1cocc1)C)/C	PC-id_101589286	432.55	RDLHWBYUGUGOPR-ORSIFYLHSA-N	00100010101010000000110000000000000000000000000000000000	22-01-163290
COc1ccc(cc1)OC(=O)C1CCC(CC1)OCCCCOCC1CCC2C(C1)O2	SCHEMBL12730744,PC-id_58220369	432.55	ZJOPNMLANPSMCT-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163291
O1[C@@]2([C@H]1C[C@@H]([C@H](OC(=O)C(=CC)C)C2)C(=C)C(OC(=O)C(=CC)C)CC1OC1(C)C)C	PC-id_11575639	432.55	RYCPLJPOJZTHII-UTMJSPKUSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163292
O1[C@@]2([C@@H]1[C@H](O)C(=O)C(=CC[C@@](/C=C/[C@H]2OC(=O)C=C(C)C)(CCC=C(C)C)C)CO)C	PC-id_10812643	432.55	ZQWMKRARJFFPQR-QRIMJUAOSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163293
O1[C@@]2([C@H]1[C@H](O)C(=O)C(=CC[C@@](/C=C/[C@H]2OC(=O)C=C(C)C)(CCC=C(C)C)C)CO)C	PC-id_23228489	432.55	ZQWMKRARJFFPQR-SKQQRHDRSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163294
OC/C/1=C/C[C@](C)(CCC=C(C)C)/C=C[C@H]([C@]2([C@@H]([C@@H](C1=O)O)O2)C)OC(=O)C=C(C)C	PC-id_102010728	432.55	ZQWMKRARJFFPQR-VAHZWVLRSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163295
OC/C/1=C/C[C@](C)(CCC=C(C)C)/C=C/[C@H]([C@@]2([C@H]([C@@H](C1=O)O)O2)C)OC(=O)C=C(C)C	UNPD59318	432.55	ZQWMKRARJFFPQR-XPDOKHKQSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163296
OC/C/1=C/C[C@](C)(CCC=C(C)C)/C=C/[C@H]([C@]2([C@H]([C@@H](C1=O)O)O2)C)OC(=O)C=C(C)C	Vibsanin_L,UNPD25807	432.55	ZQWMKRARJFFPQR-AUJRIMOZSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163297
O=C(OC1/C=CC(C)(C/C=C/C(O)(C)C)C/C=C(/C(=O)O)CCC2OC12C)C=C(C)C	CNP0088220	432.55	XDIQXYAYOHAXSB-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163298
O=C(OC1/C=CC(C)(C/C=C(C(=O)C(O)C2OC12C)/CO)CCC=C(C)C)C=C(C)C	CNP0163063,PC-id_74020903	432.55	ZQWMKRARJFFPQR-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163299
O=C(OC(C(=C)C1CC2OC2(C)CC1OC(=O)C(=CC)C)CC1OC1(C)C)C(=CC)C	PC-id_73016667,CNP0257789	432.55	RYCPLJPOJZTHII-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163300
CCCC/C=C/1CC([C@@H]2[C@]1(C2)C)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	PC-id_134949975	432.551	HGKZWJFUACISJU-AVHRUSQKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163301
COC(=O)C(=O)C(NC(=O)[C@H]1N(CC2C1C2(C)C)C(=O)CC1CCCCC1)CC1CC1	SCHEMBL10175314,PC-id_68053512	432.553	BCMSLDZNMLCDGX-CSPVLLTOSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163302
COC(=O)C(=O)C(NC(=O)[C@H]1N(CC2[C@@H]1C2(C)C)C(=O)CC1CCCCC1)CC1CC1	SCHEMBL10141062,PC-id_58606287	432.553	BCMSLDZNMLCDGX-WXDAQCLHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163303
COC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)CC1CCCCC1)CC1CC1	SCHEMBL12605767,PC-id_58909046	432.553	BCMSLDZNMLCDGX-LYKJFQGKSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163304
O=C1CCC(C)C(=O)C[C@@H](O)[C@@H](C)CCCC2C(CC(O1)/C(=C/c1ccn(n1)C)/C)O2	PC-id_143471533	432.553	DZXYRXQOLWNYBC-UQPJUATJSA-N	00100000100000000101010000000000000000000000000000000000	22-01-163305
O=C(NC(CC1CC1)C(=O)C(=O)OC)C1N(CC2C1C2(C)C)C(=O)CC1CCCCC1	PC-id_21016933	432.553	BCMSLDZNMLCDGX-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163306
C1(C2C1CCCC2)C(=O)N1CCCC1(Cc1cccc(c2ccccc2OC)c1)C(=O)N	EMOLS-id_316252541,LAS-23055162,MCULE-2613307426	432.555	KJUZOVJDJIPSDR-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-163307
COc1ccccc1c1cccc(C[C@]2(C(=O)N)CCCN2C(=O)C2[C@H]3CCCC[C@H]23)c1	ZINC22_2037834491	432.555	KJUZOVJDJIPSDR-BERHBOFZSA-N	00100010000010110000110000000000000000000000000000000000	22-01-163308
COc1ccccc1c1cccc(C[C@]2(C(=O)N)CCCN2C(=O)C2[C@@H]3CCCC[C@@H]23)c1	ZINC22_2037834492	432.555	KJUZOVJDJIPSDR-LOYIFYEOSA-N	00100010000010110000110000000000000000000000000000000000	22-01-163309
COc1ccccc1c1cccc(C[C@]2(C(=O)N)CCCN2C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c1	ZINC22_2037834493	432.555	KJUZOVJDJIPSDR-RAARWZODSA-N	00100010000010110000110000000000000000000000000000000000	22-01-163310
COc1ccccc1c1cccc(C[C@@]2(C(=O)N)CCCN2C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)c1	ZINC22_2037834494	432.555	KJUZOVJDJIPSDR-SMAWTLEESA-N	00100010000010110000110000000000000000000000000000000000	22-01-163311
O=C(C(N1CC2[C@H](C1)[C@H]2NC(=O)C(c1ccccc1)(C1CCCC1)O)C)c1ccccc1	SCHEMBL5947917	432.555	XZOSVMPKJCZRAL-DLJIYXTASA-N	00100010000000110000010000000000000000000000000000000000	22-01-163312
O=C(N1CC2C(C2CNC(=O)C(O)(C2CCCC2)c2ccccc2)C1)Cc1ccccc1	PC-id_11697736	432.555	QBJPKDWGZOQVCL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163313
O=C(N1CC2[C@H](C1)[C@H]2CNC(=O)C(c1ccccc1)(C1CCCC1)O)Cc1ccccc1	SCHEMBL4470980	432.555	QBJPKDWGZOQVCL-OYIQYMQASA-N	00100010000000110000010000000000000000000000000000000000	22-01-163314
O=C(N1CC2[C@@H](C2CNC(=O)C(O)(C2CCCC2)c2ccccc2)C1)Cc1ccccc1	PC-id_69055951	432.555	QBJPKDWGZOQVCL-KACNVIOASA-N	00100010000000110000010000000000000000000000000000000000	22-01-163315
O=C(NC1C2C1CN(C2)C(C)C(=O)c1ccccc1)C(O)(C1CCCC1)c1ccccc1	PC-id_77686169	432.555	XZOSVMPKJCZRAL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163316
O=C(NC1C2[C@@H]1CN(C2)C(C)C(=O)c1ccccc1)C(O)(C1CCCC1)c1ccccc1	PC-id_69617209	432.555	XZOSVMPKJCZRAL-DABHIWNBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163317
O=C(NC1[C@@H]2[C@H]1CN(C2)C(C)C(=O)c1ccccc1)C(O)(C1CCCC1)c1ccccc1	PC-id_10342780	432.555	XZOSVMPKJCZRAL-HSZHNZKPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163318
N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CC1)C2(C)C)C1CCCCC1	PC-id_70317711,SCHEMBL8246501	432.556	RXIHZAUDUBMTBX-JBGVAKJSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163319
O=C(NC(CC1CC1)C(=O)C(=O)N)C1N(CC2C1C2(C)C)C(=O)C(N)C1CCCCC1	PC-id_77820468	432.556	RXIHZAUDUBMTBX-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163320
CCC(=O)N(C1=C2N1N2Cc1ccc(cc1)OC)C1CCN(CC1)CCc1ccccc1	SCHEMBL19501621	432.558	VKFYUTNSRUNZFX-UHFFFAOYSA-N	00110000000010110001010000000000000000000000000000000000	22-01-163321
S(C1c2sc(nc12)N=C(N)N)CCNC1NCC(Cc2ccc(nc2)C)C(=O)N1	PC-id_76066072	432.566	YWQMPSVINMKONW-UHFFFAOYSA-N	00100000100010101001010000000000000000000000000000000000	22-01-163322
Cc1ccc(cc1)C(c1cccs1)(C(=O)NCC1C2C1CN(C2)Cc1ccccc1)O	SCHEMBL4618103,PC-id_16038863	432.578	VXIVOFOYLSEENJ-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-163323
CN([C@]12C[C@H]1CN([C@H]2Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1	PC-id_101789712	432.578	AOOIDZPSUFRIKW-AYRHNUGRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163324
CN(C(=O)C(c1ccccc1)(c1ccccc1)O)CC1C2C1CN(C2)Cc1cccs1	SCHEMBL4887682,PC-id_16039170	432.578	QKNJXXPRALKUIJ-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-163325
CN(C(=O)C(c1cccs1)(c1ccccc1)O)CC1C2C1CN(C2)Cc1ccccc1	SCHEMBL4620168,PC-id_16038791	432.578	IKTCENJJPVPKJV-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-163326
CN(C(=O)C(c1ccsc1)(c1ccccc1)O)CC1C2C1CN(C2)Cc1ccccc1	SCHEMBL4619338,PC-id_16038789	432.578	SHMQDZZBJHBBDT-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-163327
CC(C(=O)N1C[C@@H]2[C@H](C1)C2CNc1scc(n1)c1ccccn1)C(c1ccccc1)C	BindingDB_PC-id_49862288,PC-id_49862288	432.581	OUPJDRWMKZYPFB-JLYWGDQYSA-N	00100010100000111001110000000000000000000000000000000000	22-01-163328
n1c(csc1NC[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)C(C(C)c1ccccc1)C)c1ncccc1	CHEMBL1209215	432.581	OUPJDRWMKZYPFB-ROSQCRCOSA-N	00100010100000111001110000000000000000000000000000000000	22-01-163329
s1c(NCC2C3C2CN(C3)C(=O)C(C(C)c2ccccc2)C)nc(c1)c1ncccc1	PC-id_75308720	432.581	OUPJDRWMKZYPFB-UHFFFAOYSA-N	00100010100000111001110000000000000000000000000000000000	22-01-163330
C1CCC2(C(C1)O2)CC[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1	PC-id_140088971	432.584	XCUKBUKMIJUDJR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163331
c1ccc(cc1)O[SiH](Oc1ccccc1CCC1CCC2C(C1)O2)Oc1ccccc1	SCHEMBL10876798	432.584	LDGPDMCLBQBASU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163332
c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)CCC1CCC2C(C1)O2	PC-id_21922153,SCHEMBL767181	432.584	ORDZXCQDZLMHAM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163333
CC(C1CCC2C(C1)O2)[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1	SCHEMBL6669151,PC-id_88024885	432.584	RUIAEHIUIIUMHG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163334
CCCCCC(CC[C@]12[C@@H](CCCCCCC(=O)OCC)[C@H](C[C@H]1C2(F)F)O)(O)C	PC-id_68120122,SCHEMBL11728605	432.585	NZTVEDVPILAANL-WCBGVSNOSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163335
FC1(F)C2(C1CCC2CCCCCC(O)(O)C(=O)OCCC)CCCCCCCC	PC-id_76499363	432.585	KLNVJYIGSRAWFI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163336
FC1(F)C2(C1CC(O)C2CCCCCCC(=O)OCC)CCC(O)(CCCCC)C	PC-id_77413192	432.585	NZTVEDVPILAANL-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163337
FC1(F)[C@@]2([C@H]1CC[C@@H]2CCCCCC(O)(O)C(=O)OCCC)CCCCCCCC	PC-id_57251280	432.585	KLNVJYIGSRAWFI-VWPQPMDRSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163338
CCCCc1cc(CCC(=O)OCC(C2OCC3([C@@](CO2)(C3)C)C)(C)C)cc(c1O)C	SCHEMBL18346648	432.593	PWSHGDKTTQVJII-CNWYCCFASA-N	00100000000000110101010000000000000000000000000000000000	22-01-163339
COC(/C=C/C[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@]2(C)O[C@H]2CC/C(=C/C1)/CO)(C)C	NP_Vibsanin_Q	432.593	TVVRWBNLBVCRPH-OZBYXMCFSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163340
COC(/C=C/C[C@@]1(C)/C=C[C@@H](OC(=O)C=C(C)C)[C@]2(C)O[C@H]2CC/C(=CC1)/CO)(C)C	PC-id_101345480	432.593	TVVRWBNLBVCRPH-AVZWWIRWSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163341
COC(/C=C/C[C@@]1(C)/C=C/[C@H](OC(=O)C=C(C)C)[C@@]2(C)O[C@@H]2CC/C(=CC1)/CO)(C)C	UNPD122147	432.593	TVVRWBNLBVCRPH-LNTNEGGOSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163342
COC(C)(C)/C=C/C[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@]2(C)O[C@H]2CC/C(=CC1)/CO	CHEMBL470762,UNPD61972	432.593	TVVRWBNLBVCRPH-XYBUGXQZSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163343
O1[C@@]2([C@@H]1CCC(=CC[C@@](/C=C/[C@H]2OC(=O)C=C(C)C)(C/C=C/C(OC)(C)C)C)CO)C	PC-id_11154724	432.593	TVVRWBNLBVCRPH-PFNMLLGPSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163344
O1[C@@]2([C@H]1CCC(=CC[C@@](/C=C/[C@H]2OC(=O)C=C(C)C)(C/C=C/C(OC)(C)C)C)CO)C	PC-id_21576442	432.593	TVVRWBNLBVCRPH-AXYJLQIRSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163345
O=C(OC1/C=CC(C)(C/C=C/C(OC)(C)C)C/C=C(/CO)CCC2OC12C)C=C(C)C	PC-id_73802608,CNP0355791	432.593	TVVRWBNLBVCRPH-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163346
O=C(OCC(C1OCC2(C(CO1)(C2)C)C)(C)C)CCc1cc(C)c(c(c1)C(C)(C)C)O	PC-id_122608618,SCHEMBL18136574	432.593	YEQZVTSFUNNYSQ-UHFFFAOYSA-N	00100000000000110101010000000000000000000000000000000000	22-01-163347
CCCC(C(=O)C(=O)C)NC(=O)[C@H]1N(CC2C1C2(C)C)C(=O)[C@H](C1(C)CCCCC1)C	PC-id_143359761	432.596	HTQOUOHFLOATQH-XGUPEUPTSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163348
Cc1ccc(cc1)CN1CC2C(C1)C2CNC(=O)[C@@](c1ccccc1)(C1CCCCC1)O	SCHEMBL5105577,PC-id_69313189	432.598	ULWPEXDAOPCLEJ-WFQGRYOISA-N	00100010000010110000010000000000000000000000000000000000	22-01-163349
Cc1ccc(cc1)CN1CC2[C@H](C1)[C@H]2CNC(=O)[C@@](c1ccccc1)(C1CCCCC1)O	SCHEMBL4131165	432.598	ULWPEXDAOPCLEJ-GKWHZEHGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163350
Cc1cc(C)c(c(c1)C)CN1CC2C(C1)C2NC(=O)C(c1ccccc1)(C1CCCC1)O	PC-id_68904289,SCHEMBL4080432	432.598	FWBXLSCWBBPSNK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163351
Cc1cc(C)c(c(c1)C)CN1CC2[C@H](C1)[C@H]2NC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4080437	432.598	FWBXLSCWBBPSNK-GNWIDRBYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163352
Cc1ccc(CCN2C[C@H]3[C@H](NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1C	CHEMBL401154	432.598	CXHDLSIBBCDCEP-MIGYSTJESA-N	00100010000000110000010000000000000000000000000000000000	22-01-163353
CC1N(Cc2ccccc2)CC2C1C2CNC(=O)C(c1ccccc1)(C1CCCCC1)O	SCHEMBL4619954,PC-id_16039327	432.598	SZIKFMXXUBCLHC-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163354
CC(c1ccccc1)N1CC2[C@H](C1)[C@H]2NC(=O)C(c1ccccc1)(C1CCCCCC1)O	SCHEMBL5948687	432.598	LRNJBUPZDCHNPN-UUTHZQLISA-N	00100010000000110100010000000000000000000000000000000000	22-01-163355
CC(c1ccccc1)N1C[C@@H]2[C@H](C1)C2NC(=O)C(c1ccccc1)(C1CCCCCC1)O	BindingDB_PC-id_44443730,PC-id_44443730	432.598	LRNJBUPZDCHNPN-ZGLGCNEOSA-N	00100010000000110100010000000000000000000000000000000000	22-01-163356
CC(c1ccccc1)N1C[C@H]2[C@H](NC(=O)C(O)(c3ccccc3)C3CCCCCC3)[C@H]2C1	CHEMBL248811	432.598	LRNJBUPZDCHNPN-OWVIBTQUSA-N	00100010000000110100010000000000000000000000000000000000	22-01-163357
CCN(C(=O)[C@@](c1ccccc1)(C1CCCC1)O)CC1C2C1CN(C2)Cc1ccccc1	SCHEMBL5099182,PC-id_69310700	432.598	KPFOEXJMFMJCAX-WFQGRYOISA-N	00100010000000110000010000000000000000000000000000000000	22-01-163358
CCN(C(=O)[C@@](c1ccccc1)(C1CCCC1)O)C[C@@H]1[C@@H]2C1CN(C2)Cc1ccccc1	SCHEMBL4142742	432.598	KPFOEXJMFMJCAX-YUMZAWBHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163359
CCN(C(=O)C(c1ccccc1)(C1CCCCC1)O)C1C2C1CN(C2)Cc1ccccc1	PC-id_16039547,SCHEMBL4883527	432.598	OJPWHSUZGZHDCY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163360
CN(C(c1ccccc1)(C(=O)CC1CCCC1)O)CC1C2C1CN(C2)Cc1ccccc1	PC-id_69368253,SCHEMBL5242919	432.598	CDHGLBUMWKJPJC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163361
CN(CC(=O)C(c1ccccc1)(C1CCCC1)O)CC1C2C1CN(C2)Cc1ccccc1	PC-id_69229762,SCHEMBL4887681	432.598	RGMZZNGSVRULSQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163362
CN(C(=O)C(c1ccccc1)(C1CCCCC1)O)CC1C2C1CN(C2)Cc1ccccc1	PC-id_16039479,SCHEMBL4619567	432.598	QYZOWSIWXOBPII-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163363
O=C(c1ccc(cc1)C(C)(C)C)N1CC2C(C1)C2CNc1ccc(cc1)C1CCOCC1	PC-id_69034459,SCHEMBL4414858	432.598	RBVKBQHXBYJRJI-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-163364
O=C(C(c1ccccc1)(C1CCCC1)O)NC1C2C1CN(C2)C(c1ccc(c(c1)C)C)C	PC-id_68902659,SCHEMBL4076230	432.598	IYXWOOANRFEGOK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163365
O=C(C(c1ccccc1)(C1CCCC1)O)NC1[C@@H]2[C@H]1CN(C2)CCc1ccc(c(c1)C)C	PC-id_10365534,BindingDB_PC-id_10365534	432.598	CXHDLSIBBCDCEP-QNBWZUNJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163366
O=C(C(c1ccccc1)(C1CCCC1)O)N[C@@H]1[C@@H]2C1CN(C2)C(c1ccc(c(c1)C)C)C	SCHEMBL4076234	432.598	IYXWOOANRFEGOK-UUTHZQLISA-N	00100010000000110000010000000000000000000000000000000000	22-01-163367
O=C(C(c1ccccc1)(C1CCCCC1)O)NCC1C2C1CN(C2)CCc1ccccc1	PC-id_16039483,SCHEMBL4878826	432.598	GCRSEEFMORLQAQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163368
O=C(C(c1ccccc1)(C1CCCCCC1)O)NCC1C2C1CN(C2)Cc1ccccc1	SCHEMBL4620081,PC-id_16039410	432.598	XHQGRFMJRZFRNJ-UHFFFAOYSA-N	00100010000000110100010000000000000000000000000000000000	22-01-163369
O=C(C(c1ccccc1)(CC1CCCCC1)O)NCC1C2C1CN(C2)Cc1ccccc1	SCHEMBL4618153,PC-id_16039545	432.598	WNBVOHDYTWVIGY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163370
O=C(CC(N)C1C2C1CN(C2)Cc1ccccc1)C(O)(C1CCCCC1)c1ccccc1	PC-id_73309148	432.598	XDHMIXZPYLBFKN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163371
O=C(CC(N)C1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)C(O)(C1CCCCC1)c1ccccc1	PC-id_16717922	432.598	XDHMIXZPYLBFKN-XYWDTDIGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163372
O=C(NC1C2C1CN(C2)Cc1ccccc1)C(O)(C1CCCCCCC1)c1ccccc1	PC-id_10432967	432.598	WOHFPAGRCKFGAR-UHFFFAOYSA-N	00100010000000110100010000000000000000000000000000000000	22-01-163373
O=C(NC1C2C1CN(C2)CCc1cc(c(cc1)C)C)C(O)(C1CCCC1)c1ccccc1	PC-id_85122485	432.598	CXHDLSIBBCDCEP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163374
O=C(NC1C2C1CN(C2)C(C)c1ccccc1)C(O)(C1CCCCCC1)c1ccccc1	PC-id_77686207	432.598	LRNJBUPZDCHNPN-UHFFFAOYSA-N	00100010000000110100010000000000000000000000000000000000	22-01-163375
O=C(NC1C2[C@@H]1CN(C2)Cc1c(cc(cc1C)C)C)C(O)(C1CCCC1)c1ccccc1	PC-id_68904291	432.598	FWBXLSCWBBPSNK-RFVKBHEBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163376
O=C(NC1C2[C@@H]1CN(C2)C(C)c1cc(c(cc1)C)C)C(O)(C1CCCC1)c1ccccc1	PC-id_68902660	432.598	IYXWOOANRFEGOK-RLVHQICTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163377
O=C(NC1C2[C@@H]1CN(C2)C(C)c1ccccc1)C(O)(C1CCCCCC1)c1ccccc1	PC-id_69617431	432.598	LRNJBUPZDCHNPN-RLVHQICTSA-N	00100010000000110100010000000000000000000000000000000000	22-01-163378
O=C(NC1[C@@H]2[C@H]1CN(C2)Cc1c(cc(cc1C)C)C)C(O)(C1CCCC1)c1ccccc1	PC-id_10071487	432.598	FWBXLSCWBBPSNK-QNBWZUNJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163379
O=C(N(CC1C2C1CN(C2)Cc1ccccc1)CC)C(O)(C1CCCC1)c1ccccc1	PC-id_77574338	432.598	KPFOEXJMFMJCAX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163380
O=C(NC(C1C2C1CN(C2)Cc1ccccc1)C)C(O)(C1CCCCC1)c1ccccc1	PC-id_10048456	432.598	TVHJCFIXUQNZIJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163381
O=C(NCC1C2C1CN(C2)Cc1ccc(cc1)C)C(O)(C1CCCCC1)c1ccccc1	PC-id_11201313	432.598	ULWPEXDAOPCLEJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163382
O=C(NCC1C2C1CN(C2)C(C)c1ccccc1)C(O)(C1CCCCC1)c1ccccc1	PC-id_10477943	432.598	HTHURKOPFKXOET-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163383
O=C(N(CC1C2[C@@H]1CN(C2)Cc1ccccc1)CC)[C@](O)(C1CCCC1)c1ccccc1	PC-id_68929479	432.598	KPFOEXJMFMJCAX-IOEMIWOTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163384
O=C(NCC1C2[C@@H]1CN(C2)Cc1ccc(cc1)C)[C@](O)(C1CCCCC1)c1ccccc1	PC-id_68924731	432.598	ULWPEXDAOPCLEJ-ZCUQVLTFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163385
CC(N(c1ccccc1)c1ccc(cc1)N(c1ccc2c(c1)C2(C)C)c1ccccc1)(C)C	SCHEMBL18799166	432.599	YQSBJRDCLLNFAF-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-163386
O=C(c1ccc(cc1)C(C)(C)C)N1CC2C(C1)C2CNc1ccc(nc1)N1CCCCC1	PC-id_69034817,SCHEMBL4415691	432.601	MUJJPOYHYCZGCT-UHFFFAOYSA-N	00100010000010111000110000000000000000000000000000000000	22-01-163387
CCC12CC(OC(=O)CCCC(=O)CCCCCCC1N2)C(=Cc1csc(n1)C)C	PC-id_142781196	432.619	DTQDVQIYSJTJOB-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-163388
O=C(C1CCCC2(CC2CCCCCC1)S(=O)(=O)N1CCCC1)Nc1ccccc1	SCHEMBL18557277	432.619	QVAQABPTNZVOBZ-UHFFFAOYSA-N	00100010000000110100010000000000000000000000000000000000	22-01-163389
O=C[C@H]1OC(=O)CCC(=C)C(=C)CC(=C)[C@@H]([C@@H]2[C@@H](C(=C)C1)O2)O[Si](C(C)(C)C)(C)C	PC-id_102325940	432.625	PETGPLNKDHONBP-MALNDZBISA-N	00100000000000000100010000000000000000000000000000000000	22-01-163390
[Si](OC1C2OC2C(=C)CC(OC(=O)CCC(=C)C(=C)CC1=C)C=O)(C(C)(C)C)(C)C	PC-id_74831050	432.625	PETGPLNKDHONBP-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-163391
[Si](O[C@H]1[C@@H]2O[C@H]2C(=C)C[C@@H](OC(=O)CCC(=C)C(=C)CC1=C)C=O)(C(C)(C)C)(C)C	PC-id_42631985	432.625	PETGPLNKDHONBP-CWKRKGSWSA-N	00100000000000000100010000000000000000000000000000000000	22-01-163392
[Si](OCC1CC2OC2C(=O)CCC(C(C)C)C=C1)C(c1ccccc1)c1ccccc1	PC-id_57157268	432.627	WUKICWSYEFKPQN-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-163393
O1C(CC2C(C2(C)C)(CCCC(C(O)C(C(=O)C(/C=C/C1=O)(C)C)C)C)C)/C(=C/C)/C	PC-id_59886563	432.636	QPDUHGNIFZCFRI-SUUMBMQUSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163394
O1C(CC2C(C2(C)C)(CCCC(C(O)C(C(=O)C(C=CC1=O)(C)C)C)C)C)C(=CC)C	PC-id_72587840	432.636	QPDUHGNIFZCFRI-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163395
CCC(Cc1ccc(cc1)C(c1ccc(cc1)CC1CCC2C(C1)O2)(C)C)CC1OC1C	PC-id_89276612,SCHEMBL14218437	432.637	KYQZDQBSZYQYDY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163396
O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C12OC1(C)CCCC2(C)C)C)C)/C)/C	PC-id_101001298	432.637	KKEIOUNPVBYRKZ-XQBXRYPSSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163397
[Si](OC[C@@H]1[C@H](OCc2ccc(OC)cc2)[C@@]2(O[C@@H]2C[C@H]1C(=C)C)C)(C(C)(C)C)(C)C	PC-id_16121243	432.668	OGISFDJOSYQYSK-LYVDORBWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163398
[Si](OC[C@H]1[C@@H](OCc2ccc(OC)cc2)[C@]2(O[C@H]2C[C@@H]1C(=C)C)C)(C(C)(C)C)(C)C	PC-id_16121350	432.668	OGISFDJOSYQYSK-ABMICEGHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163399
O=C(NC12CN(CC1(C2)CO[Si](C(C)(C)C)(C)C)Cc1ccccc1)OC(C)(C)C	PC-id_140703872	432.671	CKLSBGJIGVUSPY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163400
[Si](OCCOC)C([Si]OCCOC)(C1CC2OC2CC1)C[Si]OCCOC	PC-id_57069380	432.688	VQAVJGWTEOJGGE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163401
[Si](OC1C2OC2(CC(O[Si](C(C)(C)C)(C)C)C1O)C(=O)OC)(C(C)(C)C)(C)C	PC-id_85446661	432.699	PECNSOBLNIWQKA-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163402
[Si](O[C@@H]1[C@@H]2O[C@@]2(C[C@@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)C(=O)OC)(C(C)(C)C)(C)C	PC-id_15720343	432.699	PECNSOBLNIWQKA-TYNWYWJLSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163403
[Si](O[C@@H]1[C@H]2O[C@]2(C[C@@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)C(=O)OC)(C(C)(C)C)(C)C	PC-id_15720344	432.699	PECNSOBLNIWQKA-QVTQBDIJSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163404
Fc1c(c2c(NC(=O)OCC34C(C3)CN(C4)Cc3ccccc3)cccc2)ccc(F)c1	PC-id_15983633	434.478	UMDYZZFQMILWGS-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-163629
[Si](OC1(C(=O)C(CC(=C)C2CC3OC3(CC2)C)C(CC1)C(=C)C)C)(C(C)(C)C)(C)C	PC-id_75245656	432.711	KEYGLUOIDUEWDG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163405
[Si](O[C@@]1(C(=O)[C@@H](CC(=C)[C@@H]2C[C@@H]3O[C@@]3(CC2)C)[C@@H](CC1)C(=C)C)C)(C(C)(C)C)(C)C	PC-id_46944491	432.711	KEYGLUOIDUEWDG-DFRZRTAASA-N	00100000000010000000010000000000000000000000000000000000	22-01-163406
CC1(C(C(C2(C(C1(C)C)(O2)C)C)(C)C)CC1C(C(C2(C(C1(C)C)(O2)C)C)(C)C)(C)C)C	PC-id_90128235,SCHEMBL15681417	432.722	OXPGRBWYGFNZSF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163407
CC(C1CC(CC2CC(C3C(C2)(O3)C(C)(C)C)C(C)(C)C)CC2(C1O2)C(C)(C)C)(C)C	PC-id_59720734,SCHEMBL14183442	432.722	ASNWJFDVWMRCAO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163408
CCOC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]([C@@H](CC2)O[Si](C(C)(C)C)(C)C)[Si](c1ccccc1)(C)C	PC-id_101749481	432.744	QFJLLHNSDRNVOM-LXHROKJGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163409
C[Si](c1ccc(cc1)[Si](CCC1CCC2C(C1)O2)(C)C)(CCCOCC1CO1)C	PC-id_58891766,SCHEMBL14484782	432.744	HZDSBYLNKOIAJW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163410
Clc1ccc(cc1)OCC(=O)NC12CC1(C2)NC(=O)COC1CC(C1)C(F)(F)F	PC-id_139517617	432.821	MNIQWLKFQFWJIW-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-163411
Clc1ccc(cc1)OCC(=O)NC12CC1(C2)NC(=O)CO[C@@H]1CC(C1)C(F)(F)F	SCHEMBL21390132	432.821	MNIQWLKFQFWJIW-DQOSVTNUSA-N	00101000000000110000010000000000000000000000000000000000	22-01-163412
O=C([C@@H]1[C@@H]2O[C@@H]2CN1C(=O)OC(C)(C)C)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL18562185	432.872	RTTYXNPFNNPSTR-NZSAHSFTSA-N	00100010000000110000110000000000000000000000000000000000	22-01-163413
CCCCC(C(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)NCc1cc(Cl)ccc1n1cnnn1)C2)O	PC-id_25154147,SCHEMBL4207279	432.904	IZMSXLQYSIOESL-XUDXYMKKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163414
CCCCC(C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NCc1cc(Cl)ccc1n1cnnn1)C2)O	SCHEMBL4199671,PC-id_25154373	432.904	IZMSXLQYSIOESL-FDGRXGLPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163415
CCCCC(C(=O)N1[C@@H](C[C@H]2[C@@H]1C2)C(=O)NCc1cc(Cl)ccc1n1cnnn1)O	SCHEMBL4198606,PC-id_25154181	432.904	ULIQUOVIOLADQU-DSHDYTRZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163416
CCCCC(C(=O)N1[C@@H](C[C@@H]2[C@H]1C2)C(=O)NCc1cc(Cl)ccc1n1cnnn1)O	SCHEMBL4206184,PC-id_25154180	432.904	ULIQUOVIOLADQU-GUPASQGTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163417
CCCC[C@H](C(=O)N1[C@@H](C[C@H]2[C@@H]1C2)C(=O)NCc1cc(Cl)ccc1n1cnnn1)O	PC-id_57541423,SCHEMBL4201039	432.904	ULIQUOVIOLADQU-GYIHYUDTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163418
Clc1ccc(c(c1)CNC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H](C(C)(C)C)O)n1cnnn1	SCHEMBL4203359,PC-id_25154696	432.904	PNBGKQWVNOLWOV-PSGMQZRDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163419
Clc1cc(CNC(=O)C2N(C3C(C3)C2)C(=O)C(O)C(C)(C)C)c(cc1)c1n[nH]nn1	PC-id_77561655	432.904	WJUVTIKFHPFOMI-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163420
Clc1cc(CNC(=O)C2N(CC3C2C3)C(=O)C(O)C(C)(C)C)c(cc1)c1n[nH]nn1	PC-id_77562583	432.904	NMJJFUATKOBTKC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163421
Clc1cc(CNC(=O)[C@H]2N(C[C@H]3[C@@H]2C3)C(=O)[C@H](O)C(C)(C)C)c(cc1)c1n[nH]nn1	SCHEMBL3933104,PC-id_68844681	432.904	NMJJFUATKOBTKC-DDWPSWQVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163422
Clc1cc(CNC(=O)[C@H]2N(C[C@H]3[C@@H]2C3)C(=O)[C@H](O)C(C)(C)C)c(n2nnnc2)cc1	PC-id_25154104,SCHEMBL4211681	432.904	JWNURNBUAGMWBQ-CSFVBSKPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163423
Clc1cc(CNC(=O)[C@H]2N(C[C@@H]3[C@H]2C3)C(=O)[C@H](O)C(C)(C)C)c(n2nnnc2)cc1	SCHEMBL4199388,PC-id_25154144	432.904	JWNURNBUAGMWBQ-IRWJRLHMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163424
Clc1cc(CNC(=O)[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)[C@H](O)C(C)(C)C)c(cc1)c1n[nH]nn1	SCHEMBL3918798,PC-id_68839212	432.904	WJUVTIKFHPFOMI-MVWHLILJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163425
Clc1cc(CNC(=O)[C@H]2N([C@H]3[C@H](C3)C2)C(=O)[C@H](O)C(C)(C)C)c(n2nnnc2)cc1	PC-id_25154145,SCHEMBL4206536	432.904	VHVGDYHORQYNPQ-JKEMJCCQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163426
Clc1cc(CNC(=O)[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)[C@H](O)C(C)(C)C)c(n2nnnc2)cc1	PC-id_25154146,SCHEMBL4204096	432.904	VHVGDYHORQYNPQ-SPOWBLRKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163427
C1CN(CCC1NC2C3C2CN(C3)I)I	PC-id_155219668	432.951	QBDPEDACQXMQII-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163428
CC1=C(N=C(C=C1)Br)CC(=O)[C@@H]2C[C@]3(C[C@H]3N2)CNC(=O)CC(F)(F)F	PC-id_162087006	433.061	RJMVNGPZHFLGBX-GHJWDPDVSA-N	00100010000000101000010000000000000000000000000000000000	22-01-163429
C[C@H](C1[C@H]2[C@@H]1CC(C2)OC3=C(C=CC(=C3)Cl)C(=O)O)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153288824	433.085	YKYANOFYYFPRRT-JRGYSEOJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163430
CCC(C1[C@H]2[C@@H]1CC(C2)NC(=O)C3=C(C=C(C=N3)F)F)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153289008	433.137	SXNOGLYVADVGOT-BRMDDGIZSA-N	00100010000010111000010000000000000000000000000000000000	22-01-163431
CCC(C1[C@H]2[C@@H]1CC(C2)Nc1c(ccc(c1)F)[N+](=O)[O-])NC(c1ccc(cc1)Cl)O	PC-id_163889851	433.157	QAPWLVJYYOXTIW-WAFLKJLESA-N	00100010000010110000010000000000000000000000000000000000	22-01-163432
CC(CC1=CC=C(C=C1)N2C=CC(=NC2=O)N)N3C[C@@H]4[C@H](C3)C4CNCS(=O)(=O)O	PC-id_154650935	433.178	VRJLFQAEDRDFGP-XHKQCLGSSA-N	00100010000000110001110000000000000000000000000000000000	22-01-163433
Brc1c(OCC(=O)N2C3C(C3C(F)(F)F)CC2)c(OCC)cc(c1)C#N	PC-id_72108227,MCULE-4955326106,EMOLS-id_42923327	433.22	RKMMQAABWDTORM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163434
CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H]2[C@@H]1[C@@H]2C(F)(F)F	ZINC22_101449334,PC-id_98211207	433.22	RKMMQAABWDTORM-COLVAYQJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163435
CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F	ZINC22_252673690	433.22	RKMMQAABWDTORM-LKTVYLICSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163436
CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H]2[C@H]1[C@@H]2C(F)(F)F	ZINC22_72311701,PC-id_95787902	433.22	RKMMQAABWDTORM-VQISRLSMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163437
CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H]2[C@H](C(F)(F)F)[C@H]12	ZINC22_252673691	433.22	RKMMQAABWDTORM-NZVBXONLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163438
CC1=NC(=CS1)/C=C(C)/[C@@H]2C[C@H]3[C@H](O3)C/C=C/CCCCC([C@H](CC(=O)O2)O)(C)C	PC-id_163895158	433.229	QEZGCODILCQXPV-YZKKOYBPSA-N	00100000100000000111010000000000000000000000000000000000	22-01-163439
CCC(=NC(=NC)C1CC1)C23CC2CN(C3)C(=O)C4=C(C=CC(=C4)C)CCC(F)(F)F	PC-id_165122969	433.234	YDVILCZMRUPYDT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163440
Clc1cc(COC2C(N)(C3C(C3C(=O)O)C2NC(=O)CO)C(=O)O)ccc1Cl	PC-id_77339548	433.24	ZKSCKJMGNZTQKY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163441
Clc1cc(COC2C(N)(C3C(C3C(=O)O)C2NC(=O)OC)C(=O)O)ccc1Cl	PC-id_77339776	433.24	OCNVADMKXAQCFP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163442
Clc1cc(CO[C@H]2[C@](N)([C@H]3[C@H]([C@@H]3C(=O)O)[C@@H]2NC(=O)CO)C(=O)O)ccc1Cl	SCHEMBL8834883,PC-id_67705811	433.24	ZKSCKJMGNZTQKY-SGPHYXEKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163443
Clc1cc(CO[C@H]2[C@](N)([C@H]3[C@H]([C@@H]3C(=O)O)[C@@H]2NC(=O)OC)C(=O)O)ccc1Cl	SCHEMBL8844404,PC-id_67707808,BindingDB_PC-id_67707808	433.24	OCNVADMKXAQCFP-WNAOHANSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163444
CC(C)(C)OC(=O)N1[C@@H](C[C@@]2([C@H]1C2)Cn1cc(cn1)I)C(=O)O	PC-id_135319143,SCHEMBL20489038	433.241	APBPOFVAMKHTEU-RWSFTLGLSA-N	00100010100000000001010000000000000000000000000000000000	22-01-163445
CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC3C(C2)C3C[N-]C4=CN=C(C=C4)N5CCOCC5	PC-id_161002002	433.261	TVZVDGWMPURZGV-UHFFFAOYSA-N	00100010000010111001110000000000000000000000000000000000	22-01-163446
CCOC(=O)[C@]1(N)[C@H](NCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)OCC	SCHEMBL233581,PC-id_11224264	433.301	GWJDHQNAQNLOSU-UGXJIPPFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163447
Clc1cc(CNC2C(N)(C3C(C3(F)C(=O)OCC)C2)C(=O)OCC)ccc1Cl	PC-id_72758086	433.301	GWJDHQNAQNLOSU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163448
CCOC(=O)C1(C2C1C(C(C2)OS(=O)(=O)C(F)(F)F)(C(=O)OCC)[N-][N+]#N)F	PC-id_86606013	433.333	XCAQQILCZXHXRI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163449
OC(NC1C2C1CNC2)/C=C\n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL18861001	433.351	RXOKPVBCHMDXOX-UPHRSURJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163450
C1C2C(C2Nc2nc(nc(n2)Nc2cc(cnc2)F)c2nc(ccc2)C(F)(F)F)CO1	PC-id_89683847,SCHEMBL15102244	433.362	DVHHKEKLKFKWTA-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-163451
C1C2C(C2Nc2nc(nc(n2)Nc2cc(ncc2)F)c2nc(ccc2)C(F)(F)F)CO1	SCHEMBL15102589,PC-id_89684179	433.362	QXZVAPXCGJZUAA-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-163452
C1C2C(C2Nc2nc(nc(n2)Nc2cnc(cc2)F)c2nc(ccc2)C(F)(F)F)CO1	SCHEMBL15102572,PC-id_89684163	433.362	UUGFGVOQRPGQBS-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-163453
C1[C@H]2C(C2Nc2nc(nc(n2)Nc2cnc(cc2)F)c2nc(ccc2)C(F)(F)F)CO1	SCHEMBL20017992,PC-id_134388064	433.362	UUGFGVOQRPGQBS-NLTNOIMHSA-N	00100010000000101001110000000000000000000000000000000000	22-01-163454
CCCC(C(=O)C(=O)C)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(Cl)Cl)C(=O)[C@H](C(C)(C)C)C	PC-id_117758127,SCHEMBL16316619	433.369	FHLVBAONRWTCOO-JOSXQMKASA-N	00100010000000000000010000000000000000000000000000000000	22-01-163455
C=CCCCCN(C[C@]12C[C@H](N[C@@H]2C1)C(=O)Nc1nc(Br)ccc1C=C)C	SCHEMBL20488782,PC-id_135318899	433.385	HOAORDYFNNMROO-FVJLSDCUSA-N	00100010000000101000010000000000000000000000000000000000	22-01-163456
Fc1c(cc(CN2CC3C(C3CNC(=O)c3cc(OC(F)(F)F)ccc3)C2)cc1)C#N	PC-id_69470684,SCHEMBL5512202	433.399	HZPYDZYKPSVOAO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163457
FC1CN(CC1F)C(=O)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F	SCHEMBL711292,PC-id_66775901	433.415	DBOCHWZOEMAZCA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163458
FC(F)(F)Oc1cc(C(=O)NCC2C3C2CN(C3)CC(=O)Nc2ccccc2)ccc1	SCHEMBL5509109,PC-id_69469435	433.424	HXMQWWPYVVQLHD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163459
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(s1)c1noc(c1)C(F)(F)F	SCHEMBL14056809,PC-id_89238118	433.425	ZXIPRSIJPPYJQY-UHFFFAOYSA-N	00100010100100000001110000000000000000000000000000000000	22-01-163460
C=CCOC(=O)N[C@@]1(C(=O)O)[C@H](OCc2ccc(cc2)F)C[C@@H]2[C@H]1[C@H]2C(=O)OCC=C	SCHEMBL19508651	433.427	QYWGWBOCIWTYTK-ZEJGCCENSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163461
C1C2(C1(C(C(C(C2(O)O)(O)O)(O)O)(O)O)O)CSc1cccc(c1)C(=O)CCN	PC-id_90858582	433.43	XHGSLKVDEODSBO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163462
CCS(=O)(=O)c1ccc(c(c1)C(=O)N1CC2C(C1)(C2)C(=N)N)OC(C(F)(F)F)C	PC-id_89404015,SCHEMBL18643151	433.445	VGIBGNWLLDBRCU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163463
CCS(=O)(=O)c1ccc(c(c1)C(=O)N1CC2C(C1)(C2)C(=N)N)O[C@H](C(F)(F)F)C	SCHEMBL14683620	433.445	VGIBGNWLLDBRCU-KCCQOBMMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163464
CCS(=O)(=O)c1ccc(c(c1)C(=O)N1CC2C(C1)(C2)C(=N)N)O[C@@H](C(F)(F)F)C	SCHEMBL15144097	433.445	VGIBGNWLLDBRCU-LJRHVDQYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163465
COC(=O)CC12CN(CC2(C1CC(=O)OC)CC(=O)OC)C(=O)OCc1ccccc1	SCHEMBL19895500,PC-id_134280572	433.452	ZUJQANSSDSJLQJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163466
O(CC12C(C1C(=O)O)CN(C2)C(=O)C(OCc1ccccc1)C(=O)O)C1OCCCC1	PC-id_19737297,SCHEMBL9485219	433.452	WTMPFVSBXIZGAY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163467
OC(=O)C1C2C1C(NC(=O)Nc1ccc(cc1)C)CC2(NC(=O)OC(C)(C)C)C(=O)O	PC-id_69897791	433.455	HWRSEAZZNMXMEU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163468
OC(=O)C1C2C1C(NC(=O)Nc1cc(ccc1)C)CC2(NC(=O)OC(C)(C)C)C(=O)O	PC-id_69897858	433.455	YHPVJHSCHSMABZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163469
OC(=O)C1C2C1C(NC(=O)Nc1c(cccc1)C)CC2(NC(=O)OC(C)(C)C)C(=O)O	PC-id_69897932	433.455	KQCLJXKTNOXRNG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163470
OC(=O)COOC1(C(=O)ON2CCN(CC2)C2CCNCC2)c2c1cccc2C(=O)C	SCHEMBL8667149	433.455	ZXVRQKCBFOWGDT-UHFFFAOYSA-N	00100000000010100001110000000000000000000000000000000000	22-01-163471
CCOC(=O)NC(=NC[C@@H]1[C@@H]2[C@H]1[C@H](NC2)C(=O)NCC(=O)O)Nc1ccc(cc1)OC	PC-id_101133094	433.458	NFYCVTGMEZUBQW-SRABZTEZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163472
CCOC(=O)NC(=NC[C@@H]1[C@@H]2[C@H]1[C@H](NC2)C(=O)NCC(=O)O)Nc1ccccc1OC	PC-id_101133096	433.458	FEYIHPQYCKFOJW-SKNMWMDOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163473
Cc1ccc(cc1)S(=O)(=O)OC(CNC(=O)OCc1ccccc1)C1C2C(O2)CO1	PC-id_87178890	433.475	VFHRANJQISSBHI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163474
Cc1c(cc(cc1)S(=O)(=O)O)C(CNC(=O)OCc1ccccc1)C1C2C(O2)CO1	SCHEMBL4229031,PC-id_87637845	433.475	DVNIHERCOGLJPD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163475
CCc1ccc(cc1)C(=O)n1cc2c(c1)C2C(=O)Nc1ccc(c(c1)F)N1CCOCC1	SCHEMBL8289921,PC-id_70335414	433.475	DLJJUNIIYFJTSL-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-163476
O=C(OCc1ccccc1)NCC([C@H]1OC[C@H]2[C@@H]1O2)OS(=O)(=O)c1ccc(cc1)C	SCHEMBL940343	433.475	VFHRANJQISSBHI-NXEWRWPSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163477
O=C(OCc1ccccc1)NC[C@H](C1OCC2C1O2)OS(=O)(=O)c1ccc(cc1)C	SCHEMBL1127849	433.475	VFHRANJQISSBHI-NEYBNPPJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163478
O=C(OCc1ccccc1)NC[C@@H]([C@H]1OC[C@H]2[C@@H]1O2)OS(=O)(=O)c1ccc(cc1)C	PC-id_59343395,SCHEMBL1305808	433.475	VFHRANJQISSBHI-HAGHYFMRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163479
O=C(OCc1ccccc1)NC[C@@H]([C@H]1OC[C@H]2[C@H]1O2)OS(=O)(=O)c1ccc(cc1)C	SCHEMBL1482703	433.475	VFHRANJQISSBHI-VNTMZGSJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163480
O=C(OCc1ccccc1)NC[C@H]([C@H]1OC[C@H]2[C@@H]1O2)OS(=O)(=O)c1ccc(cc1)C	SCHEMBL940340	433.475	VFHRANJQISSBHI-WCIQWLHISA-N	00100010000000110000010000000000000000000000000000000000	22-01-163481
O=C(OCc1ccccc1)NC[C@H]([C@H]1OC[C@H]2[C@H]1O2)OS(=O)(=O)c1ccc(cc1)C	SCHEMBL940341	433.475	VFHRANJQISSBHI-IYWMVGAKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163482
CCCOP(=O)(OCCOCCNC(=O)OC[C@@H]1[C@H]2[C@@H]1CCC=C(CC2)C)OC	SCHEMBL19174076	433.476	DKSCQCRWDCYKHZ-ANKCJPFISA-N	00100000000000000110010000000000000000000000000000000000	22-01-163483
O([C@@H](CC=C)c1ccncc1)B([C@@H]1C[C@H]2[C@H](C2(C)C)C[C@H]1C)[C@@H]1C[C@H]2[C@H](C2(C)C)C[C@H]1C	PC-id_10094397	433.477	FBIWPDBDYXVPNH-BTOQNHALSA-N	00100000000010101000010000000000000000000000000000000000	22-01-163484
Cc1cccc(c1)C(=O)N1C[C@@H]2[C@H](C1)C2N(c1nc(cc(=O)n1C)c1ccncc1F)C	PC-id_59576932,SCHEMBL2489306	433.478	XBUFSHBSYNEXAV-VSOVRNOCSA-N	00100010000000111001110000000000000000000000000000000000	22-01-163485
Cc1ccc(cc1)C(=O)N1C[C@@H]2[C@H](C1)C2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2489223,PC-id_59576742	433.478	FJSZUNQZVTVKAV-VSOVRNOCSA-N	00100010000000111001110000000000000000000000000000000000	22-01-163486
Cc1ccc(cc1)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2489220	433.478	FJSZUNQZVTVKAV-OEWRPIJISA-N	00100010000000111001110000000000000000000000000000000000	22-01-163487
Cc1ccc(cc1)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2489222	433.478	FJSZUNQZVTVKAV-OPMZPASUSA-N	00100010000000111001110000000000000000000000000000000000	22-01-163488
Cc1cccc(c1)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2489303	433.478	XBUFSHBSYNEXAV-OEWRPIJISA-N	00100010000000111001110000000000000000000000000000000000	22-01-163489
Cc1cccc(c1)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2489305	433.478	XBUFSHBSYNEXAV-OPMZPASUSA-N	00100010000000111001110000000000000000000000000000000000	22-01-163490
Cc1ccc(c(n1)C(=O)N1CC2C[C@@H]2C[C@H]1CCOc1ccc(cn1)F)c1ncccn1	PC-id_68040295,SCHEMBL10121869	433.478	CLRGGMIIPGRIDQ-IRQCGSAXSA-N	00100000000010101001110000000000000000000000000000000000	22-01-163491
Cc1ccc(c(n1)C(=O)N1C[C@H]2C[C@H]2CC1CCOc1ccc(cn1)F)c1ncccn1	PC-id_144077776	433.478	CLRGGMIIPGRIDQ-PZEDNMLSSA-N	00100000000010101001110000000000000000000000000000000000	22-01-163492
Cc1ccc(c(n1)C(=O)N1C[C@H]2C[C@H]2C[C@H]1CCOc1ccc(cn1)F)c1ncccn1	PC-id_49802278,SCHEMBL610830	433.478	CLRGGMIIPGRIDQ-YQVWRLOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-163493
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CCOc1ccc(cn1)F)c1ncccn1	SCHEMBL610890,PC-id_49801989	433.478	CLRGGMIIPGRIDQ-ZIFCJYIRSA-N	00100000000010101001110000000000000000000000000000000000	22-01-163494
Fc1c(c2nc(N(C3C4C3CN(C4)C(=O)c3ccc(cc3)C)C)n(c(=O)c2)C)ccnc1	PC-id_72330878	433.478	FJSZUNQZVTVKAV-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-163495
Fc1c(c2nc(N(C3C4C3CN(C4)C(=O)c3cc(ccc3)C)C)n(c(=O)c2)C)ccnc1	PC-id_72330985	433.478	XBUFSHBSYNEXAV-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-163496
Fc1c(c2c(NC(=O)OCC3C4C3CN(C4)Cc3ccccc3)cccc2)ccc(F)c1	PC-id_15983508	434.478	DSLRYHLHNVDBBE-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-163630
Fc1c(c2nc(N(C3C4C3CN(C4)C(=O)Cc3ccccc3)C)n(c(=O)c2)C)ccnc1	PC-id_72330930	433.478	GZPGOQAVFWGGLX-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-163497
Fc1c(c2nc(N(C3[C@H]4[C@@H]3CN(C4)C(=O)Cc3ccccc3)C)n(c(=O)c2)C)ccnc1	SCHEMBL2487265,PC-id_59576833	433.478	GZPGOQAVFWGGLX-NHJWOMDBSA-N	00100010000000111001110000000000000000000000000000000000	22-01-163498
Fc1ccc(OCCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ncccn2)C)nc1	PC-id_75282275	433.478	CLRGGMIIPGRIDQ-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-163499
O=C(N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C)Cc1ccccc1	SCHEMBL2487262	433.478	GZPGOQAVFWGGLX-CYGODWOOSA-N	00100010000000111001110000000000000000000000000000000000	22-01-163500
O=C(N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C)Cc1ccccc1	SCHEMBL2487264	433.478	GZPGOQAVFWGGLX-FEJSZKPUSA-N	00100010000000111001110000000000000000000000000000000000	22-01-163501
CC1CC(C(C(C1O)OC1C(C(C(O1)CO)O)O)OC1C(C2C(O2)C(O1)CN)C)C	PC-id_91520975	433.493	PMFIKLDDLOVJTR-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163502
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1C2CC2N(C1=O)Cc1ccccn1	SCHEMBL4281572,PC-id_68985094	433.493	JTPIDMWQMKNQAN-UHFFFAOYSA-N	00100010000000111001010000000000000000000000000000000000	22-01-163503
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1[C@H]2C[C@H]2N(C1=O)Cc1ccccn1	SCHEMBL8233262,PC-id_57775717	433.493	JTPIDMWQMKNQAN-LOSJGSFVSA-N	00100010000000111001010000000000000000000000000000000000	22-01-163504
CCOC1OC2OC2CC1NC(=O)[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C	PC-id_145307745	433.498	GYDUWHWPKVRPOT-KEWOVGDCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163505
COC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC2C[C@@H]3[C@H](C2)C3)C)C[C@H]1C=C	PC-id_145545498	433.498	PVKAEMQYGWNWMG-RNGHRMIMSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163506
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)N(C(=O)C1CCOCC1)C	PC-id_89238203,SCHEMBL14056915	433.521	RABBFEVVTYWCIG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163507
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)OCc1ccccc1	SCHEMBL14054760,PC-id_89236386	433.521	AGOLTANAVQNSEK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163508
O1C2C(O)(CCCCCC(=O)O)C=C(NC(=O)/C=C/C(CC(C)C=C(C)C)C)C(=O)C12	PC-id_11743600	433.538	ZVKBHNHXNZFHGF-MDZDMXLPSA-N	00100000000011000000010000000000000000000000000000000000	22-01-163509
O1C2C(O)(CCCCCC(=O)O)C=C(NC(=O)C=CC(CC(C)C=C(C)C)C)C(=O)C12	PC-id_73082511	433.538	ZVKBHNHXNZFHGF-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-163510
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OC(=O)CCCCC[C@@]1(O)C=C(NC(=O)/C=C/[C@H](C[C@H](C=C(C)C)C)C)C(=O)[C@H]2[C@@H]1O2	PC-id_101949406	433.538	ZVKBHNHXNZFHGF-MMYCBIOKSA-N	00100000000011000000010000000000000000000000000000000000	22-01-163512
CC(C)(C)COc1c(ccc(c1)CN(CC1C2C1CNC2)C(=O)Oc1cscn1)F	SCHEMBL15967242,PC-id_90353562	433.539	SRVMJNRAKVSMQR-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-163513
O(CCNC1C2C1CN(C2)Cc1ccccc1)c1ccc(cc1)CC(C(=O)OCC)C#N	PC-id_74325076	433.543	UAFZDKAFQNZRGM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163514
O(CCNC1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)c1ccc(cc1)CC(C(=O)OCC)C#N	PC-id_24821468	433.543	UAFZDKAFQNZRGM-AABVNVKOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163515
CC/C=C/1CCC[C@H](NC(=O)OC(C)(C)C)C2C(O[C@H]([C@@H]1Cc1ccc(cc1)F)C)O2	PC-id_144957316	433.556	SXNBLXISJOXVPZ-KZXJJIDGSA-N	00100000000000110100010000000000000000000000000000000000	22-01-163516
Cc1ccc(cc1)C(c1cccs1)(C(=O)OCC1C2C1CN(C2)Cc1ccccc1)O	SCHEMBL4619964,PC-id_16038861	433.562	CFEDWSGXYBRKKO-UHFFFAOYSA-N	00100010100100110000010000000000000000000000000000000000	22-01-163517
S(=O)(=O)(N1C2C1CC(Nc1ccccc1)C(Nc1ccccc1)C2)c1ccc(cc1)C	PC-id_78141237	433.566	YFPLXBNKMMASPH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163518
S(=O)(=O)(N1[C@@H]2[C@H]1C[C@H](Nc1ccccc1)[C@@H](Nc1ccccc1)C2)c1ccc(cc1)C	PC-id_71658239	433.566	YFPLXBNKMMASPH-SNWDOKNXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163519
CCc1cnc(nc1)NCC1CC2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1571974,PC-id_67081271	433.569	VIRNIFNUAHJGFC-MHJFOBGBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163520
CCc1cnc(nc1)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1572226,PC-id_67081431	433.569	VIRNIFNUAHJGFC-AABGKKOBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163521
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CNc1ncc(cn1)CC)c1cc(ccc1)C	PC-id_74380524	433.569	VIRNIFNUAHJGFC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163522
s1c(c(nc1C)C(=O)N1C2C(C2)C[C@H]1CNc1ncc(cn1)CC)c1cc(ccc1)C	PC-id_24987985	433.569	VIRNIFNUAHJGFC-GPJFCIFZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-163523
CC1N(Cc2ccccc2)CC2C1C2COC(=O)C(c1ccccc1)(C1CCCCC1)O	PC-id_69117111,SCHEMBL4620334	433.582	VISNHDQGGNHIHI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163524
CC(c1ccccc1)N1CC2C(C1)C2COC(=O)C(c1ccccc1)(C1CCCCC1)O	SCHEMBL4620925,PC-id_10455566	433.582	VHUMMXWPCQBMKI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163525
CC(c1ccccc1)N1CC2C(C1)C2COC(=O)Cc1cccc(c1O)C1CCCCC1	SCHEMBL4885818,PC-id_69229097	433.582	JSQAHYAZPSFDTL-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-163526
O(CC1C2C1CN(C2C)Cc1ccccc1)C(=O)Cc1c(O)c(C2CCCCC2)ccc1	SCHEMBL4885118,PC-id_69228840	433.582	FRVHXRQMGPQJLI-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-163527
O(CC1C2C1CN(C2)CCc1ccccc1)C(=O)C(O)(C1CCCCC1)c1ccccc1	SCHEMBL4620926,PC-id_69117321	433.582	ANLRSBISHGGFDM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163528
O(CC1[C@H]2[C@@H]1CN(C2)C(C)c1ccccc1)C(=O)C(O)(C1CCCCC1)c1ccccc1	PC-id_16718223	433.582	VHUMMXWPCQBMKI-ZGLGCNEOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163529
O=C(C(c1ccccc1)CC1C2C1C(N(C2)Cc1ccccc1)C)OOC1CCCCC1	SCHEMBL4620331,PC-id_16039258	433.582	KDMCPJRLVUAXES-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163530
CNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)C)CC1CCC1	SCHEMBL7855307,PC-id_58821448	433.584	SWQKOISXHHBWMP-UVYCUMSOSA-N	00101010000000000000010000000000000000000000000000000000	22-01-163531
O=C(NC(CC1CCC1)C(=O)C(=O)NC)C1N(CC2C1C2(C)C)C(=O)C(C(C)(C)C)C	PC-id_72416993	433.584	SWQKOISXHHBWMP-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-163532
O=C(NC(CC1CCC1)C(=O)C(=O)NC)[C@H]1N(CC2C1C2(C)C)C(=O)[C@H](C(C)(C)C)C	PC-id_58766801	433.584	SWQKOISXHHBWMP-YGOCMSMWSA-N	00101010000000000000010000000000000000000000000000000000	22-01-163533
Cc1cccc(n1)CN1CC2C(C1)C2CNC(=O)C(c1ccccc1)(C1CCCCC1)O	SCHEMBL4619097,PC-id_16039175	433.586	LBMPOKPLQKMXSJ-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-163534
CC(N1CC2C(C1)(C2)C(NC(=O)C(c1ccccc1)(C1CCCC1)O)N)c1ccccc1	SCHEMBL4685159,PC-id_69144095	433.586	PZSVPYOXSACPMB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163535
CC(=O)Nc1ccc(c(c1O)C1CCCCC1)CC1C2C1CN(C2)Cc1cccc(n1)C	PC-id_140533226	433.586	BJDJPOOOBHQHCF-UHFFFAOYSA-N	00100010000010111000110000000000000000000000000000000000	22-01-163536
NC(C12CN(CC2C1)Cc1ccccc1)NC(=O)C(c1ccccc1)(C1CCCCC1)O	SCHEMBL3913264,PC-id_68836824	433.586	CLNGJIWUPQFJSZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163537
NC(C12CN(CC2C1)Cc1ccccc1)NC(=O)[C@](c1ccccc1)(C1CCCCC1)O	SCHEMBL4682653,PC-id_69143234	433.586	CLNGJIWUPQFJSZ-ADUJOEHUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163538
NC(CC12CN(CC2C1)Cc1ccccc1)NC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4682386,PC-id_69143138	433.586	LIMQFKKYGIIUMQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163539
NCC(C1CCN(CC1)CCc1ccc(cc1)ON(S1(C)c2c1cccc2)F)NN	SCHEMBL20997889,PC-id_138631141	433.586	ATGFJCKTXNNSJX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-163540
OC(C1CCCC1)(C(=O)NCNC1C2C1CN(C2)C(C)c1ccccc1)c1ccccc1	PC-id_73309204	433.586	MTFGZICCSMIWIR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163541
OC(C1CCCC1)(C(=O)NCNC1[C@H]2[C@@H]1CN(C2)C(C)c1ccccc1)c1ccccc1	PC-id_16718204	433.586	MTFGZICCSMIWIR-UWOANLGQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163542
O=C(c1ccc(cc1)C(C)(C)C)N1CC2C(C1)C2CNc1ccc(nc1)C1CCOCC1	SCHEMBL4418160,PC-id_69035860	433.586	LYUBEPMGDKSQEI-UHFFFAOYSA-N	00100010000010111000110000000000000000000000000000000000	22-01-163543
OC(C1CCCCC1)(C(=O)NCNC1C2C1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_11534086	433.586	NFVWWDAVZVQNJF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163544
OC(C1CCCCC1)(C(=O)NCNC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_16718046	433.586	NFVWWDAVZVQNJF-XRNSRTRQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163545
O[C@@](C1CCCCC1)(C(=O)NCNC1[C@H]2[C@@H]1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_16718102	433.586	NFVWWDAVZVQNJF-QUDVPHRHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163546
O=C(C(c1ccccc1)(C1CCCCCC1)O)NCC1C2C1CN(C2)Cc1ccccn1	SCHEMBL4885322,PC-id_16039254	433.586	SRQQDXLQULHWSP-UHFFFAOYSA-N	00100010000000111100010000000000000000000000000000000000	22-01-163547
O=C(C(c1ccccc1)(C1CCCCCC1)O)NCC1C2C1CN(C2)Cc1cccnc1	PC-id_16039406,SCHEMBL4887294	433.586	HRBWHTHFHGQXMU-UHFFFAOYSA-N	00100010000000111100010000000000000000000000000000000000	22-01-163548
O=C(C(c1ccccc1)(C1CCCCCC1)O)NCC1C2C1CN(C2)Cc1ccncc1	PC-id_16039407,SCHEMBL4883540	433.586	KLANPWDPAMZLSP-UHFFFAOYSA-N	00100010000000111100010000000000000000000000000000000000	22-01-163549
O=C(/C(=CC1=CC2C(C=C1)(C2)N(C)C)/NC(c1ccc(cc1)C(C)(C)C)O)N1CC=CC1	PC-id_142162209	433.586	CGPDDIBAWBWKLR-HAVVHWLPSA-N	00100011000011110000010000000000000000000000000000000000	22-01-163550
OC(C(=O)NCC(N)C1C2C1CN(C2)Cc1ccccc1)(C1CCCC1)c1ccccc1	PC-id_73309149	433.586	JGTMIXVNGNNLII-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163551
OC(C(=O)NCC(N)C1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)(C1CCCC1)c1ccccc1	PC-id_16717923	433.586	JGTMIXVNGNNLII-SRMFDCCLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163552
CCC12CC(OC(=O)CCCC(=O)CCCCCCC1O2)/C(=C/c1csc(n1)C)/C	PC-id_142781199	433.604	NFJRZKCOAJAMFH-SAPNQHFASA-N	00100000100000000101010000000000000000000000000000000000	22-01-163553
Cc1ccc(cc1)C(C(=O)NCC1C2C1C[N+](C2)(C)Cc1ccccc1)(C1CCCC1)O	PC-id_25031464,SCHEMBL3213227	433.606	LFEQXZLWDRBOEX-UHFFFAOYSA-O	00100010000010110000010000000000000000000000000000000000	22-01-163554
Cc1cc(ccc1)C[N+]1(CC2C(C1)C2CNC(=O)Cc1cccc(c1O)C1CCCC1)C	PC-id_87493408,SCHEMBL3205361	433.606	YPCBBVIOHSUWOD-UHFFFAOYSA-O	00100010000010110000110000000000000000000000000000000000	22-01-163555
Cc1ccc(cc1)C[N+]1(CC2C(C1)C2CNC(=O)Cc1cccc(c1O)C1CCCC1)C	PC-id_87495586,SCHEMBL3220496	433.606	RBFLHWBQINBQSP-UHFFFAOYSA-O	00100010000010110000110000000000000000000000000000000000	22-01-163556
Cc1ccc(cc1)C[N+]1(C)CC2C(C1)C2CNC(=O)C(c1ccccc1)(C1CCCC1)O	PC-id_25031745,SCHEMBL3220489	433.606	CMIXPBZVDBCSJQ-UHFFFAOYSA-O	00100010000010110000010000000000000000000000000000000000	22-01-163557
Cc1cccc(c1)C[N+]1(C)CC2C(C1)C2CNC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL3205352,PC-id_25031468	433.606	RZLOKIHNEWKIOX-UHFFFAOYSA-O	00100010000010110000010000000000000000000000000000000000	22-01-163558
C[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@H]2NC(=O)[C@](c1ccccc1)(C1CCCCCC1)O	GD-id_ZINC15821636	433.606	LRNJBUPZDCHNPN-RDHZPSIESA-O	00100010000010110100010000000000000000000000000000000000	22-01-163559
C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@H]2NC(=O)[C@@](c1ccccc1)(C1CCCCCC1)O	GD-id_ZINC15821650	433.606	LRNJBUPZDCHNPN-VRTVZIHNSA-O	00100010000010110100010000000000000000000000000000000000	22-01-163560
O=C(NC(CCOC(CCC(=O)C(C)(C)C)(C)C)(C)C)OCC1[C@@H]2[C@H]1CCC#CCC2	PC-id_138710603	433.624	JZDOEGVRAGJHKH-WCRBZPEASA-N	00100000000000000110010000000000000000000000000000000000	22-01-163561
O=C(NC(CCOC(CCC(=O)C(C)(C)C)(C)C)(C)C)OC[C@@H]1[C@H]2[C@@H]1CCC#CCC2	SCHEMBL21087666	433.624	JZDOEGVRAGJHKH-WKCHPHFGSA-N	00100000000000000110010000000000000000000000000000000000	22-01-163562
CC(c1ccc(cc1)CN1CC2C(C1)C2CNCc1ccc(cc1)N1CCOCC1)(C)C	PC-id_69033340,SCHEMBL4412091	433.629	WCJFTYNIMUDJJG-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-163563
ON=C1CC2C(C2(C)C)CC1(NCCNCCNC1(CC2C(C2CC1=NO)(C)C)C)C	PC-id_73197324	433.631	PRWSKLUQTWMUGN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163564
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CC(C)(C)OC(=O)N1C2CC2(CC1C(C)(C)O[Si]C(C)(C)C)COS(=O)(=O)C	PC-id_90020234	433.635	WCUIKERNFLGQDR-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-163566
O=C1CCCN1C(C(C(CC(C(C)(C)C)C1CCC2C(C1)O2)(C)C)(C)C)CC(C)(C)C	PC-id_142089396	433.71	IKFGZUJFMSWTEV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163567
Clc1cc(SNc2ccncn2)c(cc1NC1CCC2C(C1)C2(Cl)Cl)F	PC-id_139448703,SCHEMBL21312046	433.758	DRYTUHMCDQZLDK-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-163568
BrCCC12C(C1(Cl)Cl)(CC(Cl)(Cl)C2)CCBr	PC-id_21673779	433.822	OXAVRBMUBXJYID-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163569
C1C2C1CN(C2)C(=O)c1c(cc(cc1)NC(=O)Cc1ccccc1Cl)S(=O)(=O)N	SCHEMBL20258424,PC-id_134603944	433.908	LROHAVOSVGPXEH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-163570
Cc1ccc(c(c1)C(=O)N1[C@@H](CC[C@H]2C1C2)CNc1ccc(cn1)Cl)c1ncccn1	SCHEMBL16549986,PC-id_117937825	433.933	WGQUHAYQSBKLDS-JUAJCIKASA-N	00100000000010111001110000000000000000000000000000000000	22-01-163571
Cc1ccc(c(c1)C(=O)N1[C@@H](CC[C@H]2[C@@H]1C2)CNc1ccc(cn1)Cl)c1ncccn1	PC-id_71747531,SCHEMBL16533998	433.933	WGQUHAYQSBKLDS-MMOPVJDHSA-N	00100000000010111001110000000000000000000000000000000000	22-01-163572
Cc1ccc(c(c1)C(=O)N1[C@@H](CC[C@@H]2[C@H]1C2)CNc1ccc(cn1)Cl)c1ncccn1	SCHEMBL15266050,PC-id_71746655	433.933	WGQUHAYQSBKLDS-DJPFJPOOSA-N	00100000000010111001110000000000000000000000000000000000	22-01-163573
Clc1ccc(NCC2N(C3C(C3)CC2)C(=O)c2c(ccc(c2)C)c2ncccn2)nc1	PC-id_78167827	433.933	WGQUHAYQSBKLDS-UHFFFAOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-163574
CCC1CC2C(C2(C1C)OC(=O)OC(C)(C)C)Nc1c(c(nc(n1)C(C)C)Cl)C#C	PC-id_91385554	433.971	HOOXKQOVQDYSNT-UHFFFAOYSA-N	00100010000010100001010000000000000000000000000000000000	22-01-163575
CCOC(=O)C1CCC2C1(C2(C(=O)OCC)F)SCC3=CC(=C(C=C3)Cl)Cl	PC-id_153912894	434.052	PZEBRPJHSJCCBE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-163576
ClC(=Cc1ccccn1)C1(C)OCCCCCCCCCCCC2C(C1(C)C)(C)O2	PC-id_141104264	434.054	GZJJTIXMVXPCQK-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-163577
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CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3C([C@H]2C(=O)O)C3(Cl)Cl	PC-id_149305646	434.138	XXPRBURFAOFYPM-FTKZKSHWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-163581
C1CC2C(O2)CC1COCC(=O)CCSCCC(=O)OCCOC(=O)CCS	PC-id_164800474	434.143	VBDBMTCJHOAGKB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163582
C1C(CC2C1O2)COCC(=O)CCSCCC(=O)OCCCOC(=O)CCS	PC-id_164800490	434.143	LBSZVRJHKCFFMN-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-163583
C[C@H]1C2CC2C=C[C@]1(C)N(C(=NC)COC)C(=O)C1=C(C(=CCC1)CBr)C	PC-id_163765105	434.157	MBOUYFGVHZWBAR-OKDFCFPUSA-N	00100000000011000000010000000000000000000000000000000000	22-01-163584
BrC(=C/C=C(/C=C/[C@@]12O[C@@]1(CCCC2(C)C)C)C(=O)OC)Br	PC-id_11212680	434.163	TXXPDGMPQLYDLD-NRPQDTHVSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163585
BrC(=CC=C(C=CC12OC1(CCCC2(C)C)C)C(=O)OC)Br	PC-id_72753104	434.163	TXXPDGMPQLYDLD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-163586
CC1=CCC[C@@H]2[C@@H]([C@@H]2COC(=O)NS(=O)(=O)NCCOCCOCC(=O)O)CC1	PC-id_139326448,SCHEMBL21173207,PC-id_163680749	434.172	JKPQGRSATSXCJE-OWCLPIDISA-N	00100000000000000110010000000000000000000000000000000000	22-01-163587
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[Si](F)([C@]12C(C1C[C@H](OC(=O)C)[C@@H]([C@H]2OC(=O)C)C)(COCc1ccccc1)C)(C)C	PC-id_10252503	436.589	UNOKUGWMDMVHPU-DVZWZWNLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-164093
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[Si](Oc1ccc(CC2N(CC3C2(N(C)C)C3)Cc2ccccc2)cc1)(C(C)(C)C)(C)C	PC-id_73090016	436.705	BCBIGIHTZURVTC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164120
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OC[C@@H]1[C@H]2C1CN(C2)Cc1cnc(c(c1)C#N)c1ccc(cc1)C(=O)Nc1ccccc1N	SCHEMBL15482235	439.509	KPCNUOCPLCGVGU-NHXNGRAPSA-N	00100010000000111000110000000000000000000000000000000000	22-01-164478
CCN1CC[C@H](N(/C/1=N/CNC[C@H]1OCC2(C1C2)C)CCc1cccnc1)C(F)(F)F	PC-id_145685641	439.518	JUAMVWCHRDLUBQ-QCCUKXMFSA-N	00100010000010101001010000000000000000000000000000000000	22-01-164479
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C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)CC(=O)NCc1ccccc1	SCHEMBL14056951,PC-id_89238234	439.527	KCGUZPAFVSJYSF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164481
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[Si](OCC1OC(OC)C2OC2C1OC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)(C)C)(C)C	PC-id_73832221	439.532	MOYNBPMIJUVUAM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-164487
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[Si](OC[C@H]1O[C@H](OC)[C@@H]2O[C@@H]2[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)(C)C)(C)C	PC-id_21763630	439.532	MOYNBPMIJUVUAM-MUDKKEKZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-164489
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CC(=O)CCOCCOCCOCCOCCNC(=O)OC[C@@H]1C2C1CCC#CCC2	SCHEMBL18768964	439.542	GIQGAGBEIDKUMG-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-164491
CC(=O)CCOCCOCCOCCOCCNC(=O)OC[C@@H]1[C@H]2[C@@H]1CCC#CCC2	SCHEMBL19369658	439.542	GIQGAGBEIDKUMG-KOUNCHBCSA-N	00100000000000000110010000000000000000000000000000000000	22-01-164492
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Brc1cnc(c(c1)O[C@@H]1C[C@H]2[C@@H](C1)C2)N(C(=O)c1c(F)cccc1Cl)C	SCHEMBL15616454	439.706	BPFXQJUQWJQBHS-PJXYFTJBSA-N	00100010000010111000010000000000000000000000000000000000	22-01-164522
CN(c1ncc(cc1OC1CC2CC2C1)Br)C(=O)c1c(cccc1Cl)F	PC-id_90077994	439.706	BPFXQJUQWJQBHS-UHFFFAOYSA-N	00100010000010111000010000000000000000000000000000000000	22-01-164523
BrC1(Br)C2C1CCCC(Br)(Br)CC2	PC-id_71391842	439.808	KKFHYTPVIQDMKO-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-164524
ON=C(C(NC(=O)C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)(C)C)c1cccc(c1F)Cl	PC-id_117711617	439.908	TXESUAQGICYCLV-NNQSOWQGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164525
O/N=C(C(NC(=O)C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)(C)C)/c1cccc(c1F)Cl	SCHEMBL19724482	439.908	TXESUAQGICYCLV-KROORUDXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164526
ON=C(C(NC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)(C)C)c1cccc(c1F)Cl	SCHEMBL16256065	439.908	TXESUAQGICYCLV-NHAGDIPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164527
O/N=C(C(NC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)(C)C)/c1cccc(c1F)Cl	SCHEMBL18391434	439.908	TXESUAQGICYCLV-NASZLWLKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164528
CC(C)C(OC)OC(=O)C(C12N[I]1N2)I	PC-id_163687780	439.909	JQIMZYPRFZQETF-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-164529
Clc1ccc(CN2CC3C(C3NCCOc3ccc(cc3)CC(C(=O)O)C#N)C2)cc1	PC-id_74325123	439.935	BTONJEQGWIEHFL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164530
Clc1ccc(CN2CC3C(C3NCCOc3ccc(cc3)C[C@H](C(=O)O)C#N)C2)cc1	SCHEMBL4756341,PC-id_69176429	439.935	BTONJEQGWIEHFL-IHIONMKXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164531
Clc1ccc(CN2CC3[C@@H](C3NCCOc3ccc(cc3)C[C@H](C(=O)O)C#N)C2)cc1	PC-id_69176855	439.935	BTONJEQGWIEHFL-RCQCBQKRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164532
Clc1ccc(CN2C[C@@H]3[C@@H](C3NCCOc3ccc(cc3)CC(C(=O)O)C#N)C2)cc1	PC-id_24821617	439.935	BTONJEQGWIEHFL-FKANHJMESA-N	00100010000000110000010000000000000000000000000000000000	22-01-164533
Clc1ccc(CNC2C3C2CN(C3)CCOc2ccc(cc2)CC(C(=O)O)C#N)cc1	PC-id_74325151	439.935	AYJSXMRAJBJKJH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164534
Clc1ccc(CNC2C3[C@@H]2CN(C3)CCOc2ccc(cc2)C[C@H](C(=O)O)C#N)cc1	PC-id_69176871	439.935	AYJSXMRAJBJKJH-RCQCBQKRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164535
Clc1ccc(CNC2[C@H]3[C@@H]2CN(C3)CCOc2ccc(cc2)CC(C(=O)O)C#N)cc1	PC-id_24821677	439.935	AYJSXMRAJBJKJH-FKANHJMESA-N	00100010000000110000010000000000000000000000000000000000	22-01-164536
N#CC(C(=O)O)Cc1ccc(cc1)OCCN1C[C@@H]2[C@H](C1)[C@H]2NCc1ccc(cc1)Cl	SCHEMBL14311469	439.935	AYJSXMRAJBJKJH-RJAODOJYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164537
N#C[C@@H](C(=O)O)Cc1ccc(cc1)OCCN1CC2[C@H](C1)[C@H]2NCc1ccc(cc1)Cl	SCHEMBL4757429	439.935	AYJSXMRAJBJKJH-RTYGZXGLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164538
N#C[C@@H](C(=O)O)Cc1ccc(cc1)OCCN[C@@H]1[C@@H]2C1CN(C2)Cc1ccc(cc1)Cl	SCHEMBL4757409	439.935	BTONJEQGWIEHFL-RTYGZXGLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164539
[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)/[C@]12[C@H](CCCC1=O)O2)(CCCCCCC)OC	CMNPD4131,PC-id_14756341	440.016	DCQVCWXEFXQBGF-OROYOACFSA-N	00100000000010000000010000000000000000000000000000000000	22-01-164540
O=C(NCC(=CCl)C12OC1CCCC2=O)CC/C=C/CC(OC)CCCCCCC	CNP0428244,PC-id_72738935	440.016	DCQVCWXEFXQBGF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-164541
c1ccc(c(c1)C(=O)NC1C(OC(C2C1(O2)O)CO)O)Nc1c(cccc1Cl)Cl	PC-id_163709950	440.054	KIILCNZPSRCCSV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-164542
CCC1NC2CC2=C(S1)NC(=O)COC3=CC(=NN3C4=CC=CC=C4O)C(F)(F)F	PC-id_153642806	440.113	APDIITRPZDRROA-UHFFFAOYSA-N	00100000100011110001110000000000000000000000000000000000	22-01-164543
CC(C)(C)OC(=O)NCC(=O)N[C@]1(C[C@H]([C@@H]2[C@H]1[C@H]2C(=O)O)SC3=NCN=C3)C(=O)O	PC-id_160614843	440.137	RFYLQQSSJCNJPN-MBEDUYFXSA-N	00100011000010000001010000000000000000000000000000000000	22-01-164544
CCC(CC1=C(C=C(C=C1)Br)F)N2C[C@@H]3[C@H](C2)C3CNC(=O)OC(C)(C)C	PC-id_155006503	440.147	FUHSWMVTGKEEKN-OWCVQMPJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164545
C1COCCN1C(=O)[C@@]23C[C@@H]2CN(C3)S(=O)(=O)C4=CN=C(C=C4)OC/C(=CF)/CN	PC-id_153573610	440.153	JYFIGLFCWJMILK-JJRGHVIQSA-N	00100010000010101001010000000000000000000000000000000000	22-01-164546
CCC(C1([C@H]2[C@@H]1CC(C2)[C@H](C3=CC=CC=C3)C(=O)OC)N)NC(=O)C4=CC=C(C=C4)Cl	PC-id_147904607	440.187	IEYDTRFRIRTKMA-GOIGAEDKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-164547
CC[C@H](C1[C@H]2[C@@H]1CC(C2)([C@@H](C3=CC=CC=C3)C(=O)OC)N)NC(=O)C4=CC=C(C=C4)Cl	PC-id_146888305	440.187	SXZCYHSRJVHZFN-ZJZMVKJMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-164548
CC1=NOC(=C1COC(=O)N2C[C@H]3C[C@H]3C2)C4=CC=C(C=C4)O[C@H]5CCC[C@@H](C5)C(=O)O	PC-id_155180609	440.195	PXLZNVFUOGDCEN-GNBUJSLZSA-N	00100010100010110001110000000000000000000000000000000000	22-01-164549
CN1C(=C(N=N1)C2=CC=C(C=C2)OC3CC4C(C3)C4C(=O)O)COC(=O)NC5CCCC5	PC-id_164831211	440.206	XXLCCTUBEQIUFR-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-164550
CCc1ccc(cc1)C(=O)NC(CC)C1[C@@H]2C1CC(C2)(N)Nc1c(ccc(c1)F)[N+](=O)[O-]	PC-id_163879172	440.222	PROVBDLZDOMTEB-KJMLPGSCSA-N	00100010000010110000010000000000000000000000000000000000	22-01-164551
C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCC(=O)[O-])CCC#C1	PC-id_153672634	440.229	MOPSTLKSTPBGBX-UHFFFAOYSA-M	00100000000000000110010000000000000000000000000000000000	22-01-164552
CC/C(=C(/C=C(C=C(/C)C(=O)NC)/C(=O)NC1C2C1COC2)C(CF)C3=CC=CC=C3)/C	PC-id_155238172	440.248	CDWITUDYPFADRQ-ZZZUMXHQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164553
CC(C)(C)OC(=O)C[C@@H](CCO[Si](C)(C)C(C)(C)C)C(=O)N1[C@@H](C[C@@H]2C1C2)C(=O)N	PC-id_160364757	440.271	QAWHRYBSZOSWPP-YKNYVSNTSA-N	00100010000000000000010000000000000000000000000000000000	22-01-164554
CCC(C)C(=O)OCCCCCC(=O)OCCCCCC(=O)OCC1CCC2C(C1)O2	PC-id_160217555	440.277	LNSFHTYDNMTFNK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-164555
Cc1c(nc(cc1)Br)NC(=O)[C@@H]1C[C@]2(C[C@H]2N1C(=O)OC(C)(C)C)C(=O)O	PC-id_135319021,SCHEMBL20488908	440.288	XQCKUYKAJVELHB-CSJMPQKXSA-N	00100010000000101000010000000000000000000000000000000000	22-01-164556
Fc1ccc([C@@H](N2[C@H]3[C@@H](C3)[C@H](NCC(C(=O)N3C(CCC3)C#N)[B]OCN)C2=O)C)cc1	PC-id_70321513	440.299	HAKMQPOYAWOWKY-MSFIPQCLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164557
Fc1ccc(C(N2C3C(C3)C(NCC(C(=O)N3C(CCC3)C#N)[B]OCN)C2=O)C)cc1	PC-id_77822356	440.299	HAKMQPOYAWOWKY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164558
CCC1=CC(=C(C=C1)CC(C)C(C)(F)F)C(=C)N2CC3CC3(C2)/C(=C/C)/N=C(C)C4CC4	PC-id_165122875	440.3	CPUCDNARYGQNPQ-NTIKYIMISA-N	00100010000000110000010000000000000000000000000000000000	22-01-164559
C=CCNC1C2C1CN(C2)C(=O)C(C(I)(C)C)(c1ccccc1)O	PC-id_68713965,SCHEMBL3613222	440.318	PMOHMLNEUXXANF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164560
BrC1C2C1N(C=CC2(Cc1ccccc1)C(=O)OCC)C(=O)c1ccccc1	PC-id_85191053	440.33	IBERJXGCGAUBSQ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-164561
BrC1C2C1N(C=C(C2Cc1ccccc1)C(=O)OCC)C(=O)c1ccccc1	PC-id_85276386	440.33	VIQZLUWUNOGPIY-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-164562
BrC1[C@H]2[C@@H]1N(C=C[C@@]2(Cc1ccccc1)C(=O)OCC)C(=O)c1ccccc1	PC-id_10575092	440.33	IBERJXGCGAUBSQ-OOBQERRSSA-N	00100000000011110000010000000000000000000000000000000000	22-01-164563
Br[C@H]1[C@H]2[C@@H]1N(C=C([C@@H]2Cc1ccccc1)C(=O)OCC)C(=O)c1ccccc1	PC-id_10812992	440.33	VIQZLUWUNOGPIY-VMXMFDLUSA-N	00100000000011110000010000000000000000000000000000000000	22-01-164564
Br[C@@H]1[C@H]2[C@@H]1N(C=C([C@@H]2Cc1ccccc1)C(=O)OCC)C(=O)c1ccccc1	PC-id_10812993	440.33	VIQZLUWUNOGPIY-WJMWBRGCSA-N	00100000000011110000010000000000000000000000000000000000	22-01-164565
CC12CC(N(C1C2)C(=O)OC(C)(C)C)C(=O)Nc1c(ccc(n1)Br)COC	SCHEMBL20487793,PC-id_135317983	440.331	SPTFJDZWDOLXRB-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-164566
B(CC(C(C)C)NC(=O)C12C(CCCCCCCC1N2)CCN=C(N)N[N+](=O)[O-])(O)O	PC-id_87488406	440.345	UTVPAFDEMWSSBE-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-164567
OB(C[C@@H](C(C)C)NC(=O)C12NC2CCCCCCCC1CCNC(=N)N[N+](=O)[O-])O	SCHEMBL3170493	440.345	UTVPAFDEMWSSBE-WMUKIEHLSA-N	00100000000000000100010000000000000000000000000000000000	22-01-164568
C1C2C(C2Nc2nc(nc(n2)Nc2cc(ncc2)C#N)c2nc(ccc2)C(F)(F)F)CO1	SCHEMBL15102585,PC-id_89684175	440.381	KJWSKSOFUVXFNA-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-164569
F[C@@H]1CN(C(=O)CNC2C3C2CN(C3)C(=O)c2ccc(OC(F)(F)F)cc2)[C@@H](C1)C#N	SCHEMBL4889954,PC-id_16224912	440.391	NJLXFICUKIHQPD-DLGUREMHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164570
CC1CCC2C(C2(C1)[N+](C)(C34CC(CCC3C4(C)C)C)C56CC(CCC5C6(C)C)C)(C)C	PC-id_151675743	440.425	QZMCQRVJNBZPEM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-164571
CCCCCCCOc1ccc(cc1C#N)CCC(C(C12OP1(=O)O2)(O)O)(CO)N	PC-id_140537088	440.427	ZQSASEPJELKASY-UHFFFAOYSA-N	00100000000000110001010000000000000000000000000000000000	22-01-164572
CCN1CC2C(C1)C2CN(Cc1cc(c(cc1)F)C(F)(F)F)C(=O)Oc1cn(cn1)C	SCHEMBL15967227,PC-id_90353549	440.434	HLZAXMUHPAZADN-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-164573
OC1CC2CC2CN(C1)S(=O)(=O)c1cc(ccc1F)C(=O)Nc1ccc(c(c1)F)F	PC-id_118230115,SCHEMBL16903184	440.436	ZSDIYNZOVLBKAN-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-164574
OCC(C(OC(OC(C(O)C)CO)CO)CO)OC1OC(COC(=O)C)C2C(C1)O2	PC-id_141783965	440.439	MOIYULLKFXCUCP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-164575
O=C(N[C@@]12C[C@H]1C2C(=C)/C(=CC=C(Oc1ccnc(c1)N)/C)/O)Nc1ccc(cc1F)F	PC-id_138633370	440.443	MROXAZFIHLIGOT-PLEOLLKGSA-N	00101000000000111000010000000000000000000000000000000000	22-01-164576
O=C(N[C@@]12C[C@H]1[C@H]2C(=C)/C(=CC=C(Oc1ccnc(c1)N)/C)/O)Nc1ccc(cc1F)F	SCHEMBL21000404	440.443	MROXAZFIHLIGOT-ROFRQPHCSA-N	00101000000000111000010000000000000000000000000000000000	22-01-164577
CCOC(=O)CON1C2[N+]1(CC(C2)SC(=O)C)C(=O)OCc1ccc(cc1)[N+](=O)[O-]	PC-id_88438684	440.448	ZHEGOJQCAYQAPG-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-164578
CCOC(=O)CON1[C@@H]2[N+]1(C[C@H](C2)SC(=O)C)C(=O)OCc1ccc(cc1)[N+](=O)[O-]	SCHEMBL9279091	440.448	ZHEGOJQCAYQAPG-ZIMDUQAISA-N	00100010000000110001010000000000000000000000000000000000	22-01-164579
CCCCCN(CCN(C1CCC2C1C2C)C(=O)Nc1cc(Cl)cc(c1)Cl)CC	PC-id_142251360	440.45	QWKHGYCRBPJKFR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-164580
CCOC(=O)c1ncccc1OCC12CN(CC2C1)C(=O)C1CCC(CC1)C(F)(F)F	PC-id_66960687,SCHEMBL1238514	440.456	YCVOZJXEPUZKJZ-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-164581
CCOC(=O)c1ncccc1OCC12CN(CC2C1)C(=O)[C@@H]1CC[C@H](CC1)C(F)(F)F	SCHEMBL1238510	440.456	YCVOZJXEPUZKJZ-ZDUKZCGCSA-N	00100010000010101000010000000000000000000000000000000000	22-01-164582
CC(C(C)N)C(C(C(C(C)OC1C(CC([C@@H]2[C@H](C1O)O2)N=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-])O)O	PC-id_137384140	440.458	AKHOVVLLYNPOPW-YZBSXVLBSA-N	00100000000000000100010000000000000000000000000000000000	22-01-164583
[N-]=[N+]=NC(C([C@@H](C(C(N)C)C)O)O)[C@@H](O[C@@H]1C(N=[N+]=[N-])CC([C@@H]2[C@H](C1O)O2)N=[N+]=[N-])C	SCHEMBL20614398	440.458	AKHOVVLLYNPOPW-GYXSXOCASA-N	00100000000000000100010000000000000000000000000000000000	22-01-164584
Fc1c(C[C@@H](NC(=O)C(N)C(C)C)CC(=O)N2C3C(C3)CC2C(=O)N)cc(F)c(F)c1	PC-id_56653342	440.459	QZVZBAMXLFEDEH-QFCDUMKTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164585
Fc1c(CC(NC(=O)C(N)C(C)C)CC(=O)N2C3C(C3)CC2C(=O)N)cc(F)c(F)c1	PC-id_76387619	440.459	QZVZBAMXLFEDEH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164586
Fc1cc(NC(=O)C2C3C2CN(C3)Cc2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1	SCHEMBL4414283,PC-id_69034219	440.467	GEUNNTCSKAWXON-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-164587
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O[C@]12C(C1C[C@H](OC(=O)Nc1ccccc1)[C@@H]([C@H]2OC(=O)Nc1ccccc1)C)(CO)C	PC-id_10343181	440.489	NUDZFSOAIVSRTA-OOHCDHRKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-164590
OC12C(C1CC(OC(=O)Nc1ccccc1)C(C2OC(=O)Nc1ccccc1)C)(CO)C	PC-id_85115942	440.489	NUDZFSOAIVSRTA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-164591
c1ccc(cc1)P(c1ccccc1)CCCCP(C12C=CC=CC1C2)c1ccccc1	PC-id_145694413	440.496	CTIZJSZDVDCFHJ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-164592
Cn1c(SCCCN2CC3C(C2)C3)nnc1c1ccc(cc1)S(F)(F)(F)(F)F	PC-id_143307296	440.497	NBBSLINANVYUPR-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-164593
N#Cc1ccc(nc1C)OC[C@@H]1C[C@H]2C[C@H]2CN1C(=O)c1nc(C)ccc1c1ncccn1	PC-id_49803376,SCHEMBL610589	440.497	LBYHWFMHGZHMPT-AABGKKOBSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164594
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C1CN(C1)S(=O)(=O)NC(=O)c1cc(c(cc1F)OCC12CCC(CC1C2)F)C1CC1	PC-id_90016501,SCHEMBL15536894	440.504	GOBXEZCQNYVATK-UHFFFAOYSA-N	00101000000010110000110000000000000000000000000000000000	22-01-164596
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Fc1c(C(=O)N2C[C@H]3[C@H](C3Nc3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)cccc1F	PC-id_71128892	441.406	AOJKYXRWMZAOQM-RAKKMVLPSA-N	00100010000000111001110000000000000000000000000000000000	22-01-164725
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S(CC1C(NC(=O)OC(C)(C)C)(C2C(C2C(=O)O)C1O)C(=O)O)c1ccc(F)cc1	PC-id_77699108	441.47	GUPCMELVKLEXJF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-164750
OC(=O)C1C2C1CCC2(NC(=O)OC(C)(C)C)C(=O)OCOC(=O)OC1CCCCC1	PC-id_77734433	441.472	GAKFGJNUCVRLSP-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-164751
O=C(OC1CCCCC1)OCOC(=O)[C@@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)O)NC(=O)OC(C)(C)C	SCHEMBL6700139,PC-id_69871122	441.472	GAKFGJNUCVRLSP-ZYKFEASCSA-N	00100010000010000000010000000000000000000000000000000000	22-01-164752
CC1OC(C)CN(C1)C(=O)CN1CC2C(C1)C2CNCc1cccc(c1)OC(F)(F)F	PC-id_66775673,SCHEMBL710518	441.487	RFQIYYJRLPNUOE-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-164753
O=C(C1C2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(CCc1ncccc1C(F)(F)F)(C)C	SCHEMBL19724777	441.487	FRPIVKQWOVLTQR-TUBUQKNSSA-N	00100010000000101000010000000000000000000000000000000000	22-01-164754
O=C(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(CCc1ncccc1C(F)(F)F)(C)C	PC-id_117711535	441.487	FRPIVKQWOVLTQR-VMZNBEPHSA-N	00100010000000101000010000000000000000000000000000000000	22-01-164755
O=C([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(CCc1ncccc1C(F)(F)F)(C)C	SCHEMBL16255969	441.487	FRPIVKQWOVLTQR-HALDLXJZSA-N	00100010000000101000010000000000000000000000000000000000	22-01-164756
Cc1ccc(cc1)S(=O)(=O)OCC(C1C2C(O2)CN1C(=O)OC(C)(C)C)OC(=O)C	PC-id_87861366	441.495	XEJZFHNAUOEKTI-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164757
CC(=O)O[C@@H](C1[C@@H]2O[C@@H]2CN1C(=O)OC(C)(C)C)COS(=O)(=O)c1ccc(cc1)C	PC-id_143391183	441.495	XEJZFHNAUOEKTI-KTBGXXAUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164758
CC(=O)O[C@@H]([C@@H]1[C@@H]2O[C@@H]2CN1C(=O)OC(C)(C)C)COS(=O)(=O)c1ccc(cc1)C	SCHEMBL5592357	441.495	XEJZFHNAUOEKTI-BRSBDYLESA-N	00100010000000110000010000000000000000000000000000000000	22-01-164759
CC(=O)O[C@@H]([C@@H]1[C@H]2O[C@H]2CN1C(=O)OC(C)(C)C)COS(=O)(=O)c1ccc(cc1)C	SCHEMBL5610853	441.495	XEJZFHNAUOEKTI-MLHJIOFPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164760
O=C(N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCC(=C1CCCC1)F)CNc1ccccc1C(=N)C(=O)N	SCHEMBL19159610	441.499	GWNPYQAQQGYWHO-ZMYBRWDISA-N	00100010000000110000010000000000000000000000000000000000	22-01-164761
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1cccc(c1)N(Cc1ccccc1)C(=O)O	PC-id_89238999,SCHEMBL14057891	441.5	LUAXGSLQDGYVRN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164762
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)O	PC-id_89239283,SCHEMBL14058385	441.5	VVBBOPXDDRBKPU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164763
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1cccc(c1)NC(=O)OCc1ccccc1	PC-id_140601017	441.5	LKKKAITWGLPFCA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164764
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)OCc1ccccc1	PC-id_140601044	441.5	PDLSFTYVNYJGPA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164765
C([C@@H]1[C@H]2[C@@H]1CCC#CCC2)OC(=O)NCCOCCOCCOCCOCCC(=O)O	MCULE-7743803345,ZINC22_109280614,SCHEMBL20211474,EMOLS-id_44840313	441.515	MOPSTLKSTPBGBX-ACDBMABISA-N	00100000000000000110010000000000000000000000000000000000	22-01-164766
O(CC1[C@H]2[C@@H]1CCC#CCC2)C(=O)NCCOCCOCCOCCOCCC(=O)O	PC-id_75412405	441.515	MOPSTLKSTPBGBX-YOFSQIOKSA-N	00100000000000000110010000000000000000000000000000000000	22-01-164767
O=C(OCC1C2CCC#CCCC12)NCCOCCOCCOCCOCCC(=O)O	SCHEMBL20211462,PC-id_77078464,MCULE-3421828589,EMOLS-id_44695894	441.515	MOPSTLKSTPBGBX-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-164768
O=C(O)CCOCCOCCOCCOCCNC(=O)OCC1[C@H]2CCC#CCC[C@H]12	ZINC22_96299616	441.515	MOPSTLKSTPBGBX-OALUTQOASA-N	00100000000000000110010000000000000000000000000000000000	22-01-164769
O=C(O)CCOCCOCCOCCOCCNC(=O)OCC1[C@@H]2CCC#CCC[C@@H]12	ZINC22_96299617	441.515	MOPSTLKSTPBGBX-RTBURBONSA-N	00100000000000000110010000000000000000000000000000000000	22-01-164770
O=C(O)CCOCCOCCOCCOCCNC(=O)OC[C@@H]1[C@H]2CCC#CCC[C@@H]12	SCHEMBL20211475,ZINC22_109280617	441.515	MOPSTLKSTPBGBX-PMOLBWCYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-164771
CCOC(=O)[C@@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C)C	SCHEMBL1101554,PC-id_58403673	441.518	XTPOFAHNURCYNO-JNZHDKTOSA-N	00100010000010000000010000000000000000000000000000000000	22-01-164772
NOCC(=O)NCCOCCOCCOCCNC(=O)OC[C@H]1[C@@H]2CCC#CCC[C@H]12	EMOLS-id_324164449	441.518	CJESEDMIVLMLCQ-BWTSREIZSA-N	00100000000000000110010000000000000000000000000000000000	22-01-164773
OC1C2C(C2C)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C)C)(C1)C(=O)OCC	PC-id_76777644	441.518	XTPOFAHNURCYNO-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-164774
N/C=N/C(=C(C(=NC)N)/C)/NCCCC(=N)N(C(=C)c1cc(F)cc2c1C2F)C(=C)C=C	SCHEMBL21442689,PC-id_139564575	441.52	UPBLZGRGAUWEHU-XUDOXLLISA-N	00100000000000100000010000000000000000000000000000000000	22-01-164775
Cc1nc(c(cc1)c1ccccc1)C(=O)N1CC2C(C2=C)CC1COc1cccc(n1)OC	PC-id_91328807	441.522	CPLGYMGFBDGAGH-UHFFFAOYSA-N	00100000000010111000110000000000000000000000000000000000	22-01-164776
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1	SCHEMBL14055963,PC-id_89237364	441.522	BXUUOZSOKJVDSC-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-164777
NC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@H]3C(Cc4ccccc4)N3C2=O)c1	BindingDB_PC-id_471246,BindingDB-id_1273,CHEMBL38093,PC-id_471246	441.522	SKMGKCYNGDWRTO-RVLLKYMJSA-N	00100000000010110001010000000000000000000000000000000000	22-01-164778
OC1C2N(C2Cc2ccccc2)C(=O)N(C1Cc1ccccc1)Cc1cc(ccc1)C(=O)N	PC-id_78188507	441.522	SKMGKCYNGDWRTO-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-164779
O[C@@H]1[C@@H]2N([C@@H]2Cc2ccccc2)C(=O)N([C@@H]1Cc1ccccc1)Cc1cc(ccc1)C(=O)N	PC-id_10789282	441.522	SKMGKCYNGDWRTO-QZFNVYCHSA-N	00100000000010110001010000000000000000000000000000000000	22-01-164780
CN=C(c1ccccc1NCC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@H]1COC(C1)(C)C)C(=O)N	PC-id_145689987	441.523	YJSOIMCLPRAFSO-DTDBQYNISA-N	00100010000000110000010000000000000000000000000000000000	22-01-164781
O=C(N1[C@@H]2C[C@@H]2CC1(C)C(=O)NCC(=O)C(C)(C)C)CNc1ccccc1C(=N)C(=O)N	PC-id_145689974	441.523	JOONAWKLODKFLS-BMUFUXDTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164782
Fc1cc(NCC2C3C2CN(C3)Cc2ccc(OCCO)cc2)ccc1N1CCOCC1	SCHEMBL4424935,PC-id_69038695	441.538	QUJCAWDUYOZMBC-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-164783
POC1C(CCCC2NC2CC(OC(=O)CC(O)C(C(=O)C1C)(C)C)/C(=C/C)/C)C	PC-id_20687981	441.541	YDGGMOXLXHJQLR-NTUHNPAUSA-N	00100000000000000100010000000000000000000000000000000000	22-01-164784
POC1C(CCCC2NC2CC(OC(=O)CC(O)C(C(=O)C1C)(C)C)C(=CC)C)C	PC-id_73696482	441.541	YDGGMOXLXHJQLR-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-164785
POC1C(CCCC2NC2CC(OC(=O)CC(O)C(C(=O)[C@@H]1C)(C)C)/C(=C/C)/C)C	PC-id_59972619	441.541	YDGGMOXLXHJQLR-UGDKVVDUSA-N	00100000000000000100010000000000000000000000000000000000	22-01-164786
CCc1nc(c([nH]1)CN1CC2C(C1)C2CNC(=O)c1ccc(c(c1)F)N1CCOCC1)C	SCHEMBL4412524,PC-id_69033496	441.542	KLRVYNBUBFTLNR-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-164787
Cc1nc(c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@H]3CCCC[C@@H]23)CC1	PC-id_92426838,ZINC22_12229806	441.546	HZZJUWRRGHAJJE-XEWABKELSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164788
Cc1nc(c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1	ZINC22_100201114,PC-id_98072505	441.546	HZZJUWRRGHAJJE-IRXDYDNUSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164789
Cc1nc(c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1	ZINC22_100201118,PC-id_98072508	441.546	HZZJUWRRGHAJJE-IAGOWNOFSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164790
Cc1nc(c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)CC1	ZINC22_248017497	441.546	HZZJUWRRGHAJJE-YRWFTTLQSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164791
Cc1nc(c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1	PC-id_98072515,ZINC22_100201172	441.546	DWAFWTZNNJYQGW-ROUUACIJSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164792
Cc1nc(c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1	ZINC22_100201179,PC-id_98072516	441.546	DWAFWTZNNJYQGW-QZTJIDSGSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164793
Cc1nc(c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@H]3CCCC[C@@H]23)CC1	ZINC22_12229922,PC-id_92426862	441.546	DWAFWTZNNJYQGW-UFRUDQCGSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164794
Cc1nc(c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)CC1	ZINC22_248006388	441.546	DWAFWTZNNJYQGW-RUYXUALKSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164795
Cc1nc(c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1	PC-id_98072520,ZINC22_100201234	441.546	DJDFGWYRVHKPDU-QZTJIDSGSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164796
Cc1nc(c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1	ZINC22_100201229,PC-id_98072519	441.546	DJDFGWYRVHKPDU-ROUUACIJSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164797
Cc1nc(c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@H]3CCCC[C@@H]23)CC1	ZINC22_12230027,PC-id_92426888	441.546	DJDFGWYRVHKPDU-UFRUDQCGSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164798
Cc1nc(c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)CC1	ZINC22_248004979	441.546	DJDFGWYRVHKPDU-RUYXUALKSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164799
Cc1ncc(c(n1)c1ccccn1)S(=O)(=O)N1CCN(CC1)C(=O)C1C2CCCCC12	AOP-18155301,EMOLS-id_350360,PC-id_110223826,MCULE-8607676844	441.546	QRTIAKKMJHCLDY-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164800
Cc1ncc(S(=O)(=O)N2CCN(C(=O)C3[C@H]4CCCC[C@H]34)CC2)c(c2ccccn2)n1	ZINC22_100212892	441.546	QRTIAKKMJHCLDY-IRXDYDNUSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164801
Cc1ncc(S(=O)(=O)N2CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)c(c2ccccn2)n1	ZINC22_100212897	441.546	QRTIAKKMJHCLDY-IAGOWNOFSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164802
Cc1ncc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4CCCC[C@@H]34)CC2)c(c2ccccn2)n1	ZINC22_247966833	441.546	QRTIAKKMJHCLDY-YRWFTTLQSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164803
Cc1nc(ncc1S(=O)(=O)N1CCN(CC1)C(=O)C1C2CCCCC12)c1ccccn1	MCULE-8156200995,EMOLS-id_350220,PC-id_110222298,AEM-18123918	441.546	HZZJUWRRGHAJJE-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164804
Cc1nc(ncc1S(=O)(=O)N1CCN(CC1)C(=O)C1C2CCCCC12)c1cccnc1	PC-id_110222303,EMOLS-id_350278,AEM-18124142,MCULE-4699013523	441.546	DWAFWTZNNJYQGW-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164805
Cc1nc(ncc1S(=O)(=O)N1CCN(CC1)C(=O)C1C2CCCCC12)c1ccncc1	MCULE-5548501009,PC-id_110222308,AEM-18124366,EMOLS-id_350336	441.546	DJDFGWYRVHKPDU-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-164806
CC(=O)CCOCCOCCOCCOCCNC(=O)OCC1C2C1CCC=CCC2	PC-id_134507310,SCHEMBL20149490	441.558	ZJPQOTVBWMWYJF-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-164807
O1C2(C1CC(OC(=O)CC(O)C(C(=O)C(C(O)C(CCC2)C)C)(C)C)C(=O)N(C)C)C	PC-id_18343639	441.558	NDVCKIQNYUUOJM-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-164808
CSc1ccc(cc1)CN1CC2C(C1)C2C(=O)Nc1ccc(c(c1)F)N1CCOCC1	PC-id_69038239,SCHEMBL4423761	441.561	GDJMRIYOVHVIDD-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-164809
NC(CC12CN(CC2C1)Cc1ccccc1)NC(=O)C(c1ccccc1)(c1ccccc1)O	SCHEMBL4683643,PC-id_69143592	441.565	HYXWDEKILNDGFB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-164810
O=C(Cc1ccccc1)CNc1ccc(cc1)CN1CCN(C2C1O2)Cc1ccccc1C	PC-id_143301866	441.565	KQMGIPWULRGKLH-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-164811
C1(C(=O)N(Cc2ccccc2)Cc2c(c3ccccn3)cnc(N(C)C)n2)C2C1CCCC2	ADM-19588958,MCULE-5292125704,EMOLS-id_369610,PC-id_110217370	441.568	FYUQBNNNJXEJTB-UHFFFAOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-164812
CN(C)c1ncc(c2ccccn2)c(CN(Cc2ccccc2)C(=O)C2[C@H]3CCCC[C@H]23)n1	PC-id_98064871,ZINC22_100152838	441.568	FYUQBNNNJXEJTB-SFTDATJTSA-N	00100000000010111001110000000000000000000000000000000000	22-01-164813
CN(C)c1ncc(c2ccccn2)c(CN(Cc2ccccc2)C(=O)C2[C@@H]3CCCC[C@@H]23)n1	PC-id_98064872,ZINC22_100152840	441.568	FYUQBNNNJXEJTB-NHCUHLMSSA-N	00100000000010111001110000000000000000000000000000000000	22-01-164814
CN(C)c1ncc(c2ccccn2)c(CN(Cc2ccccc2)C(=O)C2[C@H]3CCCC[C@@H]23)n1	ZINC22_12089228,PC-id_92410355	441.568	FYUQBNNNJXEJTB-KEVCNVLYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-164815
CN(C)c1ncc(c2ccccn2)c(CN(Cc2ccccc2)C(=O)[C@@H]2[C@H]3CCCC[C@@H]23)n1	ZINC22_248092763	441.568	FYUQBNNNJXEJTB-ZZYHAFTGSA-N	00100000000010111001110000000000000000000000000000000000	22-01-164816
CC[P+](=C)CC([P+](=C)CC)[P+](=C)C(C)(C)CC12C(C(C(C1C2(C)C)C)(C)C)C	PC-id_88884381	441.57	XDSDUVXVFOMSHY-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-164817
CC[P+](=C)C([P+](=C)C(C[C@]12[C@@H](C)C([C@@H](C1C2(C)C)C)(C)C)(C)C)C[P+](=C)CC	PC-id_117669168	441.57	XDSDUVXVFOMSHY-MZELQSEASA-N	00100010000010000000010000000000000000000000000000000000	22-01-164818
CC1CN(CCN1C(=O)C1CCCC1)Cc1cc(cc(c1C)NC(=O)C1C2C1CCC2)F	PC-id_90209421,SCHEMBL17182359	441.581	UJPIXSLXTMELMR-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-164819
CC1CN(CCN1C(=O)C1CCCC1)Cc1c(ccc(c1C)NC(=O)C1C2C1CCC2)F	SCHEMBL17182236,PC-id_90209437	441.581	XDLVIADRQONNPV-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-164820
CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)CC12C=CC(=CC2C1)F)C	PC-id_70331626,SCHEMBL8280207	441.581	OMUOCDGGGDGNDG-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-164821
Fc1cc(CN2CCN([C@H](C2)C)C(=O)C2CCCC2)c(c(c1)NC(=O)C1C2C1CCC2)C	SCHEMBL15783833	441.581	UJPIXSLXTMELMR-GHQNKDIBSA-N	00100010000010110001010000000000000000000000000000000000	22-01-164822
O=C(C1C2C1CCC2)Nc1ccc(c(c1C)CN1CCN([C@H](C1)C)C(=O)C1CCCC1)F	SCHEMBL15783854	441.581	XDLVIADRQONNPV-QHVIDTJBSA-N	00100010000010110001010000000000000000000000000000000000	22-01-164823
CCCCCOC1=CC=C(C2C1C2)Cc1cnsc1c1cc(OC)c(cc1OC)OC	PC-id_143470138	441.583	JAHZCYQZDIFGIR-UHFFFAOYSA-N	00100000100011110001110000000000000000000000000000000000	22-01-164824
Cc1ccc(cc1)C[N+]1(C)CC2C(C1)C2CNC(=O)C(c1ccccc1)(c1ccccc1)O	SCHEMBL3201433,PC-id_25031466	441.585	OJSRDBDHYFMBPN-UHFFFAOYSA-O	00100010000010110000010000000000000000000000000000000000	22-01-164825
CCN1C(=O)C(S/C/1=C(C(=O)N)/C#N)CNC1=CC=C(C2C1C2)CCN1CCCCC1	PC-id_143042931	441.59	YTCDYRMLGJIFQB-NKFKGCMQSA-N	00100010000011000001010000000000000000000000000000000000	22-01-164826
CNC(CC1CCCCC1)C(=O)[N+]1(CCC2C1(C2)C(=O)N)Cc1ccc(cc1)N=C(N)N	PC-id_88125732	441.59	VNCIIWJCSDDIJQ-UHFFFAOYSA-O	00100010000010110000010000000000000000000000000000000000	22-01-164827
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CCOC(=O)C1[C@H]2[C@@H]1[C@@H](CC2)OC3=CN=C(C=C3)C4=C(N(N=N4)C)COC5CCCCO5	PC-id_164831227	442.222	VEQMJNYNINEPMJ-NGJFYZQRSA-N	00100010100010101001110000000000000000000000000000000000	22-01-164864
CC12CC[C@H](CC1(C2)C)CC3=NC(=NC=C3C#N)NCC4=CN=CN=C4OCC(C)(F)F	PC-id_162132391	442.229	CSIFYKVIHOLAME-NYMDZQDESA-N	00100000000010100001010000000000000000000000000000000000	22-01-164865
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C1CCCC(CC1)ONC(=O)CCCCCCNC2=C(C3C(C2=O)O3)NC4=CC=NC=C4	PC-id_149282004	442.258	XTDFTKCQERJMGH-UHFFFAOYSA-N	00100011000000101100010000000000000000000000000000000000	22-01-164868
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S(=O)(=O)(c1ccc(c2ccc(OCC3[C@@H]4[C@H]3CN(C4)C(=O)OC(C)(C)C)cc2)cc1)C	PC-id_56959999	443.556	CZBNXLWTLZRDGK-CBQGHPETSA-N	00100010000000110000110000000000000000000000000000000000	22-01-165131
Cc1ccc(cc1)S(=O)(=O)N1C[C@H]2[C@@](C1)([C@@H]2/C=C/c1ccccc1)C(=O)c1ccccc1	PC-id_101796524,4106135_OpenMolecule	443.557	CRGXRGLLGIFKEE-PSSOMHLGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-165132
CCc1ccc(s1)CN1CC2C(C1)C2CNC(=O)c1ccc(c(c1)F)N1CCOCC1	PC-id_69037755,SCHEMBL4422514	443.577	IOMTXPGKMVDVJK-UHFFFAOYSA-N	00100010100110110001110000000000000000000000000000000000	22-01-165133
O1C2C1CCCC2OCCc1ccc(N(c2ccc(cc2)CCO)c2ccc(cc2)C)cc1	PC-id_60032015	443.577	KLJRQBUPQPNYDY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-165134
O=C(C1C2C1CCC2)NC1CC=C(C(=C1C)CN1CCN([C@H](C1)C)C(=O)C1CCCC1)F	SCHEMBL18658663	443.597	CXKUFUAXWITLHF-IVLBEDMISA-N	00100010000011000001010000000000000000000000000000000000	22-01-165135
OC[C@@H]1[C@H]2[C@@H]1CCC=C(CC2)S(=O)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	PC-id_102139557	443.597	RGSVFPUOEAMPKR-XARWZUDXSA-N	00100000000000000110010000000000000000000000000000000000	22-01-165136
ClC1(Cl)[C@H]2[C@@H]1[C@@H]([C@@H](CCC2)O[Si](C(C)(C)C)(C)C)[Si](c1ccccc1)(C)C	PC-id_101749483	443.598	LDZZMTJEGSSTHS-UAFMIMERSA-N	00100000000000110100010000000000000000000000000000000000	22-01-165137
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1cc(c(cc1)NCC1C2C1COC2)N	PC-id_137440422,SCHEMBL20677625	443.602	SEYVCIQNZCYFSN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-165138
CCc1ccc(cc1)N(S(=O)(=O)c1ccc(c(c1)N)NCC1[C@@H]2[C@H]1COC2)CC(C)C	PC-id_121427981	443.602	SEYVCIQNZCYFSN-FRIKZZABSA-N	00100010000000110000010000000000000000000000000000000000	22-01-165139
CCc1ccc(cc1)N(S(=O)(=O)c1ccc(c(c1)N)NC[C@@H]1[C@@H]2[C@H]1COC2)CC(C)C	SCHEMBL17859192	443.602	SEYVCIQNZCYFSN-DKUWSORSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-165140
NC(=S)Nc1ccc(cc1)CNC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H](CC1CCCCC1)N	PC-id_139845523	443.605	ITPAYZCQOLBRNC-BOCKYXSRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-165141
Fc1cc(NCC2C3C2CN(C3)CC2CCC(CC2)C(C)(C)C)ccc1N1CCOCC1	SCHEMBL4412323,PC-id_69033422	443.64	BYCFUDINJPZUDM-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-165142
CCC(C(C)(C)C)NC(=C)NC(C1(C)CCCCC1)C(=C)N1C[C@H]2[C@@H](C1C(=O)C)C2(C)C	PC-id_143360966	443.708	IPTJMJQHQOGDRA-LWWYKKQNSA-N	00100010000010000000010000000000000000000000000000000000	22-01-165143
BrCCCCC(=O)N[C@@H]1C[C@@H]([C@H]2C1C2)NC(=O)COc1ccc(cc1)Cl	SCHEMBL20632001,PC-id_137400295	443.762	GERXWVWUXVVMGS-IFFAKLHKSA-N	00100010000010110000010000000000000000000000000000000000	22-01-165144
CC1CCC2C(C2(C1)[S+](C12CC(CCC1C2(C)C)C)C12CC(CCC1C2(C)C)C)(C)C	PC-id_92043175	443.791	RGSZMTQAHFQKSE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-165145
Clc1c(Nc2ncnc(OC3C4C(N(C3)C(=O)OC3(CC3)C)C4)c2F)ccc(c1)C#N	SCHEMBL10134327,PC-id_46931577	443.859	FLQAFBFYAGYESZ-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-165146
Clc1c(Nc2ncnc(OC3C4C(N(C3)C(=O)OC3(CC3)C)C4)c2F)ccc([N+]#[C-])c1	SCHEMBL10116683,PC-id_58061850	443.859	WWCHQAMNUONDLO-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-165147
CC1([C@H]2[C@@H]1CC(C2)N(CCc1c(cncc1F)Cl)C(=N)c1c([nH]nc1)C(F)(F)F)C	PC-id_137283588	443.869	NKLAIFTUXPBKFR-FTNCPSPGSA-N	00100010100010101001010000000000000000000000000000000000	22-01-165148
N=C(c1cn[nH]c1C(F)(F)F)N([C@@H]1C[C@H]2[C@@H](C1)C2(C)C)CCc1c(F)cncc1Cl	SCHEMBL20103911	443.869	NKLAIFTUXPBKFR-ZOZIMZAQSA-N	00100010100010101001010000000000000000000000000000000000	22-01-165149
Cc1nc(c(s1)c1cc(ccc1)Cl)C(=O)N1CC2CC2C1CNC(=O)C(F)(F)F	PC-id_86644207,SCHEMBL2923986	443.87	VWPVVCXZSKJNHG-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165150
Cc1nc(c(s1)c1cc(ccc1)Cl)C(=O)N1C(CC2C1C2)CNC(=O)C(F)(F)F	PC-id_86653643	443.87	KVITWRZAIAIUBK-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165151
Cc1sc(c(n1)C(=O)N1[C@H](CNC(=O)C(F)(F)F)C[C@H]2C1C2)c1cccc(c1)Cl	SCHEMBL1572230	443.87	KVITWRZAIAIUBK-LXKBMQFRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165152
Cc1sc(c(n1)C(=O)N1[C@H](CNC(=O)C(F)(F)F)C[C@H]2[C@@H]1C2)c1cccc(c1)Cl	SCHEMBL1572227	443.87	KVITWRZAIAIUBK-XBFCOCLRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165153
Cc1sc(c(n1)C(=O)N1[C@H](CNC(=O)C(F)(F)F)C[C@@H]2[C@@H]1C2)c1cccc(c1)Cl	SCHEMBL1572229	443.87	KVITWRZAIAIUBK-UBHSHLNASA-N	00100010100000110001110000000000000000000000000000000000	22-01-165154
Clc1cc(c2sc(nc2C(=O)N2[C@H]([C@@H]3[C@@H](C3)C2)CNC(=O)C(F)(F)F)C)ccc1	PC-id_57489342	443.87	VWPVVCXZSKJNHG-UBHSHLNASA-N	00100010100000110001110000000000000000000000000000000000	22-01-165155
Clc1cc(c2sc(nc2C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)CNC(=O)C(F)(F)F)C)ccc1	PC-id_59153359,SCHEMBL2923991	443.87	VWPVVCXZSKJNHG-MRVWCRGKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165156
Clc1cccc(c1)c1sc(nc1C(=O)N1C[C@H]2C([C@H]1CNC(=O)C(F)(F)F)C2)C	SCHEMBL1339778	443.87	VWPVVCXZSKJNHG-JDZGAICCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165157
Clc1cccc(c1)c1sc(nc1C(=O)N1C[C@@H]2C([C@H]1CNC(=O)C(F)(F)F)C2)C	SCHEMBL2923995	443.87	VWPVVCXZSKJNHG-AODWJNRKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165158
Clc1cccc(c1)c1sc(nc1C(=O)N1C[C@H]2[C@@H]([C@H]1CNC(=O)C(F)(F)F)C2)C	SCHEMBL1339775	443.87	VWPVVCXZSKJNHG-FPMFFAJLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165159
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C2C1(C2/C=C(/C(F)(F)C)Cl)C	PC-id_143836820	443.87	QABASQSCOMFLCZ-UMFZUEKASA-N	00101000000000110000010000000000000000000000000000000000	22-01-165160
NC(=O)Nc1sc(c(c1C(=O)N)C)c1ccc(cc1)OCOC1c2c1ccc(c2)Cl	PC-id_145861549	443.903	RUXLXZVYNGSKPM-UHFFFAOYSA-N	00100000100100110000110000000000000000000000000000000000	22-01-165161
OC[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]([C@H]2[C@@H]1O2)OCc1ccccc1	PC-id_101432127	446.535	PIBHUJIDJZGWDM-BUNJHDQMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-165678
OC[C@@H]1C[C@H](N=O)C[C@@H](O1)c1ccc(c(c1)Cc1ccc(cc1)OC1C2C1COC2)Cl	PC-id_122447892,SCHEMBL17969846	443.92	DYCIDHHYSWLTLF-XUQXGPKUSA-N	00100010000010110000110000000000000000000000000000000000	22-01-165162
Clc1ccc(cc1)CN1CC2C(C1)C2CNC(=O)c1ccc(c(c1)F)N1CCOCC1	PC-id_69088686,SCHEMBL4552123	443.941	YRRDHIMTHNUXLE-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-165163
CC1CN(CCN1C(=O)C1CCCC1)Cc1c(c(ccc1)NC(=O)C1C2C1CCC2)Cl	SCHEMBL17182303,PC-id_90204515	444.009	KKUHGWAXADLWMV-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-165164
O=C(C1C2C1CCC2)Nc1cccc(c1Cl)CN1CCN([C@H](C1)C)C(=O)C1CCCC1	SCHEMBL15777443	444.009	KKUHGWAXADLWMV-JWIWNDOOSA-N	00100010000010110001010000000000000000000000000000000000	22-01-165165
[O-][P+]1=C2C1(Br)N(CC2)[P+](N1CCCC1)(N1CCCC1)Br	PC-id_141524142	444.062	XOJYYCZNACRDEC-UHFFFAOYSA-N	00110010000000000000010000000000000000000000000000000000	22-01-165166
C1=CC(=CC=C1N)OC2C3=C2C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)N	PC-id_148336841	444.114	LFWSIJUAEWZDAM-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-165167
CCC(C1C2C1CC(C2)NC3=C(C=C(C=C3)F)CC(=O)O)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153289044	444.162	AHWJNVGHNWPZLJ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-165168
CCC(C1[C@H]2[C@@H]1CC(C2)NC3=C(C=C(C=C3)F)CC(=O)O)NC(=O)C4=CC=C(C=C4)Cl	PC-id_146946403	444.162	AHWJNVGHNWPZLJ-IHOXFSEJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-165169
COc1c(c(cc(c1)C(F)(F)F)SC)C(=O)N[C@@H]1COCCC1CN1CCC2C1C2	PC-id_163551640	444.169	FJOAFISSKQYPSO-MKUJRZGVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-165170
CC[Si](CC)(CC)OC(CCC1C[C@@H]2[C@H](C1)C2(C)C)C3=C(C=C(C=C3Cl)F)Cl	PC-id_161093522	444.182	TXVJRKDVWVHIQS-ZHFRAHACSA-N	00100010000010110000010000000000000000000000000000000000	22-01-165171
CC[Si](CC)(CC)OC(CCC1C[C@@H]2[C@H](C1)C2(C)C)C3=C(C=CC(=C3Cl)F)Cl	PC-id_161656795	444.182	XALZXRFYWAFBFL-PAVWBUCMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-165172
CC1=CC(=C(C=C1F)[C@@H](C2COC2)NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)C5=C(C=NN5C)C)F	PC-id_160808476	444.197	SDZUOYUWZVVVHU-WNISUXOKSA-N	00101010100000110001010000000000000000000000000000000000	22-01-165173
C[Si](C)(C=C)O[Si](C)(C)O[Si](C)(CCC1CCC2C(C1)O2)O[Si](C)(C)C=C	PC-id_163982561	444.2	IWGBQECIKOJZND-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-165174
C[C@]12CC[C@H](CC1(O2)C)CC3=NC(=NC=C3C#N)NCC4=CN=CN=C4OCC(C)(F)F	PC-id_148980565	444.209	PVQOQTIRJPBNHR-DOXMUZONSA-N	00100000000010100001010000000000000000000000000000000000	22-01-165175
C[C@@]12CC[C@H](CC1(O2)C)CC3=NC(=NC=C3C#N)NCC4=CN=CN=C4OCC(C)(F)F	PC-id_148980566	444.209	PVQOQTIRJPBNHR-FQXNVOHASA-N	00100000000010100001010000000000000000000000000000000000	22-01-165176
CC12CC[C@H](CC1(O2)C)CC3=NC(=NC=C3C#N)NCC4=CN=CN=C4OCC(C)(F)F	PC-id_160322528	444.209	PVQOQTIRJPBNHR-YJPTXTSQSA-N	00100000000010100001010000000000000000000000000000000000	22-01-165177
CCCC(=O)N1C[C@@H]2[C@H](C1)C2C#Cc1ccc(cc1)c1cc(no1)Cn1ccnc1[C@H](C)O	PC-id_163811788	444.216	WWVVRTOAHHMOBX-BOSCWZPRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165178
CCOC(=O)/C(=C/1[C@@H]2C[C@@H]2CC1=NCC(=O)N3CC[C@H](C[C@H]3C)OC4=C(C=CC=N4)F)/N	PC-id_153536443	444.217	CXBQCGRJVXQFNC-CDRFOWQMSA-N	00100010000010101000010000000000000000000000000000000000	22-01-165179
CC(C)C1=CN=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3C4CC4CN3C(=O)CC5=NNN=C5	PC-id_165140248	444.227	YHLHVGOXHOBLPL-UHFFFAOYSA-N	00100010100000111001010000000000000000000000000000000000	22-01-165180
CCCOC1=C2C(=C(C=C1)C(CCCCC3=CC=CC=C3)C4=C5C(=C(C=C4)OCCC)O5)O2	PC-id_153841809	444.23	COIDXPMDNZAYMD-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-165181
CC(C)(C#N)C1=CC=C(C=C1)C(=O)N2CC3C(C2)C3C[N-]C4=CN=C(C=C4)N5CCOCC5	PC-id_162146931	444.24	ZKRHQJUPVCHCOF-UHFFFAOYSA-N	00100010000010111001110000000000000000000000000000000000	22-01-165182
C[C@H]1[C@H]2C1C(=NC=C2)COC1CCCC(C1)CC1([C@@H](SC(=C1C1C(N1)N)NC)C=O)C	PC-id_163696978	444.256	JXTLBGFTNMAJOR-DBGVULQISA-N	00100011000011000000110000000000000000000000000000000000	22-01-165183
CC1CCCC2(C(O2)(C(CNC(=O)CCC(C(=O)CC1)(C)C)C=CC3=CC=CC=N3)F)C	PC-id_152748865	444.279	LVGXLVKIILXBNX-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-165184
Cn1cccc(c1=O)NC1=NC2(CN2C=C1Br)Nc1ccc(cc1)C(=O)OC	PC-id_90225149,SCHEMBL15804035	444.282	GCIKAENMXJKHKV-UHFFFAOYSA-N	00100000000011111001010000000000000000000000000000000000	22-01-165185
Clc1cc(COC2(C3(C(C3)C(Sc3[nH]ncn3)C2)C(=O)O)C(=O)O)ccc1Cl	PC-id_69672316,SCHEMBL6120460	444.289	JYGYONHZUZCTDA-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-165186
C1C[C@@H]([C@@H]([C@H](C(=O)C([C@H](C(C(=O)OC(C[C@H]2[C@@](C1)(O2)N)/C(=C/N)/N)N)N)(N)N)N)N)N	PC-id_163785644	444.292	MSGZXXWFKMVQKX-IZKQOKBBSA-N	00100000000000000100010000000000000000000000000000000000	22-01-165187
CC1([C@H]2C1CN([C@@H]2C(=O)C[C@@H](CCC#C)C(C(=O)CCC=C)O)C(=O)[C@H](C(C)(C)C)N)C	PC-id_160620662	444.299	ZKLZPBOEFHHHTE-GQOLDARFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-165188
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CCC1(CC1)N(CCC(C)C)C(=O)CN=CCC3CC3/C2=C(C(=O)N4CCC(CC4)O)/N	PC-id_153600401	444.31	FMCKIQGAJVANAJ-IGOSSGNZSA-N	00100010000010000000010000000000000000000000000000000000	22-01-165190
CC[C@@](C)(CCCN(CN[C@H](N)OC1CC[C@H]2CN2C1)CSCC)OCC(C)(C)C	PC-id_163895415	444.35	QFECHJAPOSJFOD-MPIYJJAXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-165191
BrC1CC2C(C2(C)C)CC1(OC1C(N(C1=O)C=CC)C=Cc1ccccc1)C	PC-id_72976283	444.404	AMLUVVAGHSINAB-UHFFFAOYSA-N	00101000000010110000010000000000000000000000000000000000	22-01-165192
Br[C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(O[C@@H]1[C@@H](N(C1=O)/C=C/C)/C=C/c1ccccc1)C	PC-id_11476292	444.404	AMLUVVAGHSINAB-BYLGDSGCSA-N	00101000000010110000010000000000000000000000000000000000	22-01-165193
C/C=C/N1C(=O)[C@H]([C@H]1/C=C/c1ccccc1)O[C@]1(C)C[C@H]2[C@@H](C[C@H]1Br)C2(C)C	PC-id_101164781	444.404	AMLUVVAGHSINAB-ZBACDSQXSA-N	00101000000010110000010000000000000000000000000000000000	22-01-165194
FC(F)(F)c1cc(OCC2N(CC3C(C3)C2)C(=O)c2ncccc2n2nccn2)ncc1	PC-id_75282605	444.41	YDTWIGGHSCNKPX-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-165195
FC(F)(F)c1cc(OC[C@H]2N(C[C@@H]3[C@@H](C3)C2)C(=O)c2ncccc2n2nccn2)ncc1	PC-id_49803103,SCHEMBL609703	444.41	YDTWIGGHSCNKPX-LZWOXQAQSA-N	00100000100010101001110000000000000000000000000000000000	22-01-165196
FC(F)(F)c1cc(OC[C@H]2N(C[C@H]3[C@@H](C3)C2)C(=O)c2ncccc2n2nccn2)ncc1	SCHEMBL608790,PC-id_66742283	444.41	YDTWIGGHSCNKPX-DZKIICNBSA-N	00100000100010101001110000000000000000000000000000000000	22-01-165197
C1C2C(C2CNCc2cc(ccc2)OC(F)(F)F)CN1Cc1ccc(cc1)C(F)(F)F	PC-id_87145258,SCHEMBL708602	444.413	JXXOUFWOFSMMMB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-165198
FC(F)(F)C(OC)(C(=O)OC1C(C(C2(OC2C1)C)COC(=O)C)(C)C)c1ccccc1	PC-id_85191129	444.441	VTQPQTXPZBIZSF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-165199
FC(F)(F)[C@](OC)(C(=O)O[C@H]1C([C@H]([C@]2(O[C@H]2C1)C)COC(=O)C)(C)C)c1ccccc1	PC-id_10575275	444.441	VTQPQTXPZBIZSF-IJERAIBMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-165200
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FC(F)(F)c1ccc(CN2C3C(C3)C[C@@H]2C(=O)NC2(CC2)c2ccc(cc2)C(=O)O)cc1	PC-id_71204676,SCHEMBL14555931	444.446	YYFXPHNRFOKRDQ-RRWXTXHCSA-N	00100010000000110000110000000000000000000000000000000000	22-01-165203
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Brc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=NNC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_1692887	446.294	JGZLWBWLHFZSFN-SAUDRBHISA-N	00100000101010110000110000000000000000000000000000000000	22-01-165571
Brc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/NC(=O)[C@@H]1[C@H]2[C@]1(C)CCCC2	CoCoCo_1692888	446.294	JGZLWBWLHFZSFN-BVNRNSLPSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165572
Brc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=NNC(=O)[C@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_1692889	446.294	JGZLWBWLHFZSFN-LJSCJVIFSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165573
Brc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=NNC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_1692890	446.294	JGZLWBWLHFZSFN-DARDVUJXSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165574
Brc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/NC(=O)[C@@H]1[C@@H]2[C@@]1(C)CCCC2	CoCoCo_1692891	446.294	JGZLWBWLHFZSFN-DLVKNRNASA-N	00100000101010110000110000000000000000000000000000000000	22-01-165575
Brc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=NNC(=O)[C@H]1[C@@H]2[C@]1(C)CCCC2	PC-id_98070066	446.294	JGZLWBWLHFZSFN-CFNYCBHXSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165576
Brc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=NNC(=O)[C@H]1[C@H]2[C@@]1(C)CCCC2	PC-id_98070068	446.294	JGZLWBWLHFZSFN-QJACYKDBSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165577
Brc1cc([N+](=O)[O-])c(c2oc(C=NNC(=O)[C@@H]3[C@]4([C@@H]3CCCC4)C)cc2)cc1	PC-id_27234285	446.294	JGZLWBWLHFZSFN-XFQXTVEOSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165578
Brc1cc([N+](=O)[O-])c(c2oc(C=NNC(=O)[C@@H]3[C@@]4([C@H]3CCCC4)C)cc2)cc1	PC-id_27234287	446.294	JGZLWBWLHFZSFN-CVAIRZPRSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165579
C12(CCCCC1C2C(=O)NN=Cc1ccc(c2ccc(cc2Br)N(=O)=O)o1)C	PC-id_3780363,MCULE-2006898188	446.294	MRCJFALIWMVDDH-UHFFFAOYSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165580
C12(CCCCC1C2C(=O)NN=Cc1ccc(c2ccc(cc2N(=O)=O)Br)o1)C	MCULE-4658689622,PC-id_5234151	446.294	JGZLWBWLHFZSFN-UHFFFAOYSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165581
CC12CCCCC1C2C(=O)N/N=C/c1ccc(o1)c1ccc(Br)cc1[N+](=O)[O-]	TIMTEC237547,PC-id_9613239,EMOLS-id_26954763	446.294	JGZLWBWLHFZSFN-SSDVNMTOSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165582
CC12CCCCC1C2C(=O)N/N=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]	PC-id_9635613,TIMTEC316847,EMOLS-id_1779140	446.294	MRCJFALIWMVDDH-SSDVNMTOSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165583
O=C([C@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]	CoCoCo_6561562	446.294	MRCJFALIWMVDDH-SSNBBSKJSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165584
O=C([C@H]1[C@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]	CoCoCo_6561563	446.294	MRCJFALIWMVDDH-GWXVHGFFSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165585
O=C([C@H]1[C@H]2[C@]1(C)CCCC2)N/N=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]	CoCoCo_6561564	446.294	MRCJFALIWMVDDH-MJGLRYBLSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165586
O=C([C@@H]1[C@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]	CoCoCo_6561565	446.294	MRCJFALIWMVDDH-SAUDRBHISA-N	00100000101010110000110000000000000000000000000000000000	22-01-165587
O=C([C@@H]1[C@H]2[C@]1(C)CCCC2)N/N=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]	CoCoCo_6561566	446.294	MRCJFALIWMVDDH-BVNRNSLPSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165588
O=C([C@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]	CoCoCo_6561567	446.294	MRCJFALIWMVDDH-LJSCJVIFSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165589
O=C([C@@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]	CoCoCo_6561568	446.294	MRCJFALIWMVDDH-DARDVUJXSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165590
O=C([C@@H]1[C@@H]2[C@@]1(C)CCCC2)N/N=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]	CoCoCo_6561569	446.294	MRCJFALIWMVDDH-DLVKNRNASA-N	00100000101010110000110000000000000000000000000000000000	22-01-165591
O=C([C@H]1[C@@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]	PC-id_98104223	446.294	MRCJFALIWMVDDH-CFNYCBHXSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165592
O=C([C@H]1[C@H]2[C@@]1(C)CCCC2)N/N=Cc1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-]	PC-id_98104225	446.294	MRCJFALIWMVDDH-QJACYKDBSA-N	00100000101010110000110000000000000000000000000000000000	22-01-165593
CCc1c(cccc1C(C1=CC=CCC1)C1=CCCC=C1)C(C1CCC2C1C2)c1ccccc1	PC-id_163591782	446.297	GQCDVFWBMZKZJP-UHFFFAOYSA-N	00100010000011110000010000000000000000000000000000000000	22-01-165594
C[C@@H](C1CCCCC1)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)CC(CC4CCC4)C(C(=O)N)O)C3(C)C	PC-id_161085960	446.314	ZADULAHMSMTCSR-BGCVGHATSA-N	00101010000010000000010000000000000000000000000000000000	22-01-165595
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)OC(C)(C)C)C2)Nc1cccc(c1F)B1OC(C(O1)(C)C)(C)C	PC-id_140887083	446.32	ILZUEJSOEQMBGH-XYPHTWIQSA-N	00100010000000110001110000000000000000000000000000000000	22-01-165596
CC1CCC2C(C2(C1)OCN3CC(N(C(C3)C)COC45CC(CCC4C5(C)C)C)C)(C)C	PC-id_154279788	446.387	CLNYVWOIYSFFBT-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-165597
CC1C(C2C(O2)(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C	PC-id_88860639	446.403	RYANYHBQDXMAHT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-165598
COC(=O)[C@]12O[C@@H]([C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)[C@@H]([C@H]([C@@H]2O1)OC(=O)C)C	SCHEMBL11962030	446.403	RYANYHBQDXMAHT-VQSOUNKISA-N	00100000000010000000010000000000000000000000000000000000	22-01-165599
O=C(c1ccc(c2c1c2=O)OOc1ccc(c2c1c2=O)C(=O)c1ccccc1)c1ccccc1	PC-id_139899361	446.407	CRGSFDFAJDSBRN-UHFFFAOYSA-N	00010000000000110000010000000000000000000000000000000000	22-01-165600
CCCN1C(=O)[C@@H]([C@@H]1/C=C/c1ccccc1)O[C@]1(C)C[C@H]2[C@@H](C[C@H]1Br)C2(C)C	PC-id_101164771	446.42	OVYNTWHDSXQGAU-MHFILJSBSA-N	00101000000010110000010000000000000000000000000000000000	22-01-165601
CCCN1C(=O)[C@H]([C@H]1/C=C/c1ccccc1)O[C@]1(C)C[C@H]2[C@@H](C[C@H]1Br)C2(C)C	PC-id_101164777	446.42	OVYNTWHDSXQGAU-RGYVBXIVSA-N	00101000000010110000010000000000000000000000000000000000	22-01-165602
C=C/C(=C(N=C1CC(=O)C(=CN1c1ccc(cc1F)F)C(=O)O)/CN1C[C@@H]2[C@H](C1)C2N)/F	PC-id_142098420	446.422	AYJDRMKNXHRFHJ-NEGDUBONSA-N	00100010000011110000110000000000000000000000000000000000	22-01-165603
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)C1CCC2C(N1Cc1ccc(cc1)C(F)(F)F)C2	PC-id_71186334,SCHEMBL14486482	446.462	ZKQTWQCSJKZHFV-RVEGMMTJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-165604
C[C@H](NC(=O)[C@H]1CCC2CC2N1Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)O	SCHEMBL14556046,BindingDB_PC-id_71204738,PC-id_71204738,BindingDB-id_342453	446.462	ZKQTWQCSJKZHFV-LAFCKDTASA-N	00100000000010110000010000000000000000000000000000000000	22-01-165605
COC(=O)c1ccc(cc1)[C@@H](NC(=O)C1CC2C(N1Cc1ccc(cc1)C(F)(F)F)C2)C	SCHEMBL14486361,PC-id_71186243	446.462	OXVJPSUSCJDDAN-RVEGMMTJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-165606
COC(=O)c1ccc(cc1)[C@@H](NC(=O)C1N(CC2C1C2)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL14486457,PC-id_71186314	446.462	JOHMFWRODKJSSV-RVEGMMTJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-165607
COC(=O)c1ccc(cc1)[C@@H](NC(=O)[C@H]1CC2C(N1)(C2)Cc1ccc(cc1)C(F)(F)F)C	PC-id_142766322	446.462	HWNLEMAWFRUJCF-KXWQBXHISA-N	00100010000000110000010000000000000000000000000000000000	22-01-165608
COC(=O)c1ccc(cc1)[C@@H](NC(=O)[C@H]1CC2C(N1Cc1ccc(cc1)C(F)(F)F)C2)C	PC-id_71204658,SCHEMBL14555905	446.462	OXVJPSUSCJDDAN-DURQXWAESA-N	00100010000000110000010000000000000000000000000000000000	22-01-165609
FC(F)(F)C1=CCCC(=C1)CN1C2C(C2)CC1C(=O)NC1(CC1)c1ccc(cc1)C(=O)O	PC-id_78024197	446.462	MWQWBXQNRTZKNC-UHFFFAOYSA-N	00100010000011110000110000000000000000000000000000000000	22-01-165610
FC(F)(F)C1=CCCC(=C1)CN1[C@H]2C(C2)C[C@@H]1C(=O)NC1(CC1)c1ccc(cc1)C(=O)O	SCHEMBL14486483,PC-id_71186335	446.462	MWQWBXQNRTZKNC-ODFWGIBRSA-N	00100010000011110000110000000000000000000000000000000000	22-01-165611
FC(F)(F)c1ccc(CN2C3C(C3)CC2C(=O)NC(C)c2ccc(cc2)C(=O)OC)cc1	PC-id_78024173	446.462	OXVJPSUSCJDDAN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-165612
FC(F)(F)c1ccc(CN2C3C(C3)CCC2C(=O)NC(C)c2ccc(cc2)C(=O)O)cc1	PC-id_78024196	446.462	ZKQTWQCSJKZHFV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-165613
FC(F)(F)c1ccc(CN2C(C3C(C3)C2)C(=O)NC(C)c2ccc(cc2)C(=O)OC)cc1	PC-id_78024185	446.462	JOHMFWRODKJSSV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-165614
CC(C)(C)OC(N1C[C@@H]2[C@H](C1)C2C(=O)NC(C)(C)COc1c(ccnn1)C(F)(F)F)O	PC-id_134398364	446.464	DNEPABICMRBJDD-ZKHDCCDFSA-N	00100010000000100001010000000000000000000000000000000000	22-01-165615
O=C([C@@H]1[C@@H]2[C@H]1CN(C2)C(OC(C)(C)C)O)NC(COc1nnccc1C(F)(F)F)(C)C	SCHEMBL20029291	446.464	DNEPABICMRBJDD-YEILDDQRSA-N	00100010000000100001010000000000000000000000000000000000	22-01-165616
COc1ccnc(c1O)C(=O)N[C@H]1CCCC[C@H]([C@@H](OC2C1O2)C)Oc1ccc(cc1)F	PC-id_145346527	446.469	JNQNDDRTZYFHCL-YEQUODFDSA-N	00100000000000111100010000000000000000000000000000000000	22-01-165617
COC(=O)[C@H]1[C@H]2[C@@H]1[C@](CS2(=O)=O)(NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O	PC-id_67561590,SCHEMBL8353627	446.472	UBIDGLJTYLHQIW-HSNUCVNHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-165618
S1(=O)(=O)C2C(C2C(=O)OC)C(NC(=O)C2N(CCC2)C(=O)OC(C)(C)C)(C1)C(=O)O	PC-id_77314040	446.472	UBIDGLJTYLHQIW-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-165619
CCCCOP(=O)(CCc1ccc(c2c1O2)C(=O)C(c1ccccc1)O)OCCCC	PC-id_145796396	446.473	APNZRNAXGWWHQZ-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-165620
O1C2C1CCC2OC1C(O)C(CC1)CCCCCCCOOOOOOOC(=C=C)C	PC-id_59097461	446.489	NCWOOUMZYUTMPC-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-165621
CCc1ccc(c(c1)F)Nc1ncnc(c1F)OCC12CCN(CC2C1)C(=O)OC(C)C	PC-id_58061873,SCHEMBL10116626	446.49	FXXRPXRRMRRKMA-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-165622
O(C(=O)C1(CC2(C(C2)C1)C(=C)C(=C)C12C(C1)CC(C2)(C(=O)OC)C(=O)OC)C(=O)OC)C	PC-id_11797629	446.49	IZTVXCJVIDTKCM-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-165623
O1C2C1C(O)(C=C(NC(=O)C=CC=CC)C2(OC)OC)C=CC=CC=CC(=O)N(OC)C	PC-id_85209258	446.493	DHJXWWVYHPZIIP-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-165624
O1[C@@H]2[C@H]1[C@](O)(C=C(NC(=O)/C=C/C=C/C)C2(OC)OC)/C=C/C=C/C=C/C(=O)N(OC)C	PC-id_10623252	446.493	DHJXWWVYHPZIIP-YJXKTWASSA-N	00100000000011000000010000000000000000000000000000000000	22-01-165625
CC[Si](OC(c1c(Cl)ccc(c1Cl)F)CNC1CC2C(C1)C2(C)C)(CC)CC	PC-id_140689158	446.501	SZEYQMLSPWLKJT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-165626
C=C1CCC(CC1)CCC(=O)C12C=CC(=CC1C2)COCc1ccc(cc1)OC(F)(F)F	PC-id_144500357	446.502	ACOVDDKICUVRTP-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-165627
OC1[C@@H]2[C@H]1CN(C2)C(=O)c1ccnc(c1)C(=O)Nc1cccc(c1)[C@@H](Cc1nncn1C)C	PC-id_139361034	446.502	VKVZNWRRTOXNBA-VDTIXWRXSA-N	00100010100000111001010000000000000000000000000000000000	22-01-165628
O[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1ccnc(c1)C(=O)Nc1cccc(c1)[C@@H](Cc1nncn1C)C	SCHEMBL21212554	446.502	VKVZNWRRTOXNBA-JNEVIBOXSA-N	00100010100000111001010000000000000000000000000000000000	22-01-165629
CC[N+](C1C[C@@H](CC[C@@H]2C1O2)OC(=O)C(c1ccc(cc1)F)(c1ccc(cc1)F)O)(C)C	SCHEMBL13526560	446.507	RVPJFLHKUXFMMJ-TXHBJKIWSA-N	00100000000000110100010000000000000000000000000000000000	22-01-165630
CC[N+](C)(C)C1CC(CCC2C1O2)OC(=O)C(c1ccc(cc1)F)(c1ccc(cc1)F)O	PC-id_89108389	446.507	RVPJFLHKUXFMMJ-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-165631
CCC(C)C(C(=O)NC1(CS(=O)(=O)C2C1C2C(=O)OC)C=O)NC(=O)OC(C)(C)C	PC-id_88284359	446.515	KECOBXJMGOLAOO-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-165632
CC[C@@H]([C@@H](C(=O)N[C@@]1(C=O)CS(=O)(=O)[C@@H]2[C@H]1[C@H]2C(=O)OC)NC(=O)OC(C)(C)C)C	SCHEMBL8352584	446.515	KECOBXJMGOLAOO-LLLNMYIWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-165633
CCOC(=O)[C@@H]1[C@@H]2[C@H]1C[C@H](C2Nc1ccc(c(c1)[C@]1(C)N=C(N)N(C(=O)C1(C)C)C)F)O	PC-id_57497162,SCHEMBL569565	446.515	TXXHVEFILSLDLG-SARGVMEESA-N	00100010000011110001110000000000000000000000000000000000	22-01-165634
CCOC(=O)[C@@H]1[C@@H]2[C@H]1C[C@H](C2Nc1ccc(c(c1)[C@@]1(C)N=C(N)N(C(=O)C1(C)C)C)F)O	SCHEMBL569564,PC-id_66727893	446.515	TXXHVEFILSLDLG-BEDFYRGYSA-N	00100010000011110001110000000000000000000000000000000000	22-01-165635
CCOC(=O)[C@@H]1[C@@H]2[C@H]1C[C@H](C2Nc1ccc(c(c1)C1(C)N=C(N)N(C(=O)C1(C)C)C)F)O	SCHEMBL569566,PC-id_66727894	446.515	TXXHVEFILSLDLG-RFZPWRKYSA-N	00100010000011110001110000000000000000000000000000000000	22-01-165636
Fc1c(cc(NC2C3C(C3C(=O)OCC)CC2O)cc1)[C@@]1(N=C(N(C(=O)C1(C)C)C)N)C	PC-id_57496993	446.515	TXXHVEFILSLDLG-XHBCEBCOSA-N	00100010000011110001110000000000000000000000000000000000	22-01-165637
Fc1c(cc(NC2C3C(C3C(=O)OCC)CC2O)cc1)[C@]1(N=C(N(C(=O)C1(C)C)C)N)C	PC-id_57516105	446.515	TXXHVEFILSLDLG-SVFHRQOCSA-N	00100010000011110001110000000000000000000000000000000000	22-01-165638
Fc1c(cc(NC2C3C(C3C(=O)OCC)CC2O)cc1)C1(N=C(N(C(=O)C1(C)C)C)N)C	PC-id_76543654	446.515	TXXHVEFILSLDLG-UHFFFAOYSA-N	00100010000011110001110000000000000000000000000000000000	22-01-165639
CCn1nc(cc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccccc1c1cccc(c1)F)C	PC-id_66997850,SCHEMBL1338061	446.517	RLJZSXDETSZWPA-JKFKMHIGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165640
CCn1nc(cc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccccc1c1ccc(cc1)F)C	PC-id_66998011,SCHEMBL1338439	446.517	ZUPMLSMLECSQIE-JKFKMHIGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165641
Fc1cc(c2c(C(=O)N3C(C4C(C4)C3)CNC(=O)c3n(nc(c3)C)CC)cccc2)ccc1	PC-id_77247723	446.517	RLJZSXDETSZWPA-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165642
Fc1ccc(c2c(C(=O)N3C(C4C(C4)C3)CNC(=O)c3n(nc(c3)C)CC)cccc2)cc1	PC-id_77247743	446.517	ZUPMLSMLECSQIE-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-165643
C=C[C@@H]1C[C@]1(NC(=O)C12CN(CC2C1)C(=O)C)C(=O)NS(=O)(=O)c1ccccc1NC	PC-id_59665609,SCHEMBL14278169	446.52	GTNYJISQESXVLV-LFSJQNCLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-165644
S(=O)(=O)(NC(=O)C1(NC(=O)C23C(C2)CN(C3)C(=O)C)C(C1)C=C)c1c(NC)cccc1	PC-id_72351898	446.52	GTNYJISQESXVLV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-165645
CC=C(C)C(=O)OC(C(C=C(C)C)OC(=O)C)C(=C)C1CC2CC2(C(=O)C1OC(=O)C)C	PC-id_86287605	446.533	CHNJJBBKWZIJGT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-165646
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Clc1cc(CNC(=O)[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)C(O)C(OC)(C)C)c(cc1)c1n[nH]nn1	PC-id_68840199,SCHEMBL3921341	448.903	SVPSFPBCZIASHA-OWOCOXBBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-166170
Clc1cc(CNC(=O)[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)C(O)C(OC)(C)C)c(n2nnnc2)cc1	PC-id_25154411,SCHEMBL4202916	448.903	XHKAGJGBFWRLLU-NJYCBWESSA-N	00100010100000110001110000000000000000000000000000000000	22-01-166171
Clc1ccc(cc1)C(=O)NCC1(CC2CC2)C2C1CN(C2)S(=O)(=O)c1ncn(c1)C	SCHEMBL13098098,PC-id_46831198	448.966	KEFWRHRQUDGNAC-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-166172
Clc1ccc(cc1)C(=O)NCC1(CC2CC2)[C@@H]2[C@H]1CN(C2)S(=O)(=O)c1ncn(c1)C	PC-id_76310571,BindingDB_PC-id_76310571	448.966	KEFWRHRQUDGNAC-HTZLVSCSSA-N	00100010100000110001010000000000000000000000000000000000	22-01-166173
Clc1cc(C(=O)NCC2(C3C2CN(S(=O)(=O)c2ncn(c2)C)C3)CC2CC2)ccc1	PC-id_59529956,SCHEMBL7887566	448.966	REGMDMQRYUZTCH-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-166174
Clc1c(C(=O)NCC2(C3C2CN(S(=O)(=O)c2ncn(c2)C)C3)CC2CC2)cccc1	PC-id_46831197,SCHEMBL13098053	448.966	ZSSMTHIDAFTJDB-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-166175
Clc1c(C(=O)NCC2([C@@H]3[C@H]2CN(S(=O)(=O)c2ncn(c2)C)C3)CC2CC2)cccc1	PC-id_76325094,BindingDB_PC-id_76325094	448.966	ZSSMTHIDAFTJDB-QRTHJKPMSA-N	00100010100000110001010000000000000000000000000000000000	22-01-166176
COC(=O)c1ccc(s1)CCC[N+]12C(CCC1O2)CCC(=O)Cc1ccc(cc1)Cl	PC-id_88043173	448.983	PAQJZENKIHCGQT-UHFFFAOYSA-N	00100010100100110001010000000000000000000000000000000000	22-01-166177
COC(=O)c1ccc(s1)CCC[N+]12OC2CC[C@H]1CCC(=O)Cc1ccc(cc1)Cl	SCHEMBL6799614	448.983	PAQJZENKIHCGQT-KJIJUEMSSA-N	00100010100100110001010000000000000000000000000000000000	22-01-166178
CC1=C([I]=C(C=C1)Br)CCCC(=O)[C@@H]1C[C@]2(C[C@H]2N1)C	PC-id_163985475	448.985	TVXOKSWGDUOFHS-BJJXKVORSA-N	00100010000011000000010000000000000000000000000000000000	22-01-166179
CC(c1c(cc(cc1)N)Cl)C(N=C1CC2CC2(C(=C1)C(=NC)c1ccccc1N=C)C)O	PC-id_90788797	448.988	HEQJYAVBUCCABS-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-166180
CCC(C1C2C1CC(C2)NC3=C(C=CC(=C3F)F)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)Cl	PC-id_153288932	449.132	YMJYMCDTTNMKRQ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166181
CCC(C1[C@H]2[C@@H]1CC(C2)NC3=C(C=CC(=C3F)F)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)Cl	PC-id_149384944	449.132	YMJYMCDTTNMKRQ-YDAXGTRZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166182
CCC(C1[C@H]2[C@@H]1CC(C2)NC3=C(C=C(C=C3F)F)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)Cl	PC-id_153288939	449.132	FAQUDTUNPLFVNQ-CYJFBURWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166183
CCC(C1[C@H]2[C@@H]1CC(C2)NC3=C(C(=CC(=C3)F)F)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)Cl	PC-id_153289117	449.132	RYYSRPPAWJUGFO-CYJFBURWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166184
CC(C)(C)CC(C(=O)C12CC1C2C(C(F)(F)F)C(F)(F)S(=O)(=O)O)(C(C)(C)C)N	PC-id_153695456	449.166	XNKWMWDXOJYYPG-UHFFFAOYSA-N	00101000000000000000010000000000000000000000000000000000	22-01-166185
C/C(=C(N=C(NC1=CC(=C(N=C1)CO)Cl)/N=C)/N2C[C@H]3[C@H]([C@]3(C2)NC(=O)C4CC4)N)/F	PC-id_155220501	449.174	OLBRMFVLDMSTCO-GGZOSCSSSA-N	00100010000000101000010000000000000000000000000000000000	22-01-166186
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CC4C(C3)C4C(=O)CC(=O)C(=O)[O-]	PC-id_154148506	449.179	JXWXDUXLPKCETO-UHFFFAOYSA-M	00100010000010110000010000000000000000000000000000000000	22-01-166187
CCCOc1c(nc(cc1)C)C(=O)N1C[C@@H]2CC2CC1COc1ncc(cc1)C(F)(F)F	PC-id_163870645	449.193	PKMISCWCCVHLCY-PQUAAJSLSA-N	00100000000010101000010000000000000000000000000000000000	22-01-166188
CC1(C2C1(C2)CC(=O)CCc1ccc(cc1)OC(=O)c1ccc(cc1)N=C(N)N)CC(=O)O	PC-id_163831179	449.195	ODTVGLAOJZRRGU-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-166189
CC[C@H]([C@H]1[C@H]2C1(C[C@@H](C2)C(C(=O)OCC)C(=O)OCC)C)NC(=O)c1ccc(cc1)Cl	PC-id_163891663	449.197	QCAYLYZZELOYTD-JOODVLNXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166190
CCN(Cc1ccccc1)c1cc(c(cc1)N=NC12[C@H](C1(C=NS2)C)C)NC(=O)C(C)C	PC-id_163713700	449.225	KLLYJKDUEWQALW-UTTDKNERSA-N	00100011000000110001010000000000000000000000000000000000	22-01-166191
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2CC(=O)C3=CC(=NC(=C3)C(=O)NC)CC4=CC=CC=C4	PC-id_160888004	449.231	SNWWMZPZYOLADA-SEJPIABJSA-N	00100010000000111000010000000000000000000000000000000000	22-01-166192
C[C@@H](CC(C)/C(=CC(=C)C/C(=N/C(/N=C(N)/Cl)Cl)/C)/C1=CCCC2[C@H]1C2)C(C)C=C	PC-id_154946672	449.236	VIRCYLQISIXPBG-UPLGJIPHSA-N	00100000000011000000010000000000000000000000000000000000	22-01-166193
CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC3C(C2)C3C[N-]C4=CN=C(C=C4)N5CCSCC5	PC-id_160165389	449.238	PCIPOBDIIZFFAS-UHFFFAOYSA-N	00100010000010111001110000000000000000000000000000000000	22-01-166194
C[C@@H](c1nccn1[C@H](CN)c1noc(c1)c1ccc(cc1)C(=C)C1[C@H]2[C@@H]1CN(C2)CCO)O	PC-id_164164601	449.243	ZPYQWQPQOOZKQO-ADZDJWPMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-166195
C1CN(CC2C1C2CN)C(=O)NC3=NC(=O)N(C=C3)C4=CC=C(C=C4)CN5C[C@@H]6[C@H](C5)C6N	PC-id_155006317	449.254	KTZSUAHLAUMPAF-HBSVTFQGSA-N	00100010000010110001110000000000000000000000000000000000	22-01-166196
CC1CCCC2(C(O2)(CCOC(=O)CCC(C(=O)CC1)(C)C)C(=CC3=COC(=N3)C)F)C	PC-id_154451412	449.258	XJFSVJHFNNLLOL-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-166197
Clc1cc(COC2C(NC(=O)C(N)C)(C3C(C3(F)C(=O)O)C2)C(=O)O)ccc1Cl	PC-id_73740514	449.258	MMSDAXXWQZJEDF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166198
Clc1cc(CO[C@H]2[C@](NC(=O)[C@@H](N)C)([C@H]3[C@H]([C@]3(F)C(=O)O)C2)C(=O)O)ccc1Cl	PC-id_21071973	449.258	MMSDAXXWQZJEDF-NOBXDDJESA-N	00100010000010110000010000000000000000000000000000000000	22-01-166199
C#CCOCc1c(nc(cc1)Br)NC(=O)[C@@H]1C[C@]2(C[C@H]2N1C(=O)O)CN=[N+]=[N-]	SCHEMBL20489169,PC-id_135319256	449.259	ZHVBDINJKLRDQD-JKDFXYPNSA-N	00100010000000101000010000000000000000000000000000000000	22-01-166200
CC1CCCN1C(C1=CCC2C(S2)C(CC1)C(=C)C)c1nnnn1c1c(cccc1C)C	PC-id_164083439,PC-id_144922595	449.261	WZRUEECWFKKBJG-UHFFFAOYSA-N	00100010100000110111110000000000000000000000000000000000	22-01-166201
CC1(CCCC(CC1)C(=O)NC2=NC(=O)N(C=C2)C3=CC=C(C=C3)CC4C[C@@H]5[C@H](C4)C5N)N	PC-id_154650545	449.279	PKZLJKOMFWCAHF-JBXNWYIQSA-N	00100010000010110101110000000000000000000000000000000000	22-01-166202
C=C1N/C(=N/C(=C)N2CCNCC2)/C=CN1C3=CC=C(C=C3)OCCN4CC5CC5(C4)CN	PC-id_154650622	449.29	HYQXDGJWVBONMX-UHFFFAOYSA-N	00100010000011110001110000000000000000000000000000000000	22-01-166203
Brc1cc(NC(=O)C2N(C3C(C3)C2)C(=O)O)cc(c2n(nnn2)C(C)(C)C)c1	PC-id_77463010	449.302	XMAFEBKKUAKLAD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-166204
Brc1cc(NC(=O)C2N(C3C(C3)C2)C(=O)OC(C)(C)C)cc(c1)c1n[nH]nn1	PC-id_77462390	449.302	IEJWHFPEDPWLTK-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-166205
Brc1cc(NC(=O)[C@@H]2C[C@@H]3[C@H](N2C(=O)O)C3)cc(c1)c1nnnn1C(C)(C)C	SCHEMBL12481692,PC-id_68284793	449.302	XMAFEBKKUAKLAD-FZQKWOKYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-166206
Brc1cc(NC(=O)[C@@H]2C[C@@H]3[C@H](N2C(=O)OC(C)(C)C)C3)cc(c1)c1[nH]nnn1	PC-id_68283162,SCHEMBL12479253	449.302	IEJWHFPEDPWLTK-FZQKWOKYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-166207
Cc1cc(c(cc1)NS(=O)(=O)c1cc2c(O2)cc1)N=Cc1cc(cc(c1O)Cl)Cl	PC-id_136266072	449.307	OYERSFLJGNIXRX-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-166208
ClC1=CC(=CC(=CNc2c(NS(=O)(=O)c3cc4Oc4cc3)ccc(c2)C)C1=O)Cl	PC-id_70694915	449.307	SVVUCWAFFCORBJ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-166209
Brc1cnc(nc1)NCC1C2CC2CN1C(=O)c1ccccc1c1ccccc1	SCHEMBL2932025,PC-id_68445871	449.343	KILUNXYASODUHW-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-166210
Brc1cnc(nc1)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1c1ccccc1	PC-id_57489372,SCHEMBL2932030	449.343	KILUNXYASODUHW-MAODMQOUSA-N	00100010000000110001110000000000000000000000000000000000	22-01-166211
ClC1(Cl)C2C1CN(C2C(=O)OC)C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1	PC-id_21016981	449.369	SHOWMHPNFCWWTM-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-166212
ClC1(Cl)[C@H]2[C@@H]1CN([C@@H]2C(=O)OC)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1	SCHEMBL8351607,PC-id_58606217	449.369	SHOWMHPNFCWWTM-AJNGGQMLSA-N	00100010000010000000010000000000000000000000000000000000	22-01-166213
O=C([C@@H]1[C@H]2C[C@H]2CN1C(=O)O)NCc1cc(ccc1C(=O)N)c1cnc(nc1)C(F)(F)F	PC-id_122439701,SCHEMBL17959639	449.383	XDZSNHGWWWUVKD-CQDKDKBSSA-N	00100010000000110001110000000000000000000000000000000000	22-01-166214
OC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N(c1cc(ccc1C(=O)N)c1cnc(nc1)C(F)(F)F)C)C2	SCHEMBL17959636,PC-id_122439698	449.383	GAWHBJVQZQNKFL-XEGUGMAKSA-N	00100010000000110001110000000000000000000000000000000000	22-01-166215
Clc1cc(Oc2c(cc(C#CCCN3C4SC4OCC3)cc2)CNC)ccc1Cl	PC-id_24965235	449.393	JMXRRRSNNLETBJ-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-166216
C=C/N=C(C=C(Nc1nc(NC2C3C2COC3)nc(n1)c1cccc(n1)C(F)(F)F)/C)/F	SCHEMBL19236820	449.405	UCLONVGWKIRNHZ-WGXYEJQQSA-N	00100010000000101001110000000000000000000000000000000000	22-01-166217
C=N/C=C(C=C(Nc1nc(NC2C3C2COC3)nc(n1)c1cccc(n1)C(F)(F)F)/C)/F	SCHEMBL18521573	449.405	CCQJWHBBNKKETG-JMQWPVDRSA-N	00100010000000101001110000000000000000000000000000000000	22-01-166218
Cc1c(nc(cc1)Br)NC(=O)[C@@H]1C[C@]2(C[C@H]2N1)Cc1nc(cs1)C(C)(C)C	SCHEMBL20487754,PC-id_135317943	449.408	LKPDKWFGKDMTES-RDXCRGQUSA-N	00100010100000101001010000000000000000000000000000000000	22-01-166219
CN=C1/C(=C/C2[C@H]3[C@@H]2CN(C3)Cc2c(cc(cc2)C(F)(F)F)C(F)(F)F)/SC(=O)N1	PC-id_136626229	449.413	BLBCMASFNAZJNT-GZEKOVIFSA-N	00100010000000110001010000000000000000000000000000000000	22-01-166220
CN=C1/C(=CC2[C@H]3[C@@H]2CN(C3)Cc2c(cc(cc2)C(F)(F)F)C(F)(F)F)/SC(=O)N1	PC-id_136626231	449.413	BLBCMASFNAZJNT-LZRHPTRZSA-N	00100010000000110001010000000000000000000000000000000000	22-01-166221
CN=C1C(=CC2[C@H]3[C@@H]2CN(C3)Cc2c(cc(cc2)C(F)(F)F)C(F)(F)F)SC(=O)N1	PC-id_137079157,SCHEMBL14779489	449.413	BLBCMASFNAZJNT-YHWZYXNKSA-N	00100010000000110001010000000000000000000000000000000000	22-01-166222
CNC1=NC(=O)SC1=CC1C2C1CN(C2)Cc1c(cc(cc1)C(F)(F)F)C(F)(F)F	PC-id_89440323	449.413	BLBCMASFNAZJNT-UHFFFAOYSA-N	00100011000000110001010000000000000000000000000000000000	22-01-166223
CNC1=NC(=O)S/C/1=C[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccc(cc1C(F)(F)F)C(F)(F)F	SCHEMBL14779486	449.413	BLBCMASFNAZJNT-DRPWUQSJSA-N	00100011000000110001010000000000000000000000000000000000	22-01-166224
CNC1=NC(=O)S/C/1=C[C@@H]1[C@H]2[C@@H]1CN(C2)Cc1ccc(cc1C(F)(F)F)C(F)(F)F	SCHEMBL14779487	449.413	BLBCMASFNAZJNT-ITKHZATDSA-N	00100011000000110001010000000000000000000000000000000000	22-01-166225
O=C(C12C(C1C=Cc1ccccc1)CC(C2)(C(=O)OC)C(=O)OC)c1ccc([N+](=O)[O-])cc1	PC-id_76013020	449.453	BBXWUJLUZPPNIB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166226
O=C([C@@]12[C@@H]([C@H]1/C=C/c1ccccc1)CC(C2)(C(=O)OC)C(=O)OC)c1ccc([N+](=O)[O-])cc1	PC-id_53330593	449.453	BBXWUJLUZPPNIB-ZKUPOLTDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166227
s1c(NCC2N(CC3C(C3)C2)C(=O)c2c(n3nccn3)cccc2)nnc1C(F)(F)F	PC-id_76528230	449.453	SCXNVPHIDZMUCD-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-166228
s1c(NC[C@H]2N(C[C@H]3[C@H](C3)C2)C(=O)c2c(n3nccn3)cccc2)nnc1C(F)(F)F	PC-id_57413696	449.453	SCXNVPHIDZMUCD-AGIUHOORSA-N	00100000100010110001110000000000000000000000000000000000	22-01-166229
OC(=O)C1C2C1C(NC(=O)Nc1ccc(OC)cc1)CC2(NC(=O)OC(C)(C)C)C(=O)O	PC-id_69897918	449.454	HQIOVWXCXLBFMZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166230
OC(=O)C1C2C1C(NC(=O)Nc1cc(OC)ccc1)CC2(NC(=O)OC(C)(C)C)C(=O)O	PC-id_69895930	449.454	WUMNDMNSNSBPCF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166231
CCOC(=O)[C@]1(N)[C@H](SCc2cccc(c2)C(F)(F)F)C[C@@H]2[C@H]1[C@@]2(F)C(=O)OCC	PC-id_11224707,SCHEMBL5089429	449.46	RVECQXVSTNBSAU-HIGHGGLBSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166232
S(C1C(N)(C2C(C2(F)C(=O)OCC)C1)C(=O)OCC)Cc1cc(ccc1)C(F)(F)F	PC-id_72758271	449.46	RVECQXVSTNBSAU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166233
CCCOc1ccc(nc1C(=O)N1CC2C[C@@H]2CC1COc1ccc(cn1)C(F)(F)F)C	SCHEMBL706969,PC-id_66774469	449.466	PKMISCWCCVHLCY-KLHKWILBSA-N	00100000000010101000010000000000000000000000000000000000	22-01-166234
CCCOc1ccc(nc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COc1ccc(cn1)C(F)(F)F)C	PC-id_46934438,SCHEMBL609382	449.466	PKMISCWCCVHLCY-RYRKJORJSA-N	00100000000010101000010000000000000000000000000000000000	22-01-166235
FC(F)(F)c1ccc(OCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2OCCC)C)nc1	PC-id_75242907	449.466	PKMISCWCCVHLCY-UHFFFAOYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-166236
CCCOc1ccc(nc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ncc(cn1)C(F)(F)F)C	SCHEMBL3383668,PC-id_46218797	449.469	XEUKRBGFVNQFGF-VYDXJSESSA-N	00100000000010101001010000000000000000000000000000000000	22-01-166237
FC(F)(F)c1cnc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2OCCC)C)nc1	PC-id_75152410	449.469	XEUKRBGFVNQFGF-UHFFFAOYSA-N	00100000000010101001010000000000000000000000000000000000	22-01-166238
CC1C2(C1(C(C(C(C2(O)O)(O)O)(O)O)(O)O)O)CSc1cccc(c1)C(CCN)O	PC-id_91604966	449.473	NGYWNPSTGLXTFQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-166239
COc1cccc(c1)C(=O)N1CC2C(C1)C2CNc1nc(cc(=O)n1C)c1ccncc1F	PC-id_140556787	449.477	VBUNNNXZMQTADP-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-166240
COc1ccccc1C(=O)N1CC2C(C1)C2CNc1nc(cc(=O)n1C)c1ccncc1F	PC-id_140556819	449.477	DUTHTWREDOXUIY-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-166241
COc1cccc(c1)C(=O)N1C[C@@H]2[C@H](C1)C2N(c1nc(cc(=O)n1C)c1ccncc1F)C	PC-id_59576955,SCHEMBL2488876	449.477	DKUWKXIYLJYYLF-VSOVRNOCSA-N	00100010000000111001110000000000000000000000000000000000	22-01-166242
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CCOC(=O)[C@H](NC(=O)[C@@H]1[C@@H]2[C@H]1CCCC2)Cc1ccc(cc1)OC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_29832	453.57	MORNFWPEAYSCAK-ACYPNERUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-166849
NCC(=O)NCCCOCCOCCOCCCNC(=O)OCC1[C@@H]2CCC#CCC[C@H]12	EMOLS-id_324164458,PC-id_137334037	453.572	MZZHRBCWKALCAE-WCRBZPEASA-N	00100000000000000110010000000000000000000000000000000000	22-01-166850
NCC(=O)NCCCOCCOCCOCCCNC(=O)OC[C@@H]1[C@@H]2CCC#CCC[C@H]12	EMOLS-id_317521503	453.572	MZZHRBCWKALCAE-WKCHPHFGSA-N	00100000000000000110010000000000000000000000000000000000	22-01-166851
CCO[C@H](C(=O)OCC)Cc1ccc(cc1)OCCN[C@@H]1[C@@H]2C1CN(C2)Cc1ccncc1	SCHEMBL4755453	453.574	UNOROTPYKRQZJK-FULJZNEXSA-N	00100010000000111000010000000000000000000000000000000000	22-01-166852
O(CCNC1C2C1CN(C2)Cc1ccncc1)c1ccc(cc1)CC(OCC)C(=O)OCC	PC-id_74325227	453.574	UNOROTPYKRQZJK-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-166853
O(CCNC1C2[C@@H]1CN(C2)Cc1ccncc1)c1ccc(cc1)C[C@H](OCC)C(=O)OCC	PC-id_69176063	453.574	UNOROTPYKRQZJK-UGDMEMNTSA-N	00100010000000111000010000000000000000000000000000000000	22-01-166854
O(CCNC1[C@@H]2[C@H]1CN(C2)Cc1ccncc1)c1ccc(cc1)C[C@H](OCC)C(=O)OCC	PC-id_24821940	453.574	UNOROTPYKRQZJK-XOOOBRDJSA-N	00100010000000111000010000000000000000000000000000000000	22-01-166855
O=C(C(N(C(=O)C1CC1)Cc1ccccc1)C1CC1)NC1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	PC-id_102157895	453.574	OMOCJXMHGZICAM-FDRBHKFBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-166856
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Fc1cc(NCC2C3C2CN(C3)Cc2ccc(cc2)OC(C)(C)C)ccc1N1CCOCC1	PC-id_69034834,SCHEMBL4415737	453.592	DLXMVJUKTKHWRK-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-166859
O=C(OCC1[C@@H]2[C@H]1CCC#CCC2)NCCOCCOCCOCCOCCC(C)(C)C	PC-id_139308069	453.612	ZMVHSEWETWUTJM-AIZNXBIQSA-N	00100000000000000110010000000000000000000000000000000000	22-01-166860
O=C(OC[C@@H]1[C@H]2[C@@H]1CCC#CCC2)NCCOCCOCCOCCOCCC(C)(C)C	SCHEMBL21152906	453.612	ZMVHSEWETWUTJM-NUNAXRQHSA-N	00100000000000000110010000000000000000000000000000000000	22-01-166861
O=C(OC(C)(C)C)NCCCC[C@@H](C(=O)OC1CCCCCC2C(C1)C2)NC(=O)[C@@H](N)C	SCHEMBL19135472	453.615	CADDDUCSABRUBB-UJOXVPMASA-N	00100000000000000100010000000000000000000000000000000000	22-01-166862
[Si](OC1C2OC2CN(C1)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72753303	453.646	CDRDHJCZRAVBIO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-166863
[Si](O[C@@H]1[C@@H]2O[C@@H]2CN(C1)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11166914	453.646	CDRDHJCZRAVBIO-XPWALMASSA-N	00100000000010110000010000000000000000000000000000000000	22-01-166864
[Si](O[C@H]1[C@@H]2O[C@@H]2CN(C1)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11213180	453.646	CDRDHJCZRAVBIO-DNVJHFABSA-N	00100000000010110000010000000000000000000000000000000000	22-01-166865
[Si](O[C@H]1[C@H]2O[C@H]2CN(C1)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11339987	453.646	CDRDHJCZRAVBIO-ZRBLBEILSA-N	00100000000010110000010000000000000000000000000000000000	22-01-166866
O=C1NC2(CC2/C=CCCCCN(C(=O)NC1CCO[Si](C(C)(C)C)(C)C)C)C(=O)O	SCHEMBL4187161	453.648	MBKDTWFVAUEBCU-LUAWRHEFSA-N	00100000000000000111010000000000000000000000000000000000	22-01-166867
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[Si](OCCC1NC(=O)N(CCCCC=CC2C(NC1=O)(C2)C(=O)O)C)(C(C)(C)C)(C)C	PC-id_68947779	453.648	MBKDTWFVAUEBCU-UHFFFAOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-166869
F[C@H]1[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H]2[C@](C1=O)(C2)CO[Si](C(C)(C)C)(C)C	PC-id_140787356	453.664	MSMZEWRMYYGRJF-MZLPPYGWSA-N	00100010000000110000010000000000000000000000000000000000	22-01-166870
F[C@@H]1[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H]2[C@](C1=O)(C2)CO[Si](C(C)(C)C)(C)C	PC-id_140787358	453.664	MSMZEWRMYYGRJF-UDFVPUEDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-166871
BrC12C(O)(C1C)C(=C(Br)C(=C2Br)O)Br	SCHEMBL9421187,PC-id_67848521	453.748	YYYIDXCCCHSBJP-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-166872
Clc1ccc(NC(=O)NC2C3C(C3C(=O)O)C(NC(=O)OC(C)(C)C)(C2)C(=O)O)cc1	PC-id_69899151	453.873	DYABYFZDAUSIJH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166873
Clc1cc(NC(=O)NC2C3C(C3C(=O)O)C(NC(=O)OC(C)(C)C)(C2)C(=O)O)ccc1	PC-id_69897990	453.873	FLLJYDMBHNTTSW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166874
Clc1c(NC(=O)NC2C3C(C3C(=O)O)C(NC(=O)OC(C)(C)C)(C2)C(=O)O)cccc1	PC-id_69899392	453.873	PGWOYCMZDCVNGH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166875
CCN1CC2C(C1)C2CN(C(=O)c1ccc(cn1)Cl)Cc1cccc(c1)OC(F)(F)F	SCHEMBL710201,PC-id_66775598	453.885	ANPCOWKCZPKWEH-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-166876
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COc1ncc(cc1F)Cl)c1ncccn1	SCHEMBL609971,PC-id_49800249	453.897	RJPUOKAAJCATKF-VYDXJSESSA-N	00100000000010101001110000000000000000000000000000000000	22-01-166877
Clc1cc(F)c(OCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ncccn2)C)nc1	PC-id_75281753	453.897	RJPUOKAAJCATKF-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-166878
Clc1cnc(c(c1)F)OCC12CN(CCC1C2)C(=O)c1nc(C)ccc1c1ncccn1	PC-id_144077811	453.897	YTQXZHHGKPPRAI-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-166879
CC(C)C(OC)OC(=O)C(C)(C12NI1N2)I	PC-id_147165057	453.925	BWPIDUHDTCSIJR-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-166880
CCOC(C(C)C)OC(=O)C(C12NI1N2)I	PC-id_154559865	453.925	OFDAKXMLBFEEHR-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-166881
c1cc(c(cc1NC(=O)c1cnc(cc1)CBr)NC(=O)c1cc2-c(c2)c[cH+]1)Cl	PC-id_164023130	453.995	GPQWKNXUXHNELG-UHFFFAOYSA-O	00110000000010111000010000000000000000000000000000000000	22-01-166882
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C[C@@H](C(=O)N[C@]1(C[C@H]([C@@H]2[C@H]1[C@H]2C(=O)O)SC3=NCN=C3)C(=O)O)NC(=O)OC(C)(C)C	PC-id_160343967	454.152	PYHXBRWDASAHPT-OLIWWZMFSA-N	00100011000010000001010000000000000000000000000000000000	22-01-166884
CC1CC(C(=CCC=C1)OCOC(=O)C1(CC2C=C2C(C=C1)OC(=O)C(F)(F)S)C)C	PC-id_163880995	454.163	PTEJMEXGZDBJNF-UHFFFAOYSA-N	00110000000000000110010000000000000000000000000000000000	22-01-166885
CC(=O)OOC(=O)C1C2C1OC(C2CCOCC3=CC=CC=C3)COC(=O)C4=CC=CC=C4	PC-id_165388100	454.163	FLIVVFOWIWHMPR-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-166886
CCC(C1C2C1CC(C2)NC(C3=CC=CC=C3)C(=O)OCC)NC(=O)C4=CC=C(C=C4)Cl	PC-id_153288970	454.202	XQXIVPSMFAOQOM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166887
CCC(C1[C@H]2[C@@H]1CC(C2)NC(C3=CC=CC=C3)C(=O)OCC)NC(=O)C4=CC=C(C=C4)Cl	PC-id_149270174	454.202	XQXIVPSMFAOQOM-QFYXCHGASA-N	00100010000010110000010000000000000000000000000000000000	22-01-166888
CC1=NOC(=C1COC(=O)N2C[C@H]3C[C@]3(C2)C)C4=CC=C(C=C4)O[C@H]5CCC[C@@H](C5)C(=O)O	PC-id_155180610	454.21	PJLAAMNHWKHPSZ-NOEFBULQSA-N	00100010100010110001110000000000000000000000000000000000	22-01-166889
CC1=NOC(=C1OCC(=O)N(C)C2CCCC2)C3=CC=C(C=C3)OC4CCC5C4C5C(=O)O	PC-id_164831256	454.21	NVQVBZNGVKKTJS-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-166890
Brc1ccc2c(n1)N2N(Oc1ccccc1Cc1ccc(cc1)C(F)(F)F)F	PC-id_142045995	454.216	GQQHFYHYGGZSMF-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-166891
C1CC2(C(O2)CC1S(=O)(=O)C3CCC4(C(C3)O4)CCCCC5CO5)CCCCC6CO6	PC-id_154343731	454.239	QKULLVNNRVSMET-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-166892
C1C(CC2C(C1CCCCC3CO3)O2)S(=O)(=O)C4CC(C5C(C4)O5)CCCCC6CO6	PC-id_154239105	454.239	DESCJKIUARUSRR-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-166893
CC1(C(O1)CCC23CC(CCC2O3)S(=O)(=O)C4CCC5C(C4)(O5)CCC6C(O6)(C)C)C	PC-id_154290752	454.239	FYODANNDNPQOHI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-166894
CC1C(O1)(C)CCC23CCC(CC2O3)S(=O)(=O)C4CCC5(C(C4)O5)CCC6(C(O6)C)C	PC-id_154316448	454.239	HWQQIPFWLCMQKT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-166895
CC(CCC1=CC=CC=C1)N2C[C@@H]3[C@H](C2)C3C(=O)CCC(=O)NC4=CC=CC(=C4)C(C)(F)F	PC-id_161796404	454.243	UXCVUYLKEHHCCN-ZOQCXKLLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-166896
CC1CC(CCO1)COC(=O)OCC1CCC(CC1)COC(=O)OCC1CCC2C(C1)O2	PC-id_163751308	454.257	LQEWNHWOWDBIHS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-166897
CC(C)(C1CCC(CC1)OCC2COC3C(O2)O3)C4CCC(CC4)OCC5COC(=O)O5	PC-id_149073707	454.257	QOMJPHJTOXHVNU-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-166898
CNC(=O)CCOCCOCCOCCOCCNC(=O)OCC1[C@H]2[C@@H]1CCC#CCC2	PC-id_160460860	454.268	HNCYMZUJDIFLCL-WCRBZPEASA-N	00100000000000000110010000000000000000000000000000000000	22-01-166899
C[Si](C)(CCC1CCC2CC2C1)O[Si](C)(C)O[Si](C)(C)CCC3CCC4C(C3)O4	PC-id_147800038	454.275	HLIPGNWOSDHLBZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-166900
Clc1ccc(C(OC2C(N)(C3C([C@]3(F)C(=O)O)C2)C(=O)O)c2ccc(Cl)cc2)cc1	PC-id_49823812	454.276	OMVRQJQIICFOPM-VDTVLDHXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166901
Clc1ccc(C(OC2C(N)(C3C(C3(F)C(=O)O)C2)C(=O)O)c2ccc(Cl)cc2)cc1	PC-id_72768142	454.276	OMVRQJQIICFOPM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166902
N[C@@]1(C(=O)O)[C@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	CHEMBL365244,PC-id_11248009,BindingDB_PC-id_11248009	454.276	OMVRQJQIICFOPM-NROPHMHMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166903
N[C@@]1(C(=O)O)[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	PC-id_11259548,CHEMBL185456,BindingDB_PC-id_11259548	454.276	OMVRQJQIICFOPM-QBAQHBBDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-166904
CC1(C2(C1(C(OC2C(O)OP(=O)(CP(=O)(O)O)O)OCc1ccccc1)O)O)C	PC-id_88263113	454.303	AEINMAOWXXTSIT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-166905
OC([C@H]1O[C@H]([C@@]2([C@@]1(O)C2(C)C)O)OCc1ccccc1)OP(=O)(CP(=O)(O)O)O	SCHEMBL8199169	454.303	AEINMAOWXXTSIT-XIYVACBCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-166906
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COC(=O)c1cc(NC(=O)[C@@H]2C[C@@]3([C@H](N2C(=O)OC(C)(C)C)C3)C)nc(c1)Br	PC-id_142420589	454.315	MTZOKKFBKDDLPD-CRTZDJKQSA-N	00100010000000101000010000000000000000000000000000000000	22-01-166908
CC(C)C(C(=O)NCC12C[C@H](NC1C2)C(=O)Nc1nc(ccc1)Br)NC(=O)O	SCHEMBL20488807,PC-id_135318919	454.318	VXVMHZSSQHMZOX-VYZWVPPASA-N	00100010000000101000010000000000000000000000000000000000	22-01-166909
CC(C)[C@@H](C(=O)N(C)C12C[C@H](NC1C2)C(=O)Nc1nc(ccc1)Br)NC(=O)O	PC-id_135318912,SCHEMBL20488800	454.318	MXTYOHSWVMAXDU-VLXCZOSLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-166910
CC1CC(CC2C1C2)CCCCCC(=C)NCCCCC(C(=C)C)NC(=C)CCCCC=C	PC-id_154966772	454.429	WNGIEYBDPJAZEM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-166930
CC(C)[C@@H](C(=O)NCC12C[C@H](NC1C2)C(=O)Nc1nc(ccc1)Br)NC(=O)O	SCHEMBL20488802,PC-id_135318914	454.318	VXVMHZSSQHMZOX-VLXCZOSLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-166911
CNC(=O)c1nccc(c1)Oc1ccc2c(c1)N2NN(Cc1ccc(cc1)Br)C	PC-id_142815582	454.32	PMCOGVGLYLOAHD-UHFFFAOYSA-N	00100000000000111000010000000000000000000000000000000000	22-01-166912
Clc1cc(Oc2c(S(=O)(=O)NC3CC4OC4CC3N)cc(cc2)C#N)cc(Cl)c1	PC-id_72531326	454.327	BKAKKISQDTWBHO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-166913
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IC(C12NC2N1)C(=O)OCC(CC(C(O)(C)C)CC(O)(C)C)(C)C	SCHEMBL18872589	454.344	OHICUFKAOHJRDO-UHFFFAOYSA-N	00100000000000000000010000000000000000000000000000000000	22-01-166915
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Clc1ccc(c(c1)C(=O)N1[C@@H](CC[C@H]2C1C2)CNc1ccc(cn1)Cl)c1ncccn1	PC-id_117937747,SCHEMBL16549889	454.352	BRQAZVCGIQFSOX-NJKBTARHSA-N	00100000000010111001110000000000000000000000000000000000	22-01-166918
Clc1ccc(c(c1)C(=O)N1[C@@H](CC[C@H]2[C@@H]1C2)CNc1ccc(cn1)Cl)c1ncccn1	PC-id_71747352,SCHEMBL16534055	454.352	BRQAZVCGIQFSOX-LIVBEALHSA-N	00100000000010111001110000000000000000000000000000000000	22-01-166919
Clc1ccc(c(c1)C(=O)N1[C@@H](CC[C@@H]2[C@H]1C2)CNc1ccc(cn1)Cl)c1ncccn1	SCHEMBL15265401,PC-id_71746658	454.352	BRQAZVCGIQFSOX-GZRFBZBPSA-N	00100000000010111001110000000000000000000000000000000000	22-01-166920
FC(C(C(C(OCC1CCC2C(C1)O2)(F)F)(F)F)(F)F)(OCC1CCC2C(C1)O2)F	SCHEMBL12856915,PC-id_58895073	454.352	SVBSQDHDINRGKH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-166921
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Br/C=C/[C@]1(O)[C@H]2O[C@H]2C(OC)(OC)C(=C1)NC(=O)/C=C/C=C/C1CCCCC1	PC-id_10599809	454.355	FGQNAFXZZUTGOR-KINDVTJNSA-N	00100000000011000000010000000000000000000000000000000000	22-01-166923
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Cc1ccc(cc1)N(C1=CC2C(C=C1)(C2)N(c1ccc(cc1)C)c1ccccc1)c1ccccc1	PC-id_144450032	454.605	NZOSYQDOQPWYCP-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-167004
CCOC(=O)C[C@H]1O[C@H](CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)C[C@@H]2[C@H]1O2	PC-id_101165207	454.631	ILWLTDVSRPVLHE-JWMZNBFRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167005
CC1OCCC(C1)COCC(COCC1CCC2C(C1)O2)(COCC1CCOC(C1)C)C	PC-id_145217053	454.64	UNUPABPJVQZYMQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167006
CC(COCC1CCC(CC1)O)(COCC1CCCC(C1)O)COCC1CCC2C(C1)O2	SCHEMBL15746574,PC-id_90181488	454.64	NXQKTHNGVAYVGV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167007
CCCCC/C=C/C1C2C1CC(C2Cc1cccc(c1)CCC(=O)OC)OC(=O)C(C)(C)C	PC-id_20386012,SCHEMBL11529921	454.641	YGXPYONGBDYKNX-GXDHUFHOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-167008
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Cc1ccc(cc1)S(=O)(=O)OC1CC(C2C1C2CC(=O)OC)O[Si](C)(C)C(C)(C)C	PC-id_89361169	454.652	PGAVIZYMTOWEOE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-167012
COC(=O)C[C@@H]1[C@@H]2[C@H]1[C@H](C[C@H]2O[Si](C(C)(C)C)(C)C)OS(=O)(=O)c1ccc(cc1)C	SCHEMBL14535935	454.652	PGAVIZYMTOWEOE-NRVIEEGESA-N	00100010000010110000010000000000000000000000000000000000	22-01-167013
O[C@H]1[C@@H](O)[C@@H]2[C@]([C@H]1OC(C)(C)C)(C2)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_101421485	454.674	NOYNMCPMKKMQET-GKPVTSGTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-167014
S(=O)(=O)(C12OC1C(OC2CCCCC)CO[Si](C(C)(C)C)(C)C)c1ccc(cc1)C	PC-id_74072394	454.695	XAMCVRICBCFEJV-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167015
S(=O)(=O)([C@]12O[C@H]1[C@@H](O[C@H]2CCCCC)CO[Si](C(C)(C)C)(C)C)c1ccc(cc1)C	PC-id_23629535	454.695	XAMCVRICBCFEJV-FKEBYFGASA-N	00100010000000110000010000000000000000000000000000000000	22-01-167016
S(=O)(=O)([C@@]12O[C@@H]1[C@H](O[C@H]2CCCCC)CO[Si](C(C)(C)C)(C)C)c1ccc(cc1)C	PC-id_25189241	454.695	XAMCVRICBCFEJV-ADYITMSISA-N	00100010000000110000010000000000000000000000000000000000	22-01-167017
CCCCCCCCCCCCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@@H]([C@@H]2[C@H]1O2)O	PC-id_101511724	454.726	MZBGKJKNTBKRBX-UZSVIBPSSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167018
CC(COC(=C)CC(C(=O)C1CC2C(C1C)C2(C)C)C1CCCC(C1)C(=C)CCC1CC1)C	PC-id_142268547	454.727	LHQIWZROOJKYGR-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-167019
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CC(C1C=CC(CC2C(C(=O)CC1)O2)C(O[SiH](C(C)(C)C)C)O[SiH](C(C)(C)C)C)C	SCHEMBL10753126	454.791	WAQVJCWHSGLWJE-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-167021
CCC/C=C/C1=C(CO[Si](C(C)(C)C)(C)C)[C@@H](O[Si](C(C)(C)C)(C)C)[C@H]2[C@@H]([C@H]1O)O2	PC-id_101774940	454.791	HPQKZCVNSNDNRO-GMTSAATOSA-N	00100000000011000000010000000000000000000000000000000000	22-01-167022
CCC/C=CC1=C(CO[Si](C(C)(C)C)(C)C)[C@@H](O[Si](C(C)(C)C)(C)C)[C@H]2[C@@H]([C@H]1O)O2	PC-id_101774941	454.791	HPQKZCVNSNDNRO-PFMXFYTPSA-N	00100000000011000000010000000000000000000000000000000000	22-01-167023
C[Si]1(CCCCCCCCC2CO2)OCC[Si](OCC1)(C)CCC1CCC2C(C1)O2	PC-id_58654298,SCHEMBL14181356	454.791	STZLWQSEAPLFMJ-UHFFFAOYSA-N	00100000000010000101010000000000000000000000000000000000	22-01-167024
Clc1c(C(O)CN2CC3C(C3CNC(=O)c3cc(OC(F)(F)F)ccc3)C2)cccc1	SCHEMBL3772053,PC-id_68780037	454.87	IPOKMQSFJQSZOJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167026
[Si](CC(CC(O[Si](C)(C)C)(CCC1CC2OC2CC1)C)(CC(CCC)C)C)(C)(C)C	PC-id_59938354	454.877	LQIGIXQFQDSGIK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167027
Clc1cccc(n1)C(=O)N1CC2C(C1)C2CNc1nc(cc(=O)n1C)c1ccncc1F	PC-id_140556810	454.885	UUPQWKKIRSVHHW-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167028
Clc1ccc(cn1)C(=O)N1CC2C(C1)C2CNc1nc(cc(=O)n1C)c1ccncc1F	PC-id_140556825	454.885	GPBWTYNAQXYDPE-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167029
Clc1cccc(n1)C(=O)N1C[C@@H]2[C@H](C1)C2N(c1nc(cc(=O)n1C)c1ccncc1F)C	PC-id_59576925,SCHEMBL2486183	454.885	IGIXMDPEGSZOJW-RAKKMVLPSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167030
Clc1ccc(cn1)C(=O)N1C[C@@H]2[C@H](C1)C2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2488471,PC-id_59576911	454.885	IQZBQZLJYPUPIW-DBIVSCPCSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167031
Clc1cccc(n1)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2486179	454.885	IGIXMDPEGSZOJW-IKDJWVMYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167032
Clc1cccc(n1)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2486182	454.885	IGIXMDPEGSZOJW-VTEUUUEMSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167033
Clc1ccc(cn1)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2488467	454.885	IQZBQZLJYPUPIW-QVDMIQRCSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167034
Clc1ccc(cn1)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2488468	454.885	IQZBQZLJYPUPIW-YVWYUNDQSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167035
Clc1c(C(=O)N2CC3C(C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)ccnc1	PC-id_72330956	454.885	MHPSETLJDOWIHU-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167036
Clc1c(C(=O)N2C[C@H]3[C@H](C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)ccnc1	PC-id_59576878,SCHEMBL2486506	454.885	MHPSETLJDOWIHU-DBIVSCPCSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167037
Clc1cnccc1C(=O)N1CC2C(C1)C2CNc1nc(cc(=O)n1C)c1ccncc1F	PC-id_140556793	454.885	MABLFJNFQKPMCE-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167038
Clc1cnccc1C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2486502	454.885	MHPSETLJDOWIHU-QVDMIQRCSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167039
Clc1cnccc1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2486505	454.885	MHPSETLJDOWIHU-YVWYUNDQSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167040
Clc1ncccc1C(=O)N1CC2C(C1)C2CNc1nc(cc(=O)n1C)c1ccncc1F	PC-id_140556801	454.885	IATJMOUYDPKXJE-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167041
Clc1nccc(c1)C(=O)N1CC2C(C1)C2CNc1nc(cc(=O)n1C)c1ccncc1F	PC-id_140556807	454.885	WUJMNUUUUVYTBT-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167042
Clc1ncccc1C(=O)N1CC2C(C2N(C)c2n(c(=O)cc(n2)c2c(F)cncc2)C)C1	PC-id_72330899	454.885	FQPWWQZVPOZCHC-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167043
Clc1nccc(c1)C(=O)N1C[C@@H]2[C@H](C1)C2N(c1nc(cc(=O)n1C)c1ccncc1F)C	PC-id_59576997,SCHEMBL2490495	454.885	VVBVSIMJVHSCDV-DBIVSCPCSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167044
Clc1ncccc1C(=O)N1C[C@@H]2[C@H](C1)C2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2486054,PC-id_59576782	454.885	FQPWWQZVPOZCHC-RTHVDDQRSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167045
Clc1ncccc1C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2486051	454.885	FQPWWQZVPOZCHC-QWHZDKJVSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167046
Clc1ncccc1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2486052	454.885	FQPWWQZVPOZCHC-CCWDJLKJSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167047
Clc1nccc(c1)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2490492	454.885	VVBVSIMJVHSCDV-QVDMIQRCSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167048
Clc1nccc(c1)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2490493	454.885	VVBVSIMJVHSCDV-YVWYUNDQSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167049
Clc1nccc(C(=O)N2CC3C(C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)c1	PC-id_72331031	454.885	VVBVSIMJVHSCDV-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167050
Clc1ncc(C(=O)N2CC3C(C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)cc1	PC-id_72330972	454.885	IQZBQZLJYPUPIW-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167051
Clc1nc(C(=O)N2CC3C(C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)ccc1	PC-id_72330979	454.885	IGIXMDPEGSZOJW-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-167052
Fc1ccc(c(c1)CNC(=O)C1CC2C(N1C(=O)Cc1cccc(c1)Cl)C2)n1cnnn1	PC-id_145543275	454.885	GEVYGUKOFNORJO-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-167053
CCOC(=O)C1(C)C2CC2C(=C(C1=O)C(=O)c1ccc(c(c1C)OC)S(=O)(=O)C)Cl	PC-id_139663263	454.921	JCKPDYKTBUURTE-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-167054
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NCl)C(=O)NC(CC1CCC1)C(=O)C(=O)N)C	SCHEMBL8356070,PC-id_88284965	454.991	KJWJBSUYIDLKEM-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-167055
ClNC(C(C)(C)C)C(=O)N1CC2C([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C	SCHEMBL16348982,PC-id_117781952	454.991	KJWJBSUYIDLKEM-RDVIWEACSA-N	00101010000000000000010000000000000000000000000000000000	22-01-167056
ClNC(C(C)(C)C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C	SCHEMBL16316519,PC-id_117758033	454.991	KJWJBSUYIDLKEM-QCUWXOPDSA-N	00101010000000000000010000000000000000000000000000000000	22-01-167057
ClNC(C(C)(C)C)C(=O)N1C[C@H]2C([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C	PC-id_117782635,SCHEMBL16349882	454.991	KJWJBSUYIDLKEM-PHUJGXCVSA-N	00101010000000000000010000000000000000000000000000000000	22-01-167058
ClNC(C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C	PC-id_117758617,SCHEMBL16317239	454.991	KJWJBSUYIDLKEM-MLURZJSDSA-N	00101010000000000000010000000000000000000000000000000000	22-01-167059
ClN[C@@H](C(C)(C)C)C(=O)N1CC2C([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C	SCHEMBL14469907	454.991	KJWJBSUYIDLKEM-SAPPARMOSA-N	00101010000000000000010000000000000000000000000000000000	22-01-167060
ClN[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C	SCHEMBL13632921	454.991	KJWJBSUYIDLKEM-YGPWJVBQSA-N	00101010000000000000010000000000000000000000000000000000	22-01-167061
CC1=CC(=C(C=C1)C)C(=O)N2CC[C@@H](C2)OC3=CC=CC(=C3)NS(=O)(=O)N4CC5CC5C4	PC-id_152230669	455.188	WBFNWBRGGAUJAB-AJTFCVKESA-N	00100010000000110000010000000000000000000000000000000000	22-01-167064
CC1=C(C=CC(=N1)C2=C(N(N=N2)C)COC(=O)N(C)C3CCC3)O[C@@H]4CC[C@@H]5[C@H]4C5C(=O)O	PC-id_164831194	455.217	UEYGGKKGUIGISV-ILEZESJXSA-N	00101010100010101001110000000000000000000000000000000000	22-01-167065
CC1=C(C=CC(=N1)C2=C(N(N=N2)C)COC(=O)N(C)CC3CC3)O[C@@H]4CC[C@@H]5[C@H]4C5C(=O)O	PC-id_164831232	455.217	VBSGASQNUTXBEW-ILEZESJXSA-N	00100010100010101001110000000000000000000000000000000000	22-01-167066
CN1C(=C(N=N1)C2=NC=C(C=C2)OC3CC4C(C3)C4C(=O)O)COC(=O)N(C)CC5CCC5	PC-id_164831241	455.217	KVUJCVAYLHMBNZ-UHFFFAOYSA-N	00101010100010101001110000000000000000000000000000000000	22-01-167067
CN1C(=C(N=N1)C2=NC=C(C=C2)O[C@@H]3CC[C@@H]4[C@H]3C4C(=O)O)COC(=O)N(C)C5CCCC5	PC-id_164831215	455.217	YCWDCONTSUXADQ-QTPMMRQZSA-N	00100010100010101001110000000000000000000000000000000000	22-01-167068
CN1C(=C(N=N1)C2=NC=C(C=C2)O[C@@H]3CC[C@@H]4[C@H]3C4C(=O)O)COC(=O)N(C)CC5CCC5	PC-id_164831205	455.217	DAOISIXJWOMZPC-QTPMMRQZSA-N	00101010100010101001110000000000000000000000000000000000	22-01-167069
C1CN(CC2(C1C2)N)CCC3=C(C=C(C=C3)N4C=CC(=NC4=O)NC(=O)N5CCNCC5)F	PC-id_154650562	455.245	GSULDBKUJMJAQC-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-167070
C1CN(CCN1)C(=O)NC2=NC(=O)N(C=C2)C3=CC(=C(C=C3)CCN4CC5CC5(C4)CN)F	PC-id_154650269	455.245	KVOYYLUZXIPROW-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-167071
Cc1cc(c(cc1)C(=N)C(=O)N)NCC(=O)N1[C@@H](C[C@@H]2[C@H]1N2)C(=O)NN1CCCC(C1)(C)C	PC-id_163690012	455.264	JSEGDIFVJAKSKU-WWMYMODYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-167072
CC(C)(C)[Si](C)(C)OC[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)F)N(CC3=CC=CC=C3)CC4=CC=CC=C4	PC-id_153516214	455.266	VOTMMIAAZVBMJA-MGCKMXKFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-167073
C[C@H]1CCC[C@@]2([C@@H](N2CCO)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C(=O)C)C	PC-id_149515942	455.288	ZJTZUWOXECSDED-WDPYGHNRSA-N	00100000000000000100010000000000000000000000000000000000	22-01-167074
[Sn](/C=C/[C@@]12O[C@@]1(CCCC2(C)C)C)(CCCC)(CCCC)CCCC	PC-id_11465224	455.296	LHCDEZNUISBDBD-XTJLUVPXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167075
[Sn](C=CC12OC1(CCCC2(C)C)C)(CCCC)(CCCC)CCCC	PC-id_72971977	455.296	LHCDEZNUISBDBD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167076
C1CC(N(C2C1C2)C(=O)c1c(ccc(c1)Cl)c1ncccn1)COc1ncc(cc1)Cl	PC-id_89822855	455.337	MHPGLZQCMJWSCB-UHFFFAOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-167077
Clc1ccc(c(c1)C(=O)N1[C@@H](CCC2C1C2)COc1ccc(cn1)Cl)c1ncccn1	SCHEMBL15281891	455.337	MHPGLZQCMJWSCB-WSGJVKOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-167078
Clc1ccc(c(c1)C(=O)N1[C@@H](CC[C@@H]2[C@H]1C2)COc1ccc(cn1)Cl)c1ncccn1	PC-id_71747177,SCHEMBL15265420	455.337	MHPGLZQCMJWSCB-GZRFBZBPSA-N	00100000000010111001110000000000000000000000000000000000	22-01-167079
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N#Cc1cccc(c1)C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2923538,PC-id_68442449	456.559	JGULJRYDSGIKSF-YPAWHYETSA-N	00100010100000110001110000000000000000000000000000000000	22-01-167303
N#Cc1ccc(cc1)C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2924837,PC-id_68442983	456.559	IDDKZFFAVTUDNY-YPAWHYETSA-N	00100010100000110001110000000000000000000000000000000000	22-01-167304
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)CNC(=O)c1cc(ccc1)C#N)c1cc(ccc1)C	PC-id_57489211	456.559	JGULJRYDSGIKSF-FKBYEOEOSA-N	00100010100000110001110000000000000000000000000000000000	22-01-167305
s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)CNC(=O)c1ccc(cc1)C#N)c1cc(ccc1)C	PC-id_57489212	456.559	IDDKZFFAVTUDNY-FKBYEOEOSA-N	00100010100000110001110000000000000000000000000000000000	22-01-167306
NNc1c(cc(c2c1C2)OC1(C)CC1)C(=C)c1ncnc(c1)N1CCN(CC1)S(=O)(=O)C	SCHEMBL19338915	456.561	VGKPZYYZLULGSD-UHFFFAOYSA-N	00100000000010100001110000000000000000000000000000000000	22-01-167307
CCC(CC1C(O1)C)C(=O)OC(C)COC(C)COC(C)COC(=O)C1CCC2C(C1)O2	PC-id_89302779,SCHEMBL14311135	456.57	YRKXILWNKPGVNK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167308
CC(C)(CCCC1C=CC(=C1)CCC(=O)C1=CC2C(=C1CCCC(C)(C)C(=O)O)O2)C(=O)O	PC-id_87504614,SCHEMBL3283416	456.571	RTLYAHKUDPGWMO-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-167309
CCCOc1c2c(c(cc1)CC(C)c1ccccc1OCC(CCOCC(C)O)OC=C)O2	SCHEMBL9756646,PC-id_88511314	456.571	OJOVJXXCBQLPDD-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-167310
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O(CC1[C@H]2[C@@H]1CCC#CCC2)C(=O)NCCOCCOCCOCCOCCOCCN	PC-id_75412392	456.573	SDTGWJRQARVBBH-CBQGHPETSA-N	00100000000000000110010000000000000000000000000000000000	22-01-167313
CCC(C(=O)C(=O)NCC=C)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C#N)C1CCCCC1	PC-id_89050281	456.578	IQEPNLHOZITFHI-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-167314
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C1CCCCC1)C#N)CC	SCHEMBL13272521	456.578	IQEPNLHOZITFHI-NDZPQQBLSA-N	00100010000010000000010000000000000000000000000000000000	22-01-167315
CC(C)Cc1cc(CNC(=O)C2C3CN(C(=O)Cc4ccccc4)CC23)nn1c1ccccc1	PC-id_86292750,SCHEMBL16241121,CHEMBL4451905	456.579	HHBXZUNQLWOTOK-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-167316
O=C(c1cnc(nc1NCc1ccc(c(c1)C)C)NCC1CCC2N1C2)NCc1ccccc1	SCHEMBL19157956	456.583	VPRTZBBZFNOWLD-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-167317
S(=O)(=O)(N/C(=N/CC1C2C1CN(C2CO)Cc1ccccc1)/N)c1c(cc(cc1C)C)C	PC-id_85235457	456.601	RFWZTXWICCDKIN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167318
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CCCCCC=CC1[C@@H]2[C@H]1CC(C2Cc1cccc(c1)OCC(=O)OC)OC(=O)C(C)(C)C	SCHEMBL11738703,PC-id_53776425	456.614	DSFTXADSDQXFHA-IPFLDBEHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-167320
O(C1C(C2C(C2C=CCCCCC)C1)Cc1cc(OCC(=O)OC)ccc1)C(=O)C(C)(C)C	PC-id_76068028	456.614	DSFTXADSDQXFHA-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-167321
C1(C2C1CCCC2)C(=O)N(c1ccccc1)CCN(c1ccccc1)C(=O)C1C2C1CCCC2	MCULE-2274638050,EMOLS-id_8832713,TIMTEC185758,PC-id_19577186	456.619	HBCYPGZSUKDUQV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167322
C1(C(=O)Nc2ccc(cc2C)c2ccc(c(C)c2)NC(=O)C2C3C2CCCC3)C2C1CCCC2	CK1151940,EMOLS-id_1172616,PC-id_2827903,MCULE-1814903724	456.619	DSECJNGYMJRIEH-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167323
Cc1cc(c2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)c(C)c2)ccc1NC(=O)C1[C@@H]2CCCC[C@@H]12	ZINC22_229899982	456.619	DSECJNGYMJRIEH-MOUTVQLLSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167324
Cc1cc(c2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)c(C)c2)ccc1NC(=O)C1[C@@H]2CCCC[C@@H]12	ZINC22_239297079	456.619	DSECJNGYMJRIEH-GJNSLUDJSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167325
Cc1cc(c2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)c(C)c2)ccc1NC(=O)C1[C@H]2CCCC[C@H]12	ZINC22_239297080	456.619	DSECJNGYMJRIEH-SXFUUEIQSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167326
Cc1cc(c2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]34)c(C)c2)ccc1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]12	CoCoCo_17071,ZINC22_239297078	456.619	DSECJNGYMJRIEH-CJHWAGARSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167327
O=Cc1cc(C)c(cc1C)C(=O)N1CCC(CC1)(CCN=C1CCCC2C1C2)c1ccccc1	PC-id_142909669	456.619	WNQNPVHXTKYYQO-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167328
O=C(C1[C@H]2CCCC[C@H]12)N(CCN(C(=O)C1[C@H]2CCCC[C@@H]12)c1ccccc1)c1ccccc1	PC-id_98310578,ZINC22_102436230	456.619	HBCYPGZSUKDUQV-GAKXKISESA-N	00100000000010110000010000000000000000000000000000000000	22-01-167329
O=C(C1[C@H]2CCCC[C@H]12)N(CCN(C(=O)C1[C@H]2CCCC[C@H]12)c1ccccc1)c1ccccc1	ZINC22_102436228,PC-id_98310577	456.619	HBCYPGZSUKDUQV-CQJMVLFOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167330
O=C(C1[C@H]2CCCC[C@H]12)N(CCN(C(=O)C1[C@@H]2CCCC[C@@H]12)c1ccccc1)c1ccccc1	ZINC22_102436234,PC-id_98310580	456.619	HBCYPGZSUKDUQV-YOXCBORPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167331
O=C(C1[C@@H]2CCCC[C@@H]12)N(CCN(C(=O)C1[C@@H]2CCCC[C@@H]12)c1ccccc1)c1ccccc1	ZINC22_229925979,PC-id_100872362	456.619	HBCYPGZSUKDUQV-VEYUFSJPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167332
O=C(C1[C@@H]2CCCC[C@@H]12)N(CCN(C(=O)[C@@H]1[C@H]2CCCC[C@@H]12)c1ccccc1)c1ccccc1	ZINC22_252427814	456.619	HBCYPGZSUKDUQV-KCYOCBRTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167333
O=C(C1[C@H]2CCCC[C@H]12)N(CCN(C(=O)[C@@H]1[C@H]2CCCC[C@@H]12)c1ccccc1)c1ccccc1	ZINC22_252427816	456.619	HBCYPGZSUKDUQV-YYDZWWTMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167334
O=C([C@@H]1[C@H]2CCCC[C@@H]12)N(CCN(C(=O)[C@@H]1[C@H]2CCCC[C@@H]12)c1ccccc1)c1ccccc1	ZINC22_252427815	456.619	HBCYPGZSUKDUQV-PLGSKLNOSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167335
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)Nc1ccc(cc1C)c1ccc(c(c1)C)NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_17072	456.619	DSECJNGYMJRIEH-DPBRMJAHSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167336
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)Nc1ccc(cc1C)c1ccc(c(c1)C)NC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2	CoCoCo_17073	456.619	DSECJNGYMJRIEH-PVOUDLBOSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167337
O=C(Nc1c(cc(c2cc(c(NC(=O)C3[C@@H]4[C@H]3CCCC4)cc2)C)cc1)C)C1[C@@H]2[C@H]1CCCC2	PC-id_2189469	456.619	DSECJNGYMJRIEH-JYVUKKEFSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167338
O=C(N(c1ccccc1)CCN(c1ccccc1)C(=O)C1[C@H]2[C@H]1CCCC2)C1[C@@H]2[C@H]1CCCC2	PC-id_100810435	456.619	HBCYPGZSUKDUQV-ZDLJBEOISA-N	00100000000010110000010000000000000000000000000000000000	22-01-167339
O=C(N(c1ccccc1)CCN(c1ccccc1)C(=O)C1[C@@H]2[C@H]1CCCC2)C1[C@@H]2[C@H]1CCCC2	PC-id_92852232	456.619	HBCYPGZSUKDUQV-PUQBPLPQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167340
N#C[C@H](c1ccc(cc1)c1ccc(cc1)CN1CCN(CC1)C)CNC(=O)C1CCCC2C1C2	PC-id_68292432,SCHEMBL12494268	456.622	QDTLIDPSOUTAJH-NWSXLFDYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-167341
O=C(NCC(c1ccc(cc1)c1ccc(CN2CCN(CC2)C)cc1)C#N)C1C2C(C2)CCC1	PC-id_77464041	456.622	QDTLIDPSOUTAJH-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-167342
S1(=O)(=O)N(C(C2OC2C(N1Cc1ccccc1)CC(C)C)CC(C)C)Cc1ccccc1	PC-id_72663103	456.641	FVRBICPIWWBYNX-UHFFFAOYSA-N	00100000000000110101010000000000000000000000000000000000	22-01-167343
S1(=O)(=O)N([C@H]([C@@H]2O[C@@H]2[C@@H](N1Cc1ccccc1)CC(C)C)CC(C)C)Cc1ccccc1	PC-id_60147527	456.641	FVRBICPIWWBYNX-ASDGIDEWSA-N	00100000000000110101010000000000000000000000000000000000	22-01-167344
CCC1(COC1)CO[Si](OCC1(CC)COC1)(OCC1OC1)CCC1CCC2C(C1)O2	SCHEMBL14007183,PC-id_59850407	456.645	XYGLYNKQENTEHF-UHFFFAOYSA-N	00101000000010000000010000000000000000000000000000000000	22-01-167345
[Si](OC1C(OCc2ccccc2)C2OC2OC1COCc1ccccc1)(C(C)(C)C)(C)C	PC-id_85310564	456.647	QKIDWXDYEJTINF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167346
[Si](O[C@H]1[C@H](OCc2ccccc2)[C@H]2O[C@H]2O[C@@H]1COCc1ccccc1)(C(C)(C)C)(C)C	PC-id_10906582	456.647	QKIDWXDYEJTINF-NHTNDUFYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167347
CC(C)(CCCCC1C=CC(=C1)CCC(=O)C1=CC2C(=C1CCCCC(C)(C)CO)O2)CO	SCHEMBL3279005,PC-id_87503839	456.657	BSJMFKVRDHHANA-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-167348
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C/C(=CCC[C@](CCC1=C(C)C(=O)C2(C(C1=O)(C)O2)C)(O)C)/CC/C=C(/CCC=C(C)C)C	PC-id_140947920	456.657	QDVGLFWJESTNCG-IEDDAOQPSA-N	00100000000011000000010000000000000000000000000000000000	22-01-167351
COCC(COC(=O)C1CC2SC2CC1C)(COC(=O)C1CC2SC2CC1C)CC	PC-id_122450366,SCHEMBL17972585	456.659	VXCFKGPLSHULJO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167352
C1CC2C(O2)CC1COS(=O)(=O)c1cc(ccc1)S(=O)(=O)OCC1CCC2C(C1)O2	PC-id_92020809	458.546	JCJIZXCDCFEWFH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167590
CCc1nn(c(c1C)C1CCN(CC1)C[C@H]1CN(CC1C)CC1(C[C@@H]2[C@H](C1)C2)C(=O)O)CC	PC-id_142138569	456.664	MBGHIUZMUIFIDQ-VPCPPNCNSA-N	00100010100010000001110000000000000000000000000000000000	22-01-167353
CC(=O)OCC1=C(CO[Si](C(C)(C)C)(C)C)[C@@H](O[Si](C(C)(C)C)(C)C)[C@H]2[C@@H](C1=O)O2	PC-id_101774938	456.72	LQIONKODVDFYBD-AQNXPRMDSA-N	00100000000011000000010000000000000000000000000000000000	22-01-167354
[Si](OC1C2OC2(C(O)C(=C1CO[Si](C(C)(C)C)(C)C)CO)CC=C)(C(C)(C)C)(C)C	PC-id_72753331	456.763	LYGLBNLJJAXCTK-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-167355
[Si](O[C@H]1[C@H]2O[C@]2([C@H](O)C(=C1CO[Si](C(C)(C)C)(C)C)CO)CC=C)(C(C)(C)C)(C)C	PC-id_11213245	456.763	LYGLBNLJJAXCTK-URFJDIBFSA-N	00100000000011000000010000000000000000000000000000000000	22-01-167356
[Si](O[C@@H](C/C(=C/[C@H]1OC(=O)[C@@H]2O[C@@H]2C1)/C)CO[Si](C(C)(C)C)(C)C)(C(C)(C)C)(C)C	PC-id_25022999	456.763	JWBLHIIEMSCDOU-NQXLPYQXSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167357
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CS(CCC1CCC2C(C1)C2)(CCCCCCS(CCC1CCC2C(C1)O2)(C)C)C	PC-id_142075609	456.831	GXQWPQJYTOSXCG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167359
C1CC2C(P2)N(C1COc1ncc(cc1)F)C(=O)c1c(ccc(c1)Cl)c1ncccn1	PC-id_89822865	456.837	KFJXQSIZJZBDLS-UHFFFAOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-167360
Clc1ccc(c(c1)C(=O)N1[C@@H](CC[C@@H]2[C@H]1P2)COc1ccc(cn1)F)c1ncccn1	SCHEMBL15281904	456.837	KFJXQSIZJZBDLS-QXATTWAWSA-N	00100000000010111001110000000000000000000000000000000000	22-01-167361
C[Si](O[Si](O[Si](CCC1CCC2C(C1)O2)(C)C)(C)C)(CCC1CCC2C(C1)O2)C	SCHEMBL13043006,PC-id_20730176	456.839	HDARIBFEXDXGFF-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167362
CC(O[Si](C(C(O[Si](C(C)(C)C)(CCC1CCCC2C1O2)C)(C)C)(C)C)(C)C)(C)C	PC-id_141794927	456.85	QTXMXDMJIJTQJZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167363
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Clc1cc(CNC(=O)[C@H]2N(C[C@H]3[C@@H]2C3)C(=O)[C@H](O)Cn2nccc2)c(n2nnnc2)cc1	SCHEMBL4204094,PC-id_25154110	456.886	BGQQZLLXBPBKKJ-PLYYQAHHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-167365
Clc1cc(CNC(=O)[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)[C@H](O)Cn2nccc2)c(n2nnnc2)cc1	SCHEMBL4199870,PC-id_25154109	456.886	ZVBFFZWPLCZMNY-GYIHYUDTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-167366
Clc1cccc(c1)CN(C(=O)Oc1ncn(c1)C)CC1C2C1CN(C2)CCC(F)(F)F	SCHEMBL15966963,PC-id_90353288	456.889	JKZHUAFBRNJDBC-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-167367
OC1CC2CC2CN(C1)S(=O)(=O)c1cc(ccc1F)C(=O)Nc1ccc(c(c1)Cl)F	SCHEMBL16903165,PC-id_118230096	456.891	QPGRDPFPUIIWMC-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-167368
CCOC(=O)C1(C)C2CC2C(=O)C(C1=O)C(=O)c1ccc(c(c1Cl)OC)S(=O)(=O)C	SCHEMBL9192135,PC-id_19748591	456.894	NLRIPQURUKPOOK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167369
CCOC(=O)[C@]1(C)[C@@H]2C[C@H]2C(=O)[C@@H](C1=O)C(=O)c1ccc(c(c1Cl)OC)S(=O)(=O)C	PC-id_18652765,SCHEMBL9192129	456.894	NLRIPQURUKPOOK-WCJXBULFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167370
Clc1ccc(c(c1)C(=O)N1C(CC[C@@H]2[C@H]1S2)COc1ccc(cn1)F)c1ncccn1	PC-id_145640706	456.92	JBZKQEPTHNPGFF-HOQNBJKYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-167371
Clc1c(Oc2ncnc(OCC34C(C3)CN(CC4)C(=O)OC(C)C)c2C)ccc(c1)C#N	PC-id_46931359,SCHEMBL10133916	456.922	KJIPOSFAGBGSAM-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-167372
Clc1c(Oc2ncnc(OCC34C(C3)CN(CC4)C(=O)OC(C)C)c2C)ccc([N+]#[C-])c1	SCHEMBL10116863,PC-id_58061852	456.922	URVTZKLUSCRGCY-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-167373
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Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2CC1COc1ccc(cn1)C(F)(F)F)n1cccn1	SCHEMBL7873848,PC-id_70213803	457.448	SLNOQRZNBKESPZ-LNKXUWQBSA-N	00100000100010101001110000000000000000000000000000000000	22-01-167417
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FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2n2nccn2)C)nc1	PC-id_75152771	457.452	DWNXBNJZSVKUDF-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-167426
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FC(F)(F)c1ncc(nc1)CCC1N(CC2C(C2)C1)C(=O)c1nc(ccc1n1nccn1)C	PC-id_76528596	457.452	WKZZYSLSBMCCAU-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-167428
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O(C(=O)C1C2C1CCC2(NC(=O)OCC=C)C(=O)OCc1ccc(OC(=O)C)cc1)CC=C	PC-id_23569533	457.473	SFQSECNGHRCNHO-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-167438
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FC(F)(F)c1cc(C(=O)N2C3C2CN(C3)C(=O)OCc2ccccc2)cc(c1)C(F)(F)F	PC-id_23655844,SCHEMBL3221352	458.354	XYBVHOMVCZLRKD-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167522
O(P12P(=O)(N1C(C)(C)C)N2C(C)(C)C)P12P(=O)(N1C(C)(C)C)N2C(C)(C)C	CT-id_7013803	458.393	SVWJKYOEXFFHHY-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-167523
C1C2C(C2C(=O)NCc2cc(ccc2)OC(F)(F)F)CN1Cc1ccc(cc1)C(F)(F)F	SCHEMBL708601,PC-id_87145257	458.397	ZIRHTBIZGRPGSQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167524
Ic1c(C[C@]2([C@@]3(O[Si](C)(C)C)C2CCCC3)C(=O)OC)cccc1	PC-id_16091276	458.406	HBFHCPYJJYUZMA-VITQDTLGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167525
Ic1c(CC2(C3(O[Si](C)(C)C)C2CCCC3)C(=O)OC)cccc1	PC-id_73240620	458.406	HBFHCPYJJYUZMA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167526
OC1CC2CC2CN(C1)S(=O)(=O)c1cc(ccc1F)C(=O)Nc1cc(F)c(c(c1)F)F	SCHEMBL16903186,PC-id_118230117	458.427	ROSMSEYBNJKPSF-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-167527
C/C(=CC=C
/C(=C)[C@H]2[C@@H](C2(O1)C)NC(=O)Nc1cc(c(cc1F)F)F)/Oc1cc(ncc1)N	SCHEMBL20747395,PC-id_137502860	458.433	YDZMBUHVQVQYQL-BKWGTTOVSA-N	00100010000000111000010000000000000000000000000000000000	22-01-167528
Cc1ccc(c(n1)C(=O)N1CC2C[C@@H]2C[C@H]1COc1ccc(cn1)C(F)(F)F)n1nccn1	PC-id_68040286,SCHEMBL10121829	458.436	CARXCAQTLYSLCF-BZEOVNSFSA-N	00100000100010101001110000000000000000000000000000000000	22-01-167529
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COc1ccc(cn1)C(F)(F)F)n1nccn1	SCHEMBL611430,PC-id_49801383	458.436	CARXCAQTLYSLCF-VYDXJSESSA-N	00100000100010101001110000000000000000000000000000000000	22-01-167530
Cc1ccc(c(n1)C(=O)N1C[C@H]2C[C@H]2C[C@H]1COc1nccc(c1)C(F)(F)F)n1nccn1	PC-id_49802827,SCHEMBL609130	458.436	OVCKHYZCARDRLN-UXLLHSPISA-N	00100000100010101001110000000000000000000000000000000000	22-01-167531
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COc1nccc(c1)C(F)(F)F)n1nccn1	SCHEMBL607946,PC-id_49800529	458.436	OVCKHYZCARDRLN-VYDXJSESSA-N	00100000100010101001110000000000000000000000000000000000	22-01-167532
FC(F)(F)c1ccc(OCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2n2nccn2)C)nc1	PC-id_75282116	458.436	CARXCAQTLYSLCF-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-167533
FC(F)(F)c1cc(OCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2n2nccn2)C)ncc1	PC-id_75281840	458.436	OVCKHYZCARDRLN-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-167534
Cc1ccc(c(n1)C(=O)N1C[C@H]2C[C@H]2C[C@H]1CNc1cnc(cn1)C(F)(F)F)n1nccn1	SCHEMBL261968,PC-id_46221496	458.44	SFTACVHZZFEMFV-ZNMIVQPWSA-N	00100000100010101001110000000000000000000000000000000000	22-01-167535
FC(F)(F)c1ncc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2n2nccn2)C)nc1	PC-id_75153339	458.44	SFTACVHZZFEMFV-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-167536
O=C(C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(C(=O)c1cccc(c1F)C(F)(F)F)(C)C	PC-id_117711545	458.446	XUVDHUSTWCEXBA-NNQSOWQGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167537
O=C([C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)NC(C(=O)c1cccc(c1F)C(F)(F)F)(C)C	SCHEMBL16255983	458.446	XUVDHUSTWCEXBA-NHAGDIPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167538
O1C2C(OC(=O)c3ccccc3)(C2)C(OC(=O)c2ccccc2)C1COC(=O)c1ccccc1	PC-id_77431323	458.459	OOCVUFXFXGBZIT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167539
O1[C@@H]2C(OC(=O)c3ccccc3)(C2)C(OC(=O)c2ccccc2)[C@H]1COC(=O)c1ccccc1	PC-id_68229629,SCHEMBL12281781	458.459	OOCVUFXFXGBZIT-GGZQHJCVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167540
O1C2C1C(OC2CN1C(=O)N(CC2OC(C3OC23)C(OC)OC)C(=O)CC1)C(OC)OC	PC-id_74033679	458.46	NOUWLCZWEJQXDV-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-167541
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)C1N(CC2C1C2)Cc1ccc(cc1)C(F)(F)F	SCHEMBL14486943,PC-id_71186621	458.473	XGPKDWWGFSQLNG-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-167542
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1CC2C(N1Cc1ccc(cc1)C(F)(F)F)C2	SCHEMBL16584605,PC-id_117966734	458.473	WFKXPTWMEZWMPB-FBPXKMNZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-167543
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1CC2C(N1Cc1cccc(c1)C(F)(F)F)C2	SCHEMBL16584826,PC-id_117966919	458.473	NRVMAJRQSXJZEA-FBPXKMNZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-167544
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1C[C@H]2[C@H](N1Cc1ccc(cc1)C(F)(F)F)C2	PC-id_117966683,SCHEMBL16584544	458.473	WFKXPTWMEZWMPB-IOMROCGXSA-N	00100010000000110000110000000000000000000000000000000000	22-01-167545
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1C[C@@H]2[C@H](N1Cc1ccc(cc1)C(F)(F)F)C2	PC-id_71204698,SCHEMBL14555974	458.473	WFKXPTWMEZWMPB-DUXKGJEZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-167546
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1C[C@@H]2[C@@H](N1Cc1ccc(cc1)C(F)(F)F)C2	SCHEMBL14486546,PC-id_71186385	458.473	WFKXPTWMEZWMPB-JRGCBEDISA-N	00100010000000110000110000000000000000000000000000000000	22-01-167547
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1C[C@H]2[C@@H](N1Cc1ccc(cc1)C(F)(F)F)C2	SCHEMBL14486548,PC-id_71186387	458.473	WFKXPTWMEZWMPB-DZFGPLHGSA-N	00100010000000110000110000000000000000000000000000000000	22-01-167548
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1C[C@@H]2C(N1Cc1ccc(cc1)C(F)(F)F)C2	PC-id_144502007	458.473	WFKXPTWMEZWMPB-UBCDJDFNSA-N	00100010000000110000110000000000000000000000000000000000	22-01-167549
FC(F)(F)c1ccc(CN2C3C(C3)CC2C(=O)NC2(CC2)c2ccc(cc2)C(=O)OC)cc1	PC-id_78024206	458.473	WFKXPTWMEZWMPB-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-167550
FC(F)(F)c1ccc(CN2C3C(C3)CCC2C(=O)NC2(CC2)c2ccc(cc2)C(=O)O)cc1	PC-id_78035873	458.473	BNXIFJWQPYTJBN-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167551
FC(F)(F)c1ccc(CN2[C@@H]3[C@@H](C3)CC[C@@H]2C(=O)NC2(CC2)c2ccc(cc2)C(=O)O)cc1	PC-id_71204674,SCHEMBL14555928	458.473	BNXIFJWQPYTJBN-UIFIKXQLSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167552
FC(F)(F)c1cc(CN2CC3C(C3)CC2C(=O)NC2(CC2)c2ccc(cc2)C(=O)O)ccc1	SCHEMBL14486462,PC-id_71186318	458.473	UZPMYEPNXCRLLY-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167553
O=C(C1C[C@@H]2C[C@@H]2CN1Cc1cccc(c1)C(F)(F)F)NC1(CC1)c1ccc(cc1)C(=O)O	PC-id_117973043,SCHEMBL16592334	458.473	UZPMYEPNXCRLLY-GARIHTGFSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167554
O=C(C1C[C@@H]2C[C@@H]2CN1Cc1ccc(cc1)C(F)(F)F)NC1(CC1)c1ccc(cc1)C(=O)O	SCHEMBL16592219,PC-id_117972937	458.473	BEUQPJMSVYNQEM-GARIHTGFSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167555
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)C1CC2CC2CN1Cc1ccc(cc1)C(F)(F)F	PC-id_71186249,BindingDB_PC-id_71186249,BindingDB-id_342451,SCHEMBL14486373	458.473	BEUQPJMSVYNQEM-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167556
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1CCC2CC2N1Cc1ccc(cc1)C(F)(F)F	BindingDB-id_342452,PC-id_71502439,BindingDB_PC-id_71502439,SCHEMBL16584716	458.473	BNXIFJWQPYTJBN-TWMPVWRBSA-N	00100000000010110000110000000000000000000000000000000000	22-01-167557
Cc1nc(c(cc1)n1cc(nc1)C(F)(F)F)C(=O)N1CC2CC2CC1CN=C(C=C)NC=C	PC-id_91205335	458.479	QVSWLCTYCLQLJM-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-167558
CC(C(=O)OCC1=CC=CC2C1O2)(C1(CCCCC1)C(=O)c1c(cccc1OC)OC)P	PC-id_87923310,SCHEMBL5994317	458.484	VKDROPHKRQPGRC-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-167559
BrC1C2N(S(=O)(=O)c3ccc(cc3)C)C2C=CC1O[Si](C(C)(C)C)(C)C	PC-id_85200552	458.485	GJEDCZZTNXGVAP-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-167560
Br[C@H]1[C@@H]2N(S(=O)(=O)c3ccc(cc3)C)[C@@H]2C=C[C@@H]1O[Si](C(C)(C)C)(C)C	PC-id_10599956	458.485	GJEDCZZTNXGVAP-GDYJBXPASA-N	00100000000011110000010000000000000000000000000000000000	22-01-167561
Fc1cc(OCC23CCCCC2C3(F)F)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1	BindingDB_PC-id_86703735,PC-id_86703735,SCHEMBL16448545,BindingDB-id_282032	458.494	YXSMNJJREGDZRE-UHFFFAOYSA-N	00101000000010110000110000000000000000000000000000000000	22-01-167562
Fc1cc(OC[C@]23CCCC[C@H]2C3(F)F)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1	PC-id_117860204,SCHEMBL16448729	458.494	YXSMNJJREGDZRE-UYAOXDASSA-N	00101000000010110000110000000000000000000000000000000000	22-01-167563
Fc1cc(OC[C@@]23CCCC[C@@H]2C3(F)F)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1	SCHEMBL16448739,PC-id_117860210	458.494	YXSMNJJREGDZRE-ICSRJNTNSA-N	00101000000010110000110000000000000000000000000000000000	22-01-167564
Fc1cc(OCC2CCC3C(C2)C3(F)F)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1	PC-id_86703742,BindingDB-id_282064,BindingDB_PC-id_86703742,SCHEMBL16448561	458.494	FMYQPHFDUVYTAS-UHFFFAOYSA-N	00101000000010110000110000000000000000000000000000000000	22-01-167565
CCc1ccc(c(c1)F)Nc1ncnc(c1F)OCC12CCN(CC2C1)C(=O)OC1(C)CC1	PC-id_58061858,SCHEMBL10116629	458.501	QZGVZUSBFRIMJD-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-167566
C[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)C)CC(F)(F)F)C2(C)C)C1CCCCC1	PC-id_117744703,SCHEMBL16300792	458.514	OYYCVHVNEDWYPR-SEVZYQJJSA-N	00100010000010000000010000000000000000000000000000000000	22-01-167567
CCO[C@H](C(=O)OCC)Cc1ccc(cc1)OCCN[C@@H]1[C@@H]2C1CN(C2)CCC(F)(F)F	SCHEMBL4756339	458.514	NWNKUPRFLAVSFP-UDEWTMQYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167568
FC(F)(F)CCN1CC2C(C2NCCOc2ccc(cc2)CC(OCC)C(=O)OCC)C1	PC-id_74325065	458.514	NWNKUPRFLAVSFP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167569
FC(F)(F)CCN1CC2[C@@H](C2NCCOc2ccc(cc2)C[C@H](OCC)C(=O)OCC)C1	PC-id_69176428	458.514	NWNKUPRFLAVSFP-QEMIJWRASA-N	00100010000000110000010000000000000000000000000000000000	22-01-167570
FC(F)(F)CCN1C[C@@H]2[C@@H](C2NCCOc2ccc(cc2)C[C@H](OCC)C(=O)OCC)C1	PC-id_24821389	458.514	NWNKUPRFLAVSFP-HWPVKAJDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167571
FC(F)(F)c1ccc(CN2CC3C(C3NC(=O)C(O)(C3CCCC3)c3ccccc3)C2)cc1	SCHEMBL4076974,PC-id_68902951	458.516	CYWMNWNOZZOWLL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167572
FC(F)(F)c1ccc(CN2CC3[C@@H](C3NC(=O)C(O)(C3CCCC3)c3ccccc3)C2)cc1	PC-id_68902954	458.516	CYWMNWNOZZOWLL-VZUXVUPXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167573
FC(F)(F)c1ccc(CN2C[C@H]3[C@H](C3NC(=O)C(O)(C3CCCC3)c3ccccc3)C2)cc1	PC-id_10411834	458.516	CYWMNWNOZZOWLL-PMLGBOFDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167574
O=C(C(c1ccccc1)(C1CCCC1)O)N[C@@H]1[C@@H]2C1CN(C2)Cc1ccc(cc1)C(F)(F)F	SCHEMBL4076978	458.516	CYWMNWNOZZOWLL-FKJJIZJTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167575
COc1c(ncnc1Nc1ccc(cc1F)CC)OCC12CCN(CC2C1)C(=O)OC(C)C	SCHEMBL10116621,PC-id_58061805	458.526	HVAOSPRNPZYFCZ-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-167576
S(=O)(=O)(N1C2C1C(NC(=O)OCc1ccccc1)CC2COC(=O)C)c1ccc(cc1)C	PC-id_85383873	458.527	DDGNMBQTQXSOAZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167577
S(=O)(=O)(N1[C@@H]2[C@H]1[C@@H](NC(=O)OCc1ccccc1)C[C@H]2COC(=O)C)c1ccc(cc1)C	PC-id_11059552	458.527	DDGNMBQTQXSOAZ-IXMIGLBMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-167578
S(=O)(=O)(N(C(=O)C1N2OC2CC1)C(Cc1ccccc1)C(=O)OCC)c1ccc(cc1)C	PC-id_76634874	458.527	GGGRAQDVBIYVOO-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-167579
S(=O)(=O)(N(C(=O)[C@H]1N2OC2CC1)[C@@H](Cc1ccccc1)C(=O)OCC)c1ccc(cc1)C	PC-id_57142911	458.527	GGGRAQDVBIYVOO-SZYSUKIFSA-N	00100010000000110001010000000000000000000000000000000000	22-01-167580
Cc1nc(c(cc1)c1ncc(cn1)C)C(=O)N1CC2C(C2=C)CC1CNc1ncc(cc1)CF	PC-id_90905690	458.531	KPILQPLRKPSESO-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-167581
COC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)CNc1ncccc1C(=[NH2+])C(=O)C)C2)CC(C)C	PC-id_144412829	458.531	GWKWNWNCTKVLAB-SPUZQDLCSA-O	00100010000000101000010000000000000000000000000000000000	22-01-167582
CCC(c1nccs1)NC1=C(Nc2cccc(c2O)C(=O)N(C)C)C(=O)N(NC2C1O2)C	PC-id_142262708	458.534	MAAODSUNMIVOIU-UHFFFAOYSA-N	00100000100000110111010000000000000000000000000000000000	22-01-167583
Fc1cc(cc(c1OCC1C2[C@H]1CN(C2)CC(F)(C)C)F)C1=CCN(CC1)S(=O)(=O)C	PC-id_144354889	458.537	ZYOQSEUHNLJTIA-WWDZGPRUSA-N	00100010000011110000110000000000000000000000000000000000	22-01-167584
C1CC2C(C1)(O2)C(C12CCCC1O2)(C1CO1)OC(C12CCCC1O2)(C12CCCC1O2)C1CO1	PC-id_141065828	458.544	UJNGOUDKKJQMFN-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-167585
C1CC(C2C1O2)C(C1CCC2C1O2)(C1CO1)OC(C1CCC2C1O2)(C1CCC2C1O2)C1CO1	PC-id_140042896	458.544	VHVIAJLASBAUTG-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-167586
CC(=O)O[C@H]1/C(=C/[C@@H]2[C@H](C[C@@H](OC(=O)CCc3ccccc3)/C(=C/[C@H]1O)/CO)[C@]2(C)CO)/C	CHEMBL4639583	458.544	RDUOVYYVXBODSH-AKNAUCCQSA-N	00100000000000110110010000000000000000000000000000000000	22-01-167587
CC(=O)O[C@@H]1/C=C(CO)/[C@H](OC(=O)CCc2ccccc2)C[C@H]2[C@@H](/C=C(C)/[C@@H]1O)[C@@]2(C)CO	CHEMBL4635302	458.544	MWSZVPNHGVIHME-AKNAUCCQSA-N	00100000000000110110010000000000000000000000000000000000	22-01-167588
O1C2C1CC(C(C2)C(=O)CC(=O)CC1CC2OC2CC1)C(=O)CC(=O)CC1CC2OC2CC1	PC-id_59917818	458.544	CINSNQXMRVVQAH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167589
COC(C1CC2C(N1C(=O)OC(C)(C)C)C2)C(C(=O)N1C(=O)OC(C1C)c1ccccc1)C	PC-id_145356521	458.547	ALSWDUAITSMXMK-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-167594
COC([C@@H]1C[C@H]2[C@@H](N1C(=O)OC(C)(C)C)C2)C(C(=O)N1C(=O)O[C@H]([C@H]1C)c1ccccc1)C	SCHEMBL19664107	458.547	ALSWDUAITSMXMK-TYHYZIBRSA-N	00100010000000110001110000000000000000000000000000000000	22-01-167595
COC([C@@H]1C[C@H]2C(N1C(=O)OC(C)(C)C)C2)[C@H](C(=O)N1C(=O)OC([C@H]1C)c1ccccc1)C	PC-id_122494629,SCHEMBL18023499	458.547	ALSWDUAITSMXMK-WVQZYNFOSA-N	00100010000000110001110000000000000000000000000000000000	22-01-167596
CO[C@@H](C1CC2C(N1C(=O)OC(C)(C)C)C2)[C@H](C(=O)N1C(=O)O[C@H]([C@H]1C)c1ccccc1)C	SCHEMBL19664104	458.547	ALSWDUAITSMXMK-TUEHCXRRSA-N	00100010000000110001110000000000000000000000000000000000	22-01-167597
CO[C@@H]([C@@H]1C[C@H]2[C@@H](N1C(=O)OC(C)(C)C)C2)[C@H](C(=O)N1C(=O)O[C@H]([C@H]1C)c1ccccc1)C	SCHEMBL19664106	458.547	ALSWDUAITSMXMK-IUAIVACJSA-N	00100010000000110001110000000000000000000000000000000000	22-01-167598
CO[C@@H]([C@@H]1C[C@@H]2C(N1C(=O)OC(C)(C)C)C2)[C@H](C(=O)N1C(=O)O[C@H]([C@H]1C)c1ccccc1)C	SCHEMBL19671443	458.547	ALSWDUAITSMXMK-SOGHALGNSA-N	00100010000000110001110000000000000000000000000000000000	22-01-167599
COc1cc(OC)ccc1c1ccccc1N(C(=O)OC1C2C1CN(C2)Cc1ccccc1)C	PC-id_145730328	458.549	ULMPQOGKNBGUQE-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-167600
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CC(Cc1nnc(n1c1ccc(cc1)N(C)C)SC(C12C=CC=CC1C2)C1=CCCC=C1)C	PC-id_143038482	458.661	QGDGTPCPHLXKGO-UHFFFAOYSA-N	00100000100011110001110000000000000000000000000000000000	22-01-167628
[Si]([C@]12C(C1C[C@H](OC(=O)C)[C@@H]([C@H]2OC(=O)C)C)(COCc1ccccc1)C)(CC=C)(C)C	PC-id_10004342	458.662	KQJPELRUNJJVCJ-RUYUGPSQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167629
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[Si](OC1C2OC2CCC1OCc1ccccc1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72980806	458.664	CRXBNMDJYAHJKG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167631
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COCC(COC(=O)C1CC2SC2CC1C)(COC(=O)C1CC(S)CCC1C)CC	PC-id_122453837,SCHEMBL17976859	458.675	IVDOMLHAPFHSJU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167633
CCC1=C(C2(C(C2C(=C1OCCCC(=C)CCCC(C)CCCC(C)C)C)C)CC(=O)O)C	PC-id_89301054	458.716	GULROZMWNKXDRZ-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-167634
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CO[Si](CC[Si](CCC1CCC2C(C1)O2)(OC)OC)(CCC1CCC2C(C1)O2)OC	PC-id_140784894	458.736	QGFGFRMOVCEYQM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167637
[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(CCC1CC2OC2CC1)(C)C	PC-id_58372472	458.739	RBGBOQPMXVHRSX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-167638
CS(CCC1CCC2C(C1)O2)(CCCCCCS(CCC1CCC2C(C1)O2)(C)C)C	PC-id_142075612	458.804	XYTWETBABMMHNU-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-167639
CC1CC(C1C)CCC(C)CCCC12CC(CCC1C2)C(C)CCCC(C)CCCC(C)C	PC-id_91461255	458.845	KNSLSZLWWQGBIK-UHFFFAOYSA-N	00101000000010000000010000000000000000000000000000000000	22-01-167640
Clc1c(Oc2ncnc(OCC34C(C3)CN(CC4)C(=O)OC(C)C)c2O)ccc(c1)C#N	SCHEMBL10134296,PC-id_68043503	458.895	LVIVTJXEBKAATR-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-167641
ClC1=CC(=CCC1Oc1ncnc(OCC23C(C2)CN(CC3)C(=O)OC(C)C)c1C)C#N	PC-id_70843190,SCHEMBL13144582	458.938	ANLJFORNHGMYHX-UHFFFAOYSA-N	00100000000011100001010000000000000000000000000000000000	22-01-167642
Clc1ccc(c(c1)CNC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H](C1CCCCC1)O)n1cnnn1	PC-id_25154293,SCHEMBL4199551	458.941	CZLLQTSKOUJVET-PERKRYKHSA-N	00100010100010110001110000000000000000000000000000000000	22-01-167643
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O=C([C@H]1C[C@@H]2[C@H](N1C(=O)c1ccccc1N)C2)N[C@@H](c1ccc(cc1F)C(F)(F)F)C1CC1	PC-id_138472812,SCHEMBL20819166	461.452	WVEPRNZYCQTDGT-PJBPFLDMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168035
S(=O)(=O)(N1[C@@](C2[C@@](C2)(C1)/C=C/C(=O)OCC)(C(F)(F)F)C(=O)OC)c1ccc(cc1)C	PC-id_56594407	461.452	ZAZXNLRERDKSKA-HULBIGLMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168036
S(=O)(=O)(N1C(C2C(C2)(C1)C=CC(=O)OCC)(C(F)(F)F)C(=O)OC)c1ccc(cc1)C	PC-id_76370909	461.452	ZAZXNLRERDKSKA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168037
CC(C)(C)OC(=O)N1C2C1C2C(C1(C2C1C2C(=O)Nc1c(c(c(cc1)OC)C(=O)N)O)O)O	PC-id_89399723,SCHEMBL14670818	461.465	CBVSKSNKRUYRDD-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-168038
CN(Cc1ccccc1)C(=O)CN1CC2C(C1)C2CNC(=O)c1cc(ccc1)OC(F)(F)F	SCHEMBL15967025,PC-id_90353345	461.477	LKLSCDRYUXXMPO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168039
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(c(cc1)F)F	PC-id_89238450,SCHEMBL14057198	461.482	QMCUJENBNPWMJJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168040
COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CCCCC2C3(F)F)cc1F	BindingDB_PC-id_86703678,PC-id_86703678,SCHEMBL15537549,BindingDB-id_282030	461.495	KOQAMBYZANNPRS-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-168041
CCOC(=O)C1C2C1C(CC2NC(=O)c1ccccn1)(NC(=O)OC(C)(C)C)C(=O)OCC	SCHEMBL6908119,PC-id_69934053	461.508	TWVLZQXKGNCCCU-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-168042
CCOC(=O)[C@H]1C2C1C(CC2NC(=O)c1ccccn1)(NC(=O)OC(C)(C)C)C(=O)OCC	SCHEMBL6908122,PC-id_69934054	461.508	TWVLZQXKGNCCCU-UFPGHULXSA-N	00100010000010101000010000000000000000000000000000000000	22-01-168043
COc1cccc(c1)c1cccc(c1)C(C1NC2OC2N(C1=O)CC(Nc1ccccc1)O)O	PC-id_144270744	461.51	GTRDSEDOEWFYLY-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-168044
CC/C=C(C(=NC)C(F)(F)F)/OCC(NC(=O)C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C)(C)C	PC-id_144745312	461.518	OJOPPXWYTPLXEW-OIKMBORYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-168045
FC(F)(F)Oc1cc(CNCC2C3C2CN(C3)CC(=O)N(CCc2ccccc2)C)ccc1	PC-id_69470039,SCHEMBL5510551	461.52	MZXJJPHCEFVKRK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168046
CC(=S)NC[C@@H]1OC(=O)N(C1)c1cc(F)c(c(c1)F)NC1=CC(=CC=CC2C1O2)C(C)C	PC-id_143554829	461.525	GYOPSSFFXWQVIQ-LYGRKUJNSA-N	00100010000000110111110000000000000000000000000000000000	22-01-168047
CCc1cnc(o1)c1c(nc(cc1)C)C(=O)N1CC2C(C2=C)CC1CNc1ncc(cc1)CF	PC-id_91078820	461.531	MEZBMPQNXYBLRT-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-168048
Fc1cc(NC(=O)C2C3C2CN(C3)Cc2ccc(n3ccnc3)cc2)ccc1N1CCOCC1	SCHEMBL4419442,PC-id_69036450	461.531	QQYWMRIOKZVVOH-UHFFFAOYSA-N	00100010100010110001110000000000000000000000000000000000	22-01-168049
OP(=O)OCCCNCc1ccc(cc1)CCC(=O)N1CCC2C(C(=C)C(=N1)C)C2(C)C	SCHEMBL15978913	461.534	MAGLEHLARWHUJC-UHFFFAOYSA-N	00100000000000110111010000000000000000000000000000000000	22-01-168050
Cc1nc(c(cc1)n1nc(c(n1)C)C)C(=O)N1CC2C(C2=C)CC1CNc1ncc(cc1)CF	PC-id_91615814	461.535	JGHMTRNAKPUHIL-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-168051
Cc1c(ncnc1OCC12CCN(CC1C2)C(=O)OC(C)C)Oc1c(cc(cc1)SC)F	PC-id_91334029	461.55	BSWOUZMNDRSRPW-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-168052
COc1ccc(cc1)S(=O)(=O)N1CC2C(C1)C2CNc1ccc(c(c1)F)N1CCOCC1	PC-id_69033940,SCHEMBL4413584	461.55	SOAJCTBPBMCECS-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-168053
C/C=C/1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)OC1C[C@@H]2[C@H](C1)C2)C(=O)O	PC-id_145545674	461.551	ANTNMIYUYFWTLG-ZNLASKANSA-N	00100010000010000000010000000000000000000000000000000000	22-01-168054
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)OC1CC2[C@H](C1)C2)C(=O)O	PC-id_70281996,SCHEMBL8126617	461.551	YNVIKOZEOVDEDH-ZHZPGEDHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-168055
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1CC2[C@@H](C1)C2)C(=O)O	SCHEMBL8139992	461.551	YNVIKOZEOVDEDH-KXSOBACDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-168056
CC[C@@H]1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@H]1C[C@@H]2C(=C2)C1)C(=O)O	SCHEMBL18928784	461.551	OXGOPABWUWXABS-WMSQTQJRSA-N	00110010000000000000010000000000000000000000000000000000	22-01-168057
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]2[C@@H](C1)C2)C(=O)O	SCHEMBL8130769	461.551	YNVIKOZEOVDEDH-FHGFLMPISA-N	00100010000010000000010000000000000000000000000000000000	22-01-168058
C=C[C@@H]1CC1(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]2[C@@H](C1)C2)C(=O)O	SCHEMBL8137060	461.551	YNVIKOZEOVDEDH-GORAOVQDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-168059
O1C(C2N(C2C1=O)Cc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_85425860	461.551	RVQILZDTYYDJAG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168060
O1[C@@H]([C@H]2N([C@H]2C1=O)Cc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_11178693	461.551	RVQILZDTYYDJAG-CWQCAHLGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168061
O(C1CC2C(C2)C1)C(=O)NC(C(C)(C)C)C(=O)N1C(C(=O)NC2(C(C2)C=C)C(=O)O)CCC1	PC-id_77810654	461.551	YNVIKOZEOVDEDH-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-168062
O(C1CC2[C@H](C2)C1)C(=O)N[C@@H](C(C)(C)C)C(=O)N1[C@H](C(=O)N[C@]2([C@@H](C2)C=C)C(=O)O)CCC1	PC-id_70285946	461.551	YNVIKOZEOVDEDH-FFMJDSIMSA-N	00100010000010000000010000000000000000000000000000000000	22-01-168063
O(C1C[C@@H]2[C@@H](C2)C1)C(=O)N[C@@H](C(C)(C)C)C(=O)N1[C@H](C(=O)N[C@]2([C@@H](C2)C=C)C(=O)O)CCC1	PC-id_70283184	461.551	YNVIKOZEOVDEDH-JPVHFAATSA-N	00100010000010000000010000000000000000000000000000000000	22-01-168064
O(C1C[C@@H]2[C@@H](C2)C1)C(=O)N[C@@H](C(C)(C)C)C(=O)N1[C@H](C(=O)NC2([C@@H](C2)C=C)C(=O)O)CCC1	PC-id_70285068	461.551	YNVIKOZEOVDEDH-XGZOZPOWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-168065
CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc1ccccc1)C(=O)N1C(CC2C1C2)C#N	PC-id_89528649	461.553	VRRKAPDDLISBKN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168066
N#C[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@H](Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C)C2	PC-id_142085434	461.553	VRRKAPDDLISBKN-KJBBBAAKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168067
N#C[C@@H]1C[C@H]2C(N1C(=O)C(Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C)C2	SCHEMBL14898999	461.553	VRRKAPDDLISBKN-JKLRMWSDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168068
COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C)C(C)(C)C	BindingDB-id_1068221	461.554	TXFALORVHGHNIZ-KBCNZALWSA-N	00100010000000000000010000000000000000000000000000000000	22-01-168069
COC(=O)[C@@]1([C@H]2C[C@]2(CN1S(=O)(=O)c1ccc(cc1)C)/C=C[Si](C)(C)C)C(F)(F)F	PC-id_139039698,1506663_OpenMolecule	461.57	TWRCBQZWCJNNSY-NJQHHYGXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168070
COc1cc(ccc1n1cnc(c1)C)/C=C/1CCCN(C1=O)[C@H](C1=CC=C(C2C1C2)F)C(C)C	PC-id_143143675	461.571	DDGCENXTKGIKEK-BITUBWKKSA-N	00100000100011110001110000000000000000000000000000000000	22-01-168071
Cc1ccc(cc1)S(=O)(=O)N1/C(=Cc2ccccc2)/[C@H]2[C@@]([C@H]1COCc1ccccc1)(O2)C	PC-id_102075083	461.573	NYSYBOQQKHLVQW-KUUNNQFNSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168072
COc1cccc(c1)C(=O)NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68444051,SCHEMBL2927550	461.576	SHTMHPMOQYDXQD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168073
COc1ccc(cc1)C(=O)NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68445175,SCHEMBL2930469	461.576	YTVQSQOBDJBMFN-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168074
COc1cccc(c1)C(=O)NCC1CC2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1572068,PC-id_67081333	461.576	AGOAENRCPQZMFP-AOMIVXANSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168075
COc1ccc(cc1)C(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68445178,SCHEMBL2930473	461.576	YTVQSQOBDJBMFN-PSQUCKQXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168076
COc1ccccc1C(=O)NC[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL1339924,PC-id_66998616	461.576	DFFRYSURYKQACR-MNBHBKLXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168077
COc1cccc(c1)C(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2927555,PC-id_68444052	461.576	SHTMHPMOQYDXQD-PSQUCKQXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168078
COc1cccc(c1)C(=O)NC[C@@H]1C[C@@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081505,SCHEMBL1572355	461.576	AGOAENRCPQZMFP-ONTIZHBOSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168079
COc1ccccc1C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1572010,PC-id_67081293	461.576	FRLZJQLSPCJJQU-DYXWJJEUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168080
COc1ccccc1C(=O)NC[C@@H]1C[C@@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1572011,PC-id_67081294	461.576	FRLZJQLSPCJJQU-ZJOUEHCJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168081
COc1cccc(c1)C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1572353,PC-id_67081503	461.576	AGOAENRCPQZMFP-URVUXULASA-N	00100010100000110001110000000000000000000000000000000000	22-01-168082
COc1cccc(c1)C(=O)NC[C@@H]1C[C@H]2C(N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081506,SCHEMBL1572356	461.576	AGOAENRCPQZMFP-MFCMXAAESA-N	00100010100000110001110000000000000000000000000000000000	22-01-168083
COc1ccccc1C(=O)NC[C@@H]1C[C@H]2C(N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1572013,PC-id_67081296	461.576	FRLZJQLSPCJJQU-QSJYAPKHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168084
COc1cccc(c1)C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_24816127,SCHEMBL2927553	461.576	SHTMHPMOQYDXQD-CEMLEFRQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168085
COc1ccccc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL1339923,PC-id_66998615	461.576	DFFRYSURYKQACR-SESVDKBCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168086
COc1ccc(cc1)C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2930471,PC-id_68445177	461.576	YTVQSQOBDJBMFN-CEMLEFRQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168087
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CNC(=O)c1cc(OC)ccc1)c1cc(ccc1)C	PC-id_77222950	461.576	AGOAENRCPQZMFP-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168088
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CNC(=O)c1c(OC)cccc1)c1cc(ccc1)C	PC-id_77222932	461.576	FRLZJQLSPCJJQU-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168089
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CNC(=O)c1c(OC)cccc1)c1cc(ccc1)C	PC-id_77247805	461.576	DFFRYSURYKQACR-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168090
O=C(C1=CC=C[C@@H]2C1O2)N1CCCC(C1)Nc1ncc(c(n1)[NH2+]c1ccc(cc1)C(C)(C)C)N	PC-id_143285018	461.579	XLKLEKVROQEVJK-NFOQDIRWSA-O	00100000000011110001010000000000000000000000000000000000	22-01-168091
OC(C(Cc1cc(F)cc(c1)F)NC(=O)C)CNC1(N(/C=CC=C(C)C)C)C2C1CCCC2	PC-id_143445513	461.588	BZLFHKMFVQYDKV-XFFZJAGNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-168092
O(C1CC2C(C2(C)C)CC1(OC)C)C1C(N(C1=O)C=Cc1ccccc1)c1ccc(OC)cc1	PC-id_85163231	461.592	MXSXXPSPRWZNKW-UHFFFAOYSA-N	00101000000010110000110000000000000000000000000000000000	22-01-168093
O([C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(OC)C)[C@H]1[C@H](N(C1=O)c1ccc(OC)cc1)/C=C/c1ccccc1	PC-id_11363192	461.592	VFSNJIDQHWBEOQ-XTQMGIJSSA-N	00101000000010110000110000000000000000000000000000000000	22-01-168094
O([C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(OC)C)[C@H]1[C@H](N(C1=O)/C=C/c1ccccc1)c1ccc(OC)cc1	PC-id_10504222	461.592	MXSXXPSPRWZNKW-WNPNOLRSSA-N	00101000000010110000110000000000000000000000000000000000	22-01-168095
O(C1CC2C(C2(C)C)CC1(OC)C)C1C(N(C1=O)c1ccc(OC)cc1)C=Cc1ccccc1	PC-id_72817428	461.593	VFSNJIDQHWBEOQ-UHFFFAOYSA-N	00101000000010110000110000000000000000000000000000000000	22-01-168096
CC(=O)N[C@@H](C(C)(C)C)C(=O)N1CC2C([C@H]1C(=O)NC(C(=O)C(=O)C)CC1CCC1)C2(C)C	SCHEMBL16317133,PC-id_117758529	461.594	WUGYIGODGDTVJG-VIMZLGPTSA-N	00101010000000000000010000000000000000000000000000000000	22-01-168097
O=C(c1ccc(cc1)C(C)(C)C)N1CC2C(C1)C2CNc1ccc(cc1)C(=O)N1CCOCC1	SCHEMBL4420965,PC-id_69037103	461.596	WQRSVXBGCTTYJW-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-168098
O=C(NC1C2C1CN(C2)Cc1ccccc1)CNC(=O)C(O)(C1CCCCC1)c1ccccc1	PC-id_10457027	461.596	CYPOFJNETAFYIV-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-168099
S(=O)(=O)(N1CC2([Si](C)(C)c3ccccc3)OC2C(O)C1C(=O)OC)c1ccc(cc1)C	PC-id_73058661	461.603	CSEDXSCZENUMNS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-168100
S(=O)(=O)(N1C[C@@]2([Si](C)(C)c3ccccc3)O[C@H]2[C@H](O)[C@H]1C(=O)OC)c1ccc(cc1)C	PC-id_11676990	461.603	CSEDXSCZENUMNS-IIZPIQPGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-168101
S(=O)(=O)(N1C[C@@]2([Si](C)(C)c3ccccc3)O[C@H]2[C@H](O)[C@@H]1C(=O)OC)c1ccc(cc1)C	PC-id_53388649	461.603	CSEDXSCZENUMNS-JBPLPALLSA-N	00100000000010110000010000000000000000000000000000000000	22-01-168102
O=C1CC[C@H](C)C(=O)/C(=C(/O)[C@@H](C)CCC[C@@H]2[C@H](C[C@H](O1)/C(=C/c1csc(n1)C)/C)O2)/C	PC-id_141971482	461.614	ALXNECQWCWPDDS-OIIOMOLXSA-N	00100000100000000111010000000000000000000000000000000000	22-01-168103
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Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)C12CC1C=CC=C2I	PC-id_163745179	462.981	LLFIQDODYUVLGL-UHFFFAOYSA-N	00100000000011100001010000000000000000000000000000000000	22-01-168330
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C1[C@H]([C@H]2[C@@H]([C@H]2[C@@]1(C(=O)OCC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4)SC5=NCN=C5	PC-id_160457028	463.157	QMHZUNRABHZNIK-DCIYMBNPSA-N	00100011000010110001010000000000000000000000000000000000	22-01-168332
CCC1C2(C(C2OCC3C(C(C(C(O3)C(=O)O)COC)O)O)C(C(O1)CO)O)NC(=O)C	PC-id_148599481	463.205	NCFQXEWDOQJUPZ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-168333
COc1ccc(cc1)CC(=O)N1CC2C(C1)C2CNc1nc(cc(=O)n1C)c1ccncc1F	PC-id_140556806	463.504	YRMRCQKVTSCHTG-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-168370
CC1=CC(=CC=C1)CC2=NC(=CC(=C2)C(=O)CC3[C@H]4[C@@H]3CN(C4)C(=O)OC(C)(C)C)C(=O)NC	PC-id_160464493	463.247	QNFZVUXFPXPCSX-FRIKZZABSA-N	00100010000000111000010000000000000000000000000000000000	22-01-168334
CC(C)(C)OC(=O)NC1CN(C1)c1ccc(cc1)S(=O)(=O)NC1CCCCCCC2C1C2	PC-id_164128388	463.25	YLNMAVWGDRPGBE-UHFFFAOYSA-N	00101000000000110100110000000000000000000000000000000000	22-01-168335
CC(=O)NCC1(CC2CC2(C(O1)CO)O)OCc1ccc(cc1)NC(=O)CCCCCNC	PC-id_164169637	463.268	ZUELWIXVUFZIBC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-168336
C[C@@]12CN(C[C@@H]1[C@H]2N)CC3=CC=C(C=C3)N4C=CC(=NC4=O)NC(=O)N5CCC6C(C5)C6CN	PC-id_154650986	463.27	OLLHJXRSXULNBD-LETPJWJHSA-N	00100010000010110001110000000000000000000000000000000000	22-01-168337
CC1CC(=NC(C1=O)(CCC1CCCCC1)CC1CCN(C1)C(=O)C1=C2CC2(C=CC=C1)C)N	PC-id_163824744	463.32	NYMFABAITRRCDY-UHFFFAOYSA-N	00100010000011000110010000000000000000000000000000000000	22-01-168338
C=Cc1ccc(nc1NC(=O)[C@@H]1C[C@@]2([C@H](N1C(=O)OC(C)(C)C)C2)CN=[N+]=[N-])Br	PC-id_142420569	463.328	AKTSAMLOSXJDKT-QUJCMNEKSA-N	00100010000000101000010000000000000000000000000000000000	22-01-168339
O=CC(N1CC2C(C1)C2NC(=O)COc1ccc(cc1)Cl)CCOc1ccc(cc1)Cl	PC-id_145414757	463.354	QTWQVEIAKFOXQA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168340
O=C(NC1CCOB1O)C1N(CC2C1C2(C)C)C(=O)C(NC(=O)OC1CCCC1)C(C)(C)C	PC-id_74435625	463.375	UWDJVXGGHBRDFW-UHFFFAOYSA-N	00100010000000000001010000000000000000000000000000000000	22-01-168341
O=C(N[C@H]1CCOB1O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C	PC-id_25255512	463.375	UWDJVXGGHBRDFW-KFGODFMUSA-N	00100010000000000001010000000000000000000000000000000000	22-01-168342
COc1cccc(c1)C(=O)NC(C1N2C1CC(CC2)Oc1ccc(c(c1)Cl)Cl)C(C)C	SCHEMBL7116831	463.397	ZZEAQSDZSSKVRC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-168343
OC[C@H]([C@H](C1O[C@]2(O[C@H]2[C@@H]([C@H]1NC(=O)OC(C)(C)C)OC(=O)C)C(=O)OC)OC(=O)C)O	SCHEMBL17215077,PC-id_118480147	463.433	CVDALKCTMBDXDE-PVNKBNTQSA-N	00100000000010000000010000000000000000000000000000000000	22-01-168344
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)OC(C)(C)C)C2)NCc1ncnc(c1)c1ccc(nc1)C(F)(F)F	PC-id_118019880,SCHEMBL16647976	463.453	YSXNQFZORYAOJF-XYPHTWIQSA-N	00100010000000101001110000000000000000000000000000000000	22-01-168345
OCC[C@@H](C(C(=O)COP(=O)(OCCNC(=O)COC1CCCCCC2C1=C2)O)O)C	SCHEMBL18736419	463.459	BDIKJQPVUNCYEX-UVADMXLWSA-N	00110000000000000110010000000000000000000000000000000000	22-01-168346
Fc1cc(NC(=O)C2C3C2CN(C3)Cc2ccc(cc2)C(F)(F)F)ccc1N1CCOCC1	PC-id_69034484,SCHEMBL4414909	463.468	SFLZFCJNSGYNKZ-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-168347
N#Cc1cc(F)c(nc1Nc1cnc(c(c1)n1nccn1)C)N[C@@H]1CC2CC2C[C@@H]1NC(=O)O	PC-id_117643796,SCHEMBL16164931	463.468	OMOKTQFXYPNEMF-UGTAFDGBSA-N	00100000100010101001110000000000000000000000000000000000	22-01-168348
N#Cc1cc(F)c(nc1Nc1cnc(c(c1)n1nccn1)C)N[C@H]1CC2CC2C[C@@H]1NC(=O)O	SCHEMBL16164937,PC-id_117643801	463.468	OMOKTQFXYPNEMF-YCWMGOOZSA-N	00100000100010101001110000000000000000000000000000000000	22-01-168349
CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(F)c(F)c1	BindingDB-id_917856	463.474	YAZLWQBKWOGOIO-RAQRGPQBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168350
CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1cc(F)cc(F)c1	BindingDB-id_917855	463.474	XEPIMNAFLOXIEZ-SDSHWIHHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168351
C#CCOc1cnc(cn1)C(=O)N/C(=C/C(=C(C(=C)[C@@]1(CF)N=C(N)S[C@@H]2[C@H]1C2)/F)/F)/C	SCHEMBL19363024	463.476	LDQZOTRZJNHRBD-MJCRMIKMSA-N	00100000000011100001010000000000000000000000000000000000	22-01-168352
O=C(NCCOC1OC2OC2C(C1O)O)CCCCNC(=O)CONC(=O)OC(C)(C)C	PC-id_118686417,SCHEMBL17468444	463.479	QACNDKWUNPMARL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-168353
s1c(NCC2N(CC3C(C3)C2)C(=O)c2c(n3nccn3)ccc(c2)C)nnc1C(F)(F)F	PC-id_76528228	463.479	ZNWBSYWMDXXEOR-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-168354
s1c(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2n2nccc2)C)nnc1C(F)(F)F	PC-id_76528281	463.479	PENDNIYXRNBVMZ-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-168355
s1c(NC[C@H]2N(C[C@H]3[C@H](C3)C2)C(=O)c2c(n3nccn3)ccc(c2)C)nnc1C(F)(F)F	PC-id_57413694	463.479	ZNWBSYWMDXXEOR-RDBSUJKOSA-N	00100000100010110001110000000000000000000000000000000000	22-01-168356
s1c(NC[C@H]2N(C[C@H]3[C@H](C3)C2)C(=O)c2nc(ccc2n2nccc2)C)nnc1C(F)(F)F	PC-id_57413834	463.479	PENDNIYXRNBVMZ-RDBSUJKOSA-N	00100000100010101001110000000000000000000000000000000000	22-01-168357
s1c(nnc1C(F)(F)F)CCC1N(CC2C(C2)C1)C(=O)c1nc(ccc1n1nccn1)C	PC-id_76528558	463.479	GIIYZFPUGYONFW-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-168358
s1c(nnc1C(F)(F)F)CC[C@H]1N(C[C@H]2[C@H](C2)C1)C(=O)c1nc(ccc1n1nccn1)C	PC-id_57414619	463.479	GIIYZFPUGYONFW-HZSPNIEDSA-N	00100000100010101001110000000000000000000000000000000000	22-01-168359
C1c2c1cc(cc2)C(=O)Nc1cc(cc(c1)C(=O)Nc1ccccc1)c1ccc(cc1)C(=O)NO	PC-id_87916027,SCHEMBL5943901	463.484	GXPKLVSSTPHGGO-UHFFFAOYSA-N	00100000000000110000110000000000000000000000000000000000	22-01-168360
CC(c1cc(ccc1)C(F)(F)F)NC1CC(N(C1)CC(C(=O)N1C(CC2C1C2)C#N)N)C=O	PC-id_88270616,SCHEMBL8254051	463.496	UKKKACQNNPAQHZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-168361
CCNCCC(c1cc(ccc1)SCC12CC1(C(C(C(C2(O)O)(O)O)(O)O)(O)O)O)O	PC-id_91155490	463.499	XGRVMTAWWWZDNR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-168362
CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)OC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C	SCHEMBL6247488	463.499	WCQHCZSKXNHCTH-WNRNVDISSA-N	00100010000000110001110000000000000000000000000000000000	22-01-168363
CC(=O)NC[C@@H]1OC(=O)N(C1)c1cc(F)ccc1OC[C@@H]1C2[C@@H]1CN(C2)C(=O)OC(C)(C)C	SCHEMBL6258771	463.499	LBTVDYKIUBSYPF-VRAMHSHPSA-N	00100010000000110001110000000000000000000000000000000000	22-01-168364
Fc1cc(N2C[C@@H](OC2=O)CNC(=O)C)c(OCC2C3[C@@H]2CN(C3)C(=O)OC(C)(C)C)cc1	PC-id_69723505	463.499	LBTVDYKIUBSYPF-VYMRPNJYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-168365
Fc1cc(N2CC(OC2=O)CNC(=O)C)c(OCC2C3C2CN(C3)C(=O)OC(C)(C)C)cc1	PC-id_77675808	463.499	LBTVDYKIUBSYPF-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-168366
Fc1c(OCC2C3C2CN(C3)C(=O)OC(C)(C)C)ccc(N2CC(OC2=O)CNC(=O)C)c1	PC-id_85082160	463.499	WCQHCZSKXNHCTH-UHFFFAOYSA-N	00100010000000110001110000000000000000000000000000000000	22-01-168367
Fc1c(OCC2[C@@H]3[C@H]2CN(C3)C(=O)OC(C)(C)C)ccc(N2C[C@@H](OC2=O)CNC(=O)C)c1	PC-id_9981847	463.499	WCQHCZSKXNHCTH-XNHLSEOASA-N	00100010000000110001110000000000000000000000000000000000	22-01-168368
COc1cccc(c1)CC(=O)N1CC2C(C1)C2CNc1nc(cc(=O)n1C)c1ccncc1F	PC-id_140556786	463.504	MAWHQWZKPDXYHC-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-168369
COc1ccc(cc1)CC(=O)N1C[C@@H]2[C@H](C1)C2N(c1nc(cc(=O)n1C)c1ccncc1F)C	PC-id_59576907,SCHEMBL2490572	463.504	QEAAPELEMVCEHW-QRQCMCJISA-N	00100010000000111001110000000000000000000000000000000000	22-01-168371
COc1cccc(c1)CC(=O)N1C[C@@H]2[C@H](C1)C2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2488422,PC-id_59576910	463.504	CSHZTXZFLIULQW-QRQCMCJISA-N	00100010000000111001110000000000000000000000000000000000	22-01-168372
COc1cccc(c1)CC(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2488419	463.504	CSHZTXZFLIULQW-HROJSSOGSA-N	00100010000000111001110000000000000000000000000000000000	22-01-168373
COc1cccc(c1)CC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2488420	463.504	CSHZTXZFLIULQW-NHKMSHSESA-N	00100010000000111001110000000000000000000000000000000000	22-01-168374
COc1ccc(cc1)CC(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2490567	463.504	QEAAPELEMVCEHW-HROJSSOGSA-N	00100010000000111001110000000000000000000000000000000000	22-01-168375
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Fc1c(c2nc(N(C3C4C3CN(C4)C(=O)Cc3ccc(OC)cc3)C)n(c(=O)c2)C)ccnc1	PC-id_72330969	463.504	QEAAPELEMVCEHW-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-168377
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CCc1ccc(cc1)c1sc(nc1C(=O)N1C[C@@H]2C([C@H]1CNC(=O)c1ccc(cc1)F)C2)C	SCHEMBL3461692,PC-id_68651392	463.567	FEPKQYCRUJIRQM-PSQUCKQXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168409
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CC[C@@H]1C[C@]1(NC(=O)C1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]2[C@@H](C1)C2)C(=O)O	SCHEMBL18929201	463.567	FSJMDKHNOFTEEN-SWUUGGNCSA-N	00100010000010000000010000000000000000000000000000000000	22-01-168411
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s1c(c(nc1C)C(=O)N1[C@H]([C@@H]2[C@@H](C2)C1)CNC(=O)c1cc(ccc1F)C)c1cc(ccc1)C	PC-id_57489198	463.567	RYHWTQGCAXXZQN-IPJJNNNSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168421
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C/C=C/1C(=C/C(=C)OCc2cc(ccc2F)c2ccc(nc2C)OCCC(O)(C)C)CC2C1C2	PC-id_144566081	463.584	VANQQFYAHLYCAO-LNHLTMKFSA-N	00100010000000111000110000000000000000000000000000000000	22-01-168433
CCn1cc(c(n1)C)C(=O)NCC1C2CC2CN1C(=O)c1c(sc(n1)C)c1cc(ccc1)C	PC-id_91235482	463.595	AKFQFABWJNBUAY-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168434
CCn1c(cc(n1)C)C(=O)NCC1C2CC2CN1C(=O)c1c(sc(n1)C)c1cc(ccc1)C	PC-id_91539384	463.595	LSGKFHYVDHKTIM-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168435
CCn1cc(c(n1)C)C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1571804,PC-id_67081171	463.595	RKTUEBMKJDEOFJ-DYXWJJEUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168436
CCn1nc(cc1C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2)C	SCHEMBL1572182,PC-id_67081405	463.595	KVQVGIGILHSZSU-AABGKKOBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168437
CCn1nc(cc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccc(cc1)C)C)C	PC-id_66998303,SCHEMBL1339219	463.595	MHUOAKDHOQWMBD-IRFCIJBXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168438
CCn1nc(cc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccccc1C)C)C	SCHEMBL1339472,PC-id_66998419	463.595	UYCBBSWKXKCKOJ-HFSMHLIXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168439
CCn1nc(cc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C)C	SCHEMBL1340428,PC-id_25181711	463.595	LSGKFHYVDHKTIM-IRFCIJBXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168440
O1C2C1C=CC(C2C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C	PC-id_18956782	464.678	QJCMOHSINYJTGL-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-168606
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CNC(=O)c1c(nn(c1)CC)C)c1cc(ccc1)C	PC-id_77222880	463.595	RKTUEBMKJDEOFJ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168441
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CNC(=O)c1n(nc(c1)C)CC)c1cc(ccc1)C	PC-id_77222980	463.595	KVQVGIGILHSZSU-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168442
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CNC(=O)c1n(nc(c1)C)CC)c1ccc(cc1)C	PC-id_77247766	463.595	MHUOAKDHOQWMBD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168443
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CNC(=O)c1n(nc(c1)C)CC)c1c(cccc1)C	PC-id_77247783	463.595	UYCBBSWKXKCKOJ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-168444
[Si](OC1C2OC2C(=O)C(=C1)NC(=O)OCC=C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85096560	463.598	FJWNHIFSVSQBSG-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-168445
[Si](O[C@@H]1[C@@H]2O[C@@H]2C(=O)C(=C1)NC(=O)OCC=C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10027409	463.598	FJWNHIFSVSQBSG-OEMFJLHTSA-N	00100000000011110000010000000000000000000000000000000000	22-01-168446
[Si](O[C@H]1[C@@H]2O[C@@H]2C(=O)C(=C1)NC(=O)OCC=C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10479542	463.598	FJWNHIFSVSQBSG-YFNKSVMNSA-N	00100000000011110000010000000000000000000000000000000000	22-01-168447
O(C1C(C2C(N(CC=C)C(=O)OC(C)(C)C)(C2)C1)COCc1ccccc1)Cc1ccccc1	PC-id_74961638	463.608	OQPPSIDVMKXFFR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-168448
O([C@@H]1[C@H]([C@H]2[C@](N(CC=C)C(=O)OC(C)(C)C)(C2)C1)COCc1ccccc1)Cc1ccccc1	PC-id_44239338	463.608	OQPPSIDVMKXFFR-VZTVMPNDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-168449
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CC1CCCC2C(O2)CC(OC(=O)CCC(C(=O)C(C1O)C)C)C(=Cc1csc(n1)C)C	PC-id_91133590	463.63	GLGMZCQQRDHFAQ-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-168452
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[Si](O[C@H]1[C@H]2N([C@H]2C=C(C1)C(=O)OCC)C(=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_24889144	463.641	FCAAUZYBENPNPU-MXKRKJNMSA-N	00100000000011110000010000000000000000000000000000000000	22-01-168461
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CSON1c2c1cc(cc2)NCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl	PC-id_144307492	467.455	PICYRRMRJJEANC-UHFFFAOYSA-N	00100000000000110101110000000000000000000000000000000000	22-01-169021
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CCC/C=CC(=C(I)/C)NC12CCC(C(C1C2)C)CC(C(C=C)C)C=C	PC-id_142020293	467.47	NGEZNIHUXXXVPP-BLGMSBLASA-N	00100000000010000000010000000000000000000000000000000000	22-01-169024
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Cc1ccc(c(c1)C(=O)N1[C@@H](CC[C@H]2C1C2)CNc1ccc(cn1)C(F)(F)F)c1ncccn1	PC-id_117937784,SCHEMBL16549930	467.486	RAWLLFGTQNJIFC-JUAJCIKASA-N	00100000000010111001110000000000000000000000000000000000	22-01-169031
Cc1ccc(c(c1)C(=O)N1[C@@H](CC[C@H]2C1C2)CNc1nccc(c1)C(F)(F)F)c1ncccn1	SCHEMBL16549928,PC-id_117937782	467.486	ASIMEGORLDCTGH-JUAJCIKASA-N	00100000000010111001110000000000000000000000000000000000	22-01-169032
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Cc1ccc(c(c1)C(=O)N1[C@@H](CC[C@H]2[C@@H]1C2)CNc1ccc(cn1)C(F)(F)F)c1ncccn1	PC-id_71747180,SCHEMBL15266344	467.486	RAWLLFGTQNJIFC-MMOPVJDHSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169034
Cc1ccc(c(c1)C(=O)N1[C@@H](CC[C@H]2[C@@H]1C2)CNc1nccc(c1)C(F)(F)F)c1ncccn1	PC-id_71747353,SCHEMBL15266735	467.486	ASIMEGORLDCTGH-MMOPVJDHSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169035
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2CC1CNc1ccc(cn1)C(F)(F)F)c1ccccn1	PC-id_144005706	467.486	DGMZYZUNIBRHAQ-FQZXCLDYSA-N	00100000000010101000110000000000000000000000000000000000	22-01-169036
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1ccccn1	PC-id_59363713,SCHEMBL3387575	467.486	DGMZYZUNIBRHAQ-AOIWGVFYSA-N	00100000000010101000110000000000000000000000000000000000	22-01-169037
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1cccnc1	SCHEMBL3385613,PC-id_46219439	467.486	FQVDSRCTTRHSJL-HBFSDRIKSA-N	00100000000010101000110000000000000000000000000000000000	22-01-169038
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FC(F)(F)c1ccc(NCC2N(C3C(C3)CC2)C(=O)c2c(ccc(c2)C)c2ncccn2)nc1	PC-id_78167828	467.486	RAWLLFGTQNJIFC-UHFFFAOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169040
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2c(nccc2)c2ccc(nc2)C)nc1	PC-id_75152640	467.486	FFDHIRFQXHUHRP-UHFFFAOYSA-N	00100000000010101000110000000000000000000000000000000000	22-01-169041
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2cccnc2)C)nc1	PC-id_75152592	467.486	FQVDSRCTTRHSJL-UHFFFAOYSA-N	00100000000010101000110000000000000000000000000000000000	22-01-169042
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ncccc2)C)nc1	PC-id_72270970	467.486	DGMZYZUNIBRHAQ-UHFFFAOYSA-N	00100000000010101000110000000000000000000000000000000000	22-01-169043
FC(F)(F)c1ccc(NC[C@H]2N(C[C@H]3[C@H](C3)C2)C(=O)c2c(nccc2)c2ccc(nc2)C)nc1	PC-id_46219562	467.486	FFDHIRFQXHUHRP-HBFSDRIKSA-N	00100000000010101000110000000000000000000000000000000000	22-01-169044
FC(F)(F)c1cc(ncc1)CCC1N(CC2C(C2)C1)C(=O)c1nc(ccc1c1ncccn1)C	PC-id_76528520	467.486	UGTSDHBZOQYSRM-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169045
FC(F)(F)c1cc(ncc1)CC[C@H]1N(C[C@H]2[C@H](C2)C1)C(=O)c1nc(ccc1c1ncccn1)C	PC-id_57414484	467.486	UGTSDHBZOQYSRM-FUHIMQAGSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169046
FC(F)(F)c1cc(NCC2N(C3C(C3)CC2)C(=O)c2c(ccc(c2)C)c2ncccn2)ncc1	PC-id_78168159	467.486	ASIMEGORLDCTGH-UHFFFAOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169047
FC(F)(F)c1c(nccc1)CCC1N(CC2C(C2)C1)C(=O)c1nc(ccc1c1ncccn1)C	PC-id_76528636	467.486	GLVZJBWVICCWCE-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169048
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FC(F)(F)c1ncc(nc1)CC[C@H]1N(C[C@H]2[C@H](C2)C1)C(=O)c1c(ccc(c1)C)c1ncccn1	PC-id_57414755	467.486	PTHGWAWYDXIPRA-ZIFCJYIRSA-N	00100000000010110001110000000000000000000000000000000000	22-01-169051
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CC(C)(C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(=O)N)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	CHEMBL375743	467.528	OJTRJEAMMHBCDD-VVXSQCBMSA-N	00100000000010101101110000000000000000000000000000000000	22-01-169057
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CC(C)[C@@]12C[C@@]1(CN(C2)P(=O)(Oc1ccccc1)Oc1ccccc1)CC(=O)C1CCCC1	PC-id_135068968	467.537	GSXDRMHTQAHJFP-SXOMAYOGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169059
OC(=O)C1CCN(C1)CC12C=C(C)C(=CC1C2)OCC1=CC(=C(C1)C(F)(F)C)c1ccccc1	PC-id_142267736	467.547	IPGKMDZYTXXRGD-UHFFFAOYSA-N	00100011000011110000110000000000000000000000000000000000	22-01-169060
CCN1CC2C(C1)C2CN(C(=O)c1csc(n1)C(C)C)Cc1cccc(c1)OC(F)(F)F	PC-id_66775645,SCHEMBL710401	467.548	TXSNHKQBQBWEJW-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-169061
CCN=N/C(=CC1C2C1(C)C=C(CC2)CN(C(=O)c1cnn(c1)C)CC)/c1c(F)cccc1F	PC-id_145182967	467.554	IECMXZDKFSVIOL-VTRRHDRYSA-N	00100000100011110001010000000000000000000000000000000000	22-01-169062
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CCn1cc(c(n1)C)C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)F)C)C2	PC-id_67081198,SCHEMBL1571843	467.559	YDGHXEVBZZGFLL-KPFFTGBYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169065
CCn1nc(cc1C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)F)C)C2)C	PC-id_67081249,SCHEMBL1571929	467.559	ISNGGIADAFLJMJ-NEWSRXKRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169066
CCn1nc(cc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1ccc(cc1)F)C)C	SCHEMBL1340213,PC-id_66998719	467.559	GOBMDQRSJKYRPY-XKGZKEIXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169067
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s1c(c(nc1C)C(=O)N1C2C(C2)CC1CNC(=O)c1n(nc(c1)C)CC)c1cc(F)ccc1	PC-id_74381062	467.559	ISNGGIADAFLJMJ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169070
s1c(c(nc1C)C(=O)N1C2C(C2)C[C@H]1CNC(=O)c1c(nn(c1)CC)C)c1cc(F)ccc1	PC-id_24990591	467.559	YDGHXEVBZZGFLL-IPCDKGFNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169071
s1c(c(nc1C)C(=O)N1C2C(C2)C[C@H]1CNC(=O)c1n(nc(c1)C)CC)c1cc(F)ccc1	PC-id_24989839	467.559	ISNGGIADAFLJMJ-AVAKVYKDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169072
s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CNC(=O)c1c(nn(c1)CC)C)c1cc(F)ccc1	PC-id_76542656	467.559	FZTVXQOVPOSWIL-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169073
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s1c(c(nc1C)C(=O)N1C(C2C(C2)C1)CNC(=O)c1n(nc(c1)C)CC)c1cc(F)ccc1	PC-id_76542661	467.559	MZJXWZGFECMIIK-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169075
s1c(c(nc1C)C(=O)N1[C@@H]([C@H]2[C@H](C2)C1)CNC(=O)c1c(nn(c1)CC)C)c1cc(F)ccc1	PC-id_57489246	467.559	FZTVXQOVPOSWIL-YVWKXTFCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169076
s1c(c(nc1C)C(=O)N1[C@@H]([C@H]2[C@H](C2)C1)CNC(=O)c1n(nc(c1)C)CC)c1cc(F)ccc1	PC-id_57489251	467.559	MZJXWZGFECMIIK-YVWKXTFCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169077
O=CN(/C=C(c1ncc(n1C)C(C)C)/Nc1cn(nc1OC)C)CC1C2C1CN(C2)C(=O)C=C	PC-id_145187430	467.564	ZLULNNKRECRNQP-CPNJWEJPSA-N	00100010100000000001010000000000000000000000000000000000	22-01-169078
Cc1ccc(cc1)S(=O)(=O)OCCCCCC12CC(N(C1C2)C(=O)OC(C)(C)C)C(=O)O	SCHEMBL20488679,PC-id_135318817	467.576	SMYQALRCAADGAO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169079
Cc1c(cc(cc1)CCNC(=O)c1ccc(cc1)S(=O)(=O)N1CC2C(C1)C2NC(=O)C=C)C	PC-id_89238651,SCHEMBL14057430	467.58	CVRIBJIQCDGYSP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169080
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCCCc1ccccc1	SCHEMBL14057260,PC-id_89238502	467.58	ZCEBDQUOUKLKSF-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169081
C#CCNC(=O)C(C1SC2C(C(=O)N1CC)C2Nc1cccc(c1)N(C(=O)C(C)C)C)C#N	PC-id_143242173	467.584	ZYGVONNBLGTMIC-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-169082
Cc1nc(c(s1)c1ccccc1)C(=O)N1CC2C(C1CNc1nccc(n1)c1ccccc1)C2	SCHEMBL2499848,PC-id_25125611	467.585	FGKDNGWFDOALLH-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169083
Cc1nc(c(s1)c1ccccc1)C(=O)N1C[C@@H]2[C@H]([C@H]1CNc1nccc(n1)c1ccccc1)C2	SCHEMBL2494296,PC-id_59369880	467.585	FGKDNGWFDOALLH-MQSCRBSSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169084
CC(C)C(=O)CCOCCOCCOCCOCCNC(=O)OCC1C2C1CCC#CCC2	SCHEMBL20226732,PC-id_134575537	467.596	YLKXWUKYDYLTFX-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-169085
O1C2(C(OC1CCc1cccnc1)(C2)CC(O)C)CC1C(OC(OC1)(C)c1ccccc1)CC	PC-id_57605394	467.597	JRTRROVHPXGVAV-UHFFFAOYSA-N	00100010000010111001110000000000000000000000000000000000	22-01-169086
CCC1=C2CC2CC(CC(C1)C)Cc1nc(cnc1NC(=O)c1ccccc1)c1ccc(cc1)O	PC-id_143001068	467.602	DKZBNDRRHXZKPI-UHFFFAOYSA-N	00100000000000110111110000000000000000000000000000000000	22-01-169087
O=C(NC1[C@@H]2[C@H]1CN(C2)C(c1ccccc1)c1ccncc1)C(O)(C1CCCC1)c1ccccc1	PC-id_10096143	467.602	CIUIBCJSHPHNNM-PYGHXVIVSA-N	00100010000000111000010000000000000000000000000000000000	22-01-169088
c1ccc(cc1)N(C1=CC=C(C2C1C2)/C=N/N(C12C=CC=CC1C2)c1ccccc1)c1ccccc1	PC-id_143878013	467.603	ZEJMMKXVYLEPPM-JGRMKTMXSA-N	00100000000011110000010000000000000000000000000000000000	22-01-169089
O=C1CCCN1c1ccc(cc1)NCC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C	PC-id_69037375,SCHEMBL4421599	467.624	CMSABWHYGSEBSJ-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-169090
[Si](OCC1OC(=O)C2N(C12)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_73100272	467.629	HDVDDMFUTAOZPM-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169091
[Si](OC[C@H]1OC(=O)[C@@H]2N([C@H]12)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11784610	467.629	HDVDDMFUTAOZPM-LPOKKUQKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169092
O=C(c1ccc(cc1)C(C)(C)C)N1CC2C(C1)C2CC1(CCC(CC1)N1CCOCC1)C(=O)N	SCHEMBL4412423,PC-id_69033459	467.643	UGCHBTPIRLKTQE-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-169093
O=C(C1CCC(CC1)N1CCOCC1)NCC1C2C1CN(C2)C(=O)c1ccc(cc1)C(C)(C)C	PC-id_69033456,SCHEMBL4412420	467.643	FQQLAPJMSJYARX-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-169094
[Si](OCC1N(CCC2OC12)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72753439	467.672	WXXNKCCQKDHGPV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169095
[Si](OC[C@H]1N(CC[C@H]2O[C@@H]12)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11213515	467.672	WXXNKCCQKDHGPV-SMIHKQSGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169096
[Si](OC[C@H]1N(CC[C@@H]2O[C@H]12)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11225125	467.672	WXXNKCCQKDHGPV-TZRRMPRUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169097
CCOC(=O)C12CC1C=CCCCCN(C(=O)NC(C(=O)N2)CO[Si](C)(C)C(C)(C)C)C	PC-id_91611793	467.674	UUFASWIAYFANJY-UHFFFAOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-169098
CCOC(=O)[C@@]12NC(=O)[C@H](CO[Si](C(C)(C)C)(C)C)NC(=O)N(C)CCCC/C=C[C@@H]2C1	SCHEMBL13929758	467.674	UUFASWIAYFANJY-HHLYZDTASA-N	00100000000000000111010000000000000000000000000000000000	22-01-169099
[Si](OC[C@@H]1NC(=O)N(CCCCC=C[C@@H]2[C@](NC1=O)(C2)C(=O)OCC)C)(C(C)(C)C)(C)C	PC-id_57578678	467.674	UUFASWIAYFANJY-IUKKYPGJSA-N	00100000000000000111010000000000000000000000000000000000	22-01-169100
[Si](OC[C@@H]1NC(=O)N(CCCCC=C[C@H]2[C@](NC1=O)(C2)C(=O)OCC)C)(C(C)(C)C)(C)C	PC-id_71028390	467.674	UUFASWIAYFANJY-IEGUWTFLSA-N	00100000000000000111010000000000000000000000000000000000	22-01-169101
C=CCCC(C(=C)C(=O)CCC=C)CC(=O)C1C(CC2C1C2(C)C)C(=O)C(C1CCCCC1)N	PC-id_142268171	467.683	OFLFFVZTQJTDOB-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169102
[Si](OC1C(C2(C(C2)C1N)COCc1ccccc1)COCc1ccccc1)(C(C)(C)C)(C)C	PC-id_85244068	467.716	DJOCUQWRAZYBQT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169103
[Si](O[C@@H]1[C@@H]([C@]2([C@H](C2)[C@H]1N)COCc1ccccc1)COCc1ccccc1)(C(C)(C)C)(C)C	PC-id_10719080	467.716	DJOCUQWRAZYBQT-XFOIZKHGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169104
CCCC12C(OCC[N+]1(O2)CCC)NC(=O)CCCCCCCCCCCCCCC(C)C	PC-id_88540718	467.748	HTAIIPRVQGRSKA-UHFFFAOYSA-O	00100000000010000001010000000000000000000000000000000000	22-01-169105
CCC(=C)C1[C@H]2C[C@H]2CN1C(=C)C(C1(C)CCCCC1)NC(=C)NC(C(C)(C)C)CCC(=C)C	PC-id_143356379	467.773	YCOZFTFYSKKSSR-JUOHIPIWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169106
CC(=C)CCC(C(C)(C)C)NC(=C)NC(C(=C)N1C[C@H]2[C@@H](C1C(=C)C)C2(C)C)C1CCCCC1	PC-id_143356427	467.773	MZTDWHKWRZXWDS-RIENVWITSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169107
Clc1ccc(c(c1)CNC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@@H](Cc1ccccn1)O)C2)c1[nH]nnn1	PC-id_68844654,SCHEMBL3933056	467.908	VWCIPKOTQCTEDP-OZOSWLFCSA-N	00100010100000111001110000000000000000000000000000000000	22-01-169108
Clc1ccc(c(c1)CNC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@@H](Cc1ccccn1)O)C2)n1cnnn1	PC-id_25154374,SCHEMBL4205694	467.908	IQHKNPXFPLVVHT-XCXWGBRNSA-N	00100010100000111001110000000000000000000000000000000000	22-01-169109
Clc1ccc(c(c1)CNC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)C(Cc1ccccn1)O)c1[nH]nnn1	SCHEMBL3920689,PC-id_68839963	467.908	AZZLGRRTSYZLBE-DOAFEROVSA-N	00100010100000111001110000000000000000000000000000000000	22-01-169110
Clc1ccc(c(c1)CNC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)C(Cc1ccccn1)O)n1cnnn1	SCHEMBL4206052,PC-id_25154111	467.908	MUJZWHPYFKXNPL-HCAJHTSISA-N	00100010100000111001110000000000000000000000000000000000	22-01-169111
Clc1cc(CNC(=O)C2N(C3C(C3)C2)C(=O)C(N)c2ccc(O)cc2)c(cc1)c1n[nH]nn1	PC-id_77562243	467.908	AHNXUBBFKOSTRD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169112
Clc1cc(CNC(=O)C2N(C3C(C3)C2)C(=O)C(O)Cc2ncccc2)c(cc1)c1n[nH]nn1	PC-id_77562577	467.908	VWCIPKOTQCTEDP-UHFFFAOYSA-N	00100010100000111001110000000000000000000000000000000000	22-01-169113
Clc1cc(CNC(=O)C2N(CC3C2C3)C(=O)C(O)Cc2ncccc2)c(cc1)c1n[nH]nn1	PC-id_77561758	467.908	AZZLGRRTSYZLBE-UHFFFAOYSA-N	00100010100000111001110000000000000000000000000000000000	22-01-169114
Clc1cc(CNC(=O)[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)[C@H](N)c2ccc(O)cc2)c(cc1)c1n[nH]nn1	PC-id_68842607	467.908	AHNXUBBFKOSTRD-OZOSWLFCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169115
Clc1cc(CNC(=O)[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)[C@H](N)c2ccc(O)cc2)c(n2nnnc2)cc1	PC-id_25154457,SCHEMBL4198532	467.908	FLUJALANCLIDCY-XCXWGBRNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169116
CCC(CC)C(OC)OC(=O)C(C12NI1N2)I	PC-id_154561136	467.941	IRNYLWOZYDYZJZ-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-169117
CCOC(C(C)C)OC(=O)C(C)(C12NI1N2)I	PC-id_154561143	467.941	VYUUKVJLRNAOIO-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-169118
Clc1c(Nc2ncnc(OCC34C(C3)CN(CC4)C(=O)OC3(CC3)C)c2C)ccc(c1)C#N	PC-id_46932568,SCHEMBL10134304	467.948	JRDRLTKROSDONR-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-169119
Clc1c(Nc2ncnc(OCC34C(C3)CN(CC4)C(=O)OC3(CC3)C)c2C)ccc([N+]#[C-])c1	SCHEMBL10116632,PC-id_58061804	467.948	YDOYHHRTUDUNJG-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-169120
Clc1c(Nc2ncnc(OC[C@@]34[C@@H](C3)CN(CC4)C(=O)OC3(CC3)C)c2C)ccc(c1)C#N	PC-id_70843175,SCHEMBL13144340	467.948	JRDRLTKROSDONR-XDHUDOTRSA-N	00100000000010110001010000000000000000000000000000000000	22-01-169121
Clc1cc(C(=O)NCC2N(CC3C2C3)C(=O)c2ncsc2c2cc(OC)ccc2)ccc1	PC-id_77531038	467.968	DRYYZFGOXCIOEN-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169122
Clc1cc(C(=O)NC[C@H]2N(C[C@H]3C2C3)C(=O)c2ncsc2c2cc(OC)ccc2)ccc1	PC-id_68634881,SCHEMBL3417945	467.968	DRYYZFGOXCIOEN-OOFVQCGSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169123
Clc1cc(C(=O)NC[C@H]2N(C[C@H]3[C@@H]2C3)C(=O)c2ncsc2c2cc(OC)ccc2)ccc1	SCHEMBL3417940,PC-id_68634880	467.968	DRYYZFGOXCIOEN-FFZOFVMBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169124
OC(=O)[C@@H](Oc1cccc(c1)c1ccc(c(c1)C(=O)NCC1(CC2CC2)CC2C(C1)C2)Cl)C	PC-id_143195076	467.984	STFSGUPUFYTVHQ-WEJNUPPKSA-N	00100010000010110000110000000000000000000000000000000000	22-01-169125
CCOC(=O)C(Cc1ccc(cc1)OCCN[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccc(cc1)Cl)C#N	SCHEMBL4756319	467.988	CCASSCSZRMWXCN-KBQKCAKMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169126
CCOC(=O)[C@@H](Cc1ccc(cc1)OCCN1CC2[C@@H](C1)[C@@H]2NCc1ccc(cc1)Cl)C#N	SCHEMBL4758080	467.988	JEZSECPFYNPQHE-TXDFESBJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169127
CCOC(=O)[C@@H](Cc1ccc(cc1)OCCN[C@@H]1[C@@H]2C1CN(C2)Cc1ccc(cc1)Cl)C#N	SCHEMBL4758639	467.988	CCASSCSZRMWXCN-DUVKWUITSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169128
Clc1ccc(CN2CC3C(C3NCCOc3ccc(cc3)CC(C(=O)OCC)C#N)C2)cc1	PC-id_74325073	467.988	CCASSCSZRMWXCN-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169129
Clc1ccc(CN2CC3[C@@H](C3NCCOc3ccc(cc3)C[C@H](C(=O)OCC)C#N)C2)cc1	PC-id_69177407	467.988	CCASSCSZRMWXCN-JWLGTRHOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169130
Clc1ccc(CN2C[C@@H]3[C@@H](C3NCCOc3ccc(cc3)CC(C(=O)OCC)C#N)C2)cc1	PC-id_24821465	467.988	CCASSCSZRMWXCN-CDRNTZKQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169131
Clc1ccc(CNC2C3C2CN(C3)CCOc2ccc(cc2)CC(C(=O)OCC)C#N)cc1	PC-id_74325096	467.988	JEZSECPFYNPQHE-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169132
Clc1ccc(CNC2C3[C@H]2CN(C3)CCOc2ccc(cc2)C[C@H](C(=O)OCC)C#N)cc1	PC-id_69177128	467.988	JEZSECPFYNPQHE-ABHRTEIOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169133
Clc1ccc(CNC2[C@@H]3[C@H]2CN(C3)CCOc2ccc(cc2)CC(C(=O)OCC)C#N)cc1	PC-id_24821546	467.988	JEZSECPFYNPQHE-CDRNTZKQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169134
Cl[N-]C(C(=O)N1C(C2C(C2C1)(C)C)C(=O)NC(CCC)C(=O)C(=O)NCC=C)C(C)(C)C	PC-id_72429899	468.009	DLGOUWPJXMEHOH-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-169135
Cl[N-][C@H](C(=O)N1[C@@H]([C@H]2C([C@H]2C1)(C)C)C(=O)NC(CCC)C(=O)C(=O)NCC=C)C(C)(C)C	PC-id_58807979	468.009	DLGOUWPJXMEHOH-VGDGAYLZSA-N	00100010000000000000010000000000000000000000000000000000	22-01-169136
CN(CC12CC(NC1C2)C(=O)NC3=C(C=CC(=N3)Br)C=C)S(=O)(=O)CCC=C	PC-id_153456743	468.083	SSRZXZSQILBTKF-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-169137
CC1=CC2(C(C(=C1)C(=O)c1c(Cl)cccc1Cl)(O2)C)C(=O)c1c(Cl)cccc1Cl	PC-id_141061245	468.157	NDVFLFLRSWZZCV-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-169138
CCN1C(=C(C(=N1)C)C[C@@H]2C[C@@H]3C[C@@H]3N2C(=O)C4=C(SC(=N4)N)C5=CC(=CC=C5)F)C(=O)N	PC-id_153923478	468.174	XPSBDRPJXTWHQZ-KMFMINBZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169139
BrC1(Br)C2C1OCC(OCc1ccccc1)C2OCc1ccccc1	PC-id_85244070	468.179	YZOWFIVXJIGCOA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169140
BrC1(Br)[C@H]2[C@@H]1OC[C@@H](OCc1ccccc1)[C@@H]2OCc1ccccc1	PC-id_10719084	468.179	YZOWFIVXJIGCOA-YRXWBPOGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169141
CCCC(c1ccc(c2c1O2)Br)OC(c1ccc(c2c1O2)Br)CCC	PC-id_141546858	468.179	CSEYLZYWDWVRCY-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-169142
C1CC(=CC=C1/C=C/C(=O)CC(=O)CCC1C2C1C=C(C=C2)OC(=O)CCN)OC(=O)CCN	PC-id_163819527	468.226	NUEZZSBJXGBOBJ-DAFODLJHSA-N	00100000000011000000010000000000000000000000000000000000	22-01-169143
CC1=NOC(=C1COC(=O)C(C2CCCC2)N)C3=CC=C(C=C3)OC4C[C@@H](C[C@H]5[C@@H]4C5)C(=O)O	PC-id_164831245	468.226	VFCXSGIXLOFASD-MERSPSMRSA-N	00100010100010110001110000000000000000000000000000000000	22-01-169144
CC1=NOC(=C1COC(=O)N(C)C2CCCC2)C3=CC=C(C=C3)O[C@@H]4C[C@@H](C[C@H]5[C@@H]4C5)C(=O)O	PC-id_164831248	468.226	WCIQWYNXPWSJEE-ZZHWYGMGSA-N	00100010100010110001110000000000000000000000000000000000	22-01-169145
CC1=NOC(=C1COC(=O)N(C)CC2CCC2)C3=CC=C(C=C3)OC4CCCC5C4C5C(=O)O	PC-id_164831257	468.226	HBVUSWCKYTZOHY-UHFFFAOYSA-N	00101000100010110001110000000000000000000000000000000000	22-01-169146
[O-][N+](=O)C1=C([N+](=O)[O-])C2(C(C(=C1[N+](=O)[O-])[N+](=O)[O-])(O2)C([N+](=O)[O-])Cc1ccccc1)[N+](=O)[O-]	PC-id_141396025	468.246	FPRNVCGVMPMJTE-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-169147
CC[C@H](C)C(C(=O)N[C@@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)OC=C)O)C(=O)OCC)NC(=O)OC(C)(C)C	PC-id_160040215	468.247	WYIVKZLBSFKBKM-BBZBRZEISA-N	00100010000010000000010000000000000000000000000000000000	22-01-169148
CC[C@H](C)[C@@H](C(=O)N[C@@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)OC=C)O)C(=O)OCC)NC(=O)OC(C)(C)C	PC-id_160040213	468.247	WYIVKZLBSFKBKM-ADHYXNBCSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169149
CC1=C(C=CC(=N1)C2=C(N(N=N2)C)CNC(=O)N(C)CC3CCC3)O[C@@H]4CCC5C4C5C(=O)O	PC-id_164831244	468.249	WSITUOOPRNLFAH-NIEAPZFLSA-N	00101010100010101001110000000000000000000000000000000000	22-01-169150
CC(C1=CC=C(C=C1)/C(=CC=N/C=CN(CC2CC3CC3C2)N)/N)C4=CC(=CC=C4)C(F)(F)F	PC-id_155215522	468.25	RQMONVNRCQUVPZ-WCOLUHRJSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169151
Clc1cc(COC2C(N)(C3C(C3(F)C(=O)OCc3ccccc3)C2)C(=O)O)ccc1Cl	PC-id_77155276	468.302	CTIQWSLACMNMHT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169152
Clc1cc(CO[C@H]2[C@](N)([C@H]3[C@H]([C@]3(F)C(=O)OCc3ccccc3)C2)C(=O)O)ccc1Cl	SCHEMBL231136,PC-id_66628319	468.302	CTIQWSLACMNMHT-OUSKECTQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169153
B1(OC(C(O1)(C)C)(C)C)CCC[C@@H]2C[C@H]3C[C@H]3[C@]2(C(=O)NC(C)(C)C)NC(=O)C4=CC=CC=C4	PC-id_161736570	468.316	GICORAVVVXYWNB-ZAACQVCWSA-N	00100010000010110001010000000000000000000000000000000000	22-01-169154
C=CCCC1(C2C1C=CC(=C2F)F)[C@@H](c1nccnc1Br)NC(=O)OC(C)(C)C	SCHEMBL13832479	468.335	CBQJULTYFLCELH-GSOPPXCYSA-N	00100000000011100001010000000000000000000000000000000000	22-01-169155
CC(C)(C)OC(=O)NC(c1nccnc1Br)C1(C2C1C(=C(C=C2)F)F)CCC=C	PC-id_89182855	468.335	CBQJULTYFLCELH-UHFFFAOYSA-N	00100000000011100001010000000000000000000000000000000000	22-01-169156
COC(=O)Cc1cc(NC(=O)[C@@H]2C[C@@]3([C@H](N2C(=O)OC(C)(C)C)C3)C)nc(c1)Br	PC-id_142420471	468.342	AKAZENYIYSBTFW-RDXCRGQUSA-N	00100010000000101000010000000000000000000000000000000000	22-01-169157
COC(=O)N[C@H](C(=O)NCC12C[C@H](NC1C2)C(=O)Nc1cccc(n1)Br)C(C)C	PC-id_142420450	468.345	ALRPMCSVBARKNX-YLVYDUANSA-N	00100010000000101000010000000000000000000000000000000000	22-01-169158
BrCC12C(C1)(C2)CN(CCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)C	SCHEMBL10074735,PC-id_68027291	468.35	ZIUGCYCGFWRCKH-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-169159
C[N+](C)(C)C1CC(CCC2C1O2)OC(=O)C(c1c(cc(cc1)F)F)(c1c(cc(cc1)F)F)O	PC-id_89108386	468.461	VPCYVXYYVDKVAG-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-169160
C[N+](C)(C)C1CC(CCC2C1O2)OC(=O)C(c1cc(c(cc1)F)F)(c1cc(c(cc1)F)F)O	PC-id_89108399	468.461	WAFHCSFQJYNGMG-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-169161
C[N+](C)(C)C1CC(CCC2C1O2)OC(=O)C(c1cc(cc(c1)F)F)(c1cc(cc(c1)F)F)O	PC-id_89108400	468.461	MKLXQHGZCVWHBO-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-169162
Fc1ccc(c(c1)F)C(c1ccc(cc1F)F)(C(=O)O[C@@H]1CC[C@@H]2C(C(C1)[N+](C)(C)C)O2)O	SCHEMBL13526548	468.461	VPCYVXYYVDKVAG-UQCRRXGBSA-N	00100000000000110100010000000000000000000000000000000000	22-01-169163
Fc1cc(F)cc(c1)C(c1cc(F)cc(c1)F)(C(=O)O[C@@H]1CC[C@@H]2C(C(C1)[N+](C)(C)C)O2)O	SCHEMBL13526657	468.461	MKLXQHGZCVWHBO-BJTVZRGDSA-N	00100000000000110100010000000000000000000000000000000000	22-01-169164
O=C(C(c1ccc(c(c1)F)F)(c1ccc(c(c1)F)F)O)O[C@@H]1CC[C@@H]2C(C(C1)[N+](C)(C)C)O2	SCHEMBL13526653	468.461	WAFHCSFQJYNGMG-UQCRRXGBSA-N	00100000000000110100010000000000000000000000000000000000	22-01-169165
FC(Oc1cnc(c(c1)C)C(=O)N/C(=C/C(=C(C(=C)[C@@]1(C)N=C(N)S[C@@H]2C1=C2)/F)/F)/C)F	SCHEMBL18401554	468.468	QWEOELGFAQJXFO-MWCJQFMYSA-N	00110000000011101001010000000000000000000000000000000000	22-01-169166
Cc1cc(c(cc1)c1ncccn1)C(=O)N1C(CCC2C1C2)COc1ncc(cc1)C(F)(F)F	PC-id_89822854	468.471	QBSVALMBAPBVFI-UHFFFAOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169167
Cc1ccc(c(c1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COc1ccc(cn1)C(F)(F)F)c1ncccn1	PC-id_49801681,SCHEMBL609129	468.471	MIKNKOXGKKESIP-AOIWGVFYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169168
Cc1ccc(c(c1)C(=O)N1C[C@H]2C[C@H]2C[C@H]1COc1nccc(c1)C(F)(F)F)c1ncccn1	PC-id_49801991,SCHEMBL607871	468.471	LQTAFKIXMZLGQO-SCTDSRPQSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169169
Cc1ccc(c(c1)C(=O)N1[C@@H](CCC2C1C2)COc1ccc(cn1)C(F)(F)F)c1ncccn1	SCHEMBL15281890	468.471	QBSVALMBAPBVFI-JGCRXCKMSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169170
Cc1ccc(c(c1)C(=O)N1[C@@H](CC[C@@H]2[C@H]1C2)COc1ccc(cn1)C(F)(F)F)c1ncccn1	SCHEMBL15265243,PC-id_71747179	468.471	QBSVALMBAPBVFI-DJPFJPOOSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169171
Cc1ccc(c(n1)C(=O)N1C[C@@H]2CC2C[C@H]1COc1ncc(cn1)C(F)(F)F)c1ccccc1	PC-id_144077815	468.471	FSQAKKCOOTYABA-WSTRIDTPSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169172
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2CC1COc1ccc(nn1)C(F)(F)F)c1ccccc1	SCHEMBL7868917,PC-id_70212434	468.471	MAPGHQFQTCQBTD-YTYFACEESA-N	00100000000010111001110000000000000000000000000000000000	22-01-169173
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COc1ccc(nn1)C(F)(F)F)c1ccccc1	SCHEMBL609531,PC-id_49804251	468.471	MAPGHQFQTCQBTD-QYZOEREBSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169174
O1C2C1CCC(C2)COCCCCOc1ccc(OC(=O)c2ccc(c3ccccc3)cc2)cc1	SCHEMBL12730754,PC-id_58220448	472.572	YKVIVEVLNODJHY-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-169828
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COc1ncc(cn1)C(F)(F)F)c1ccccc1	PC-id_49804249,SCHEMBL611279	468.471	FSQAKKCOOTYABA-HBFSDRIKSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169175
FC(F)(F)c1ccc(OCC2N(CC3C(C3)C2)C(=O)c2c(ccc(c2)C)c2ncccn2)nc1	PC-id_75282192	468.471	MIKNKOXGKKESIP-UHFFFAOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169176
FC(F)(F)c1cc(OCC2N(CC3C(C3)C2)C(=O)c2c(ccc(c2)C)c2ncccn2)ncc1	PC-id_75282277	468.471	LQTAFKIXMZLGQO-UHFFFAOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169177
FC(F)(F)c1cnc(OCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ccccc2)C)nc1	PC-id_75282977	468.471	FSQAKKCOOTYABA-UHFFFAOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169178
FC(F)(F)c1nnc(OCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ccccc2)C)cc1	PC-id_75282979	468.471	MAPGHQFQTCQBTD-UHFFFAOYSA-N	00100000000010111001110000000000000000000000000000000000	22-01-169179
Cc1ccc(c(c1)C(=O)N1[C@@H](CC[C@H]2C1C2)CNc1nccc(n1)C(F)(F)F)c1ncccn1	SCHEMBL16549987,PC-id_117937826	468.474	VWKBXFRMTUNGMH-IEAUQHRDSA-N	00100000000010110001110000000000000000000000000000000000	22-01-169180
Cc1ccc(c(c1)C(=O)N1[C@@H](CC[C@@H]2[C@H]1C2)CNc1nccc(n1)C(F)(F)F)c1ncccn1	PC-id_71746841,SCHEMBL15265569	468.474	VWKBXFRMTUNGMH-TXPKVOOTSA-N	00100000000010110001110000000000000000000000000000000000	22-01-169181
Cc1ccc(c(c1)C(=O)N1[C@@H](CC[C@H]2[C@@H]1C2)CNc1nccc(n1)C(F)(F)F)c1ncccn1	SCHEMBL16534099,PC-id_71747533	468.474	VWKBXFRMTUNGMH-GJYPPUQNSA-N	00100000000010110001110000000000000000000000000000000000	22-01-169182
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2CC1CNc1ccc(cn1)C(F)(F)F)c1cnccn1	PC-id_144005712	468.474	SQFKNLBDOFKOEV-LNKXUWQBSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169183
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1cccnn1	SCHEMBL2469245,PC-id_46219563	468.474	BCXCKUCWKRFLNK-RYRKJORJSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169184
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1cnccn1	SCHEMBL2472860,PC-id_46219561	468.474	SQFKNLBDOFKOEV-RYRKJORJSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169185
Cc1ccc(c(n1)C(=O)N1C[C@H]2C[C@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1ncccn1	PC-id_46222789,SCHEMBL262353	468.474	IGHIQKCJTJNIFY-JZXOWHBKSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169186
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1ncccn1	SCHEMBL3385234,PC-id_46219922	468.474	IGHIQKCJTJNIFY-RYRKJORJSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169187
Cc1ccc(nc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1ncccn1	SCHEMBL3387070,PC-id_46219047	468.474	KZWQLKONDLNNSF-RYRKJORJSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169188
Cc1c(nc(cc1)c1ncccn1)C(=O)N1CC2CC2CC1Cc1c(ncc(c1)C(F)(F)F)N	PC-id_91393867	468.474	LLHKOEDGYSHYQW-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169189
Cc1nc(cc(c1)c1ncccn1)C(=O)N1CC2CC2CC1N(c1ccc(cn1)C(F)(F)F)C	SCHEMBL2498521,PC-id_67429814	468.474	MMLXFTOPNLMSLI-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169190
Cc1nc(cc(c1)c1ncccn1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F	PC-id_46219437,SCHEMBL3388451	468.474	GOYOMUJXRLLVQL-AYBZRNKSSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169191
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(cc(c2)c2ncccn2)C)nc1	PC-id_75152590	468.474	GOYOMUJXRLLVQL-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169192
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ncccn2)C)nc1	PC-id_75152775	468.474	IGHIQKCJTJNIFY-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169193
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2nccnc2)C)nc1	PC-id_75152639	468.474	SQFKNLBDOFKOEV-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169194
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2nnccc2)C)nc1	PC-id_75152641	468.474	BCXCKUCWKRFLNK-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169195
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(c(cc2)C)c2ncccn2)nc1	PC-id_75152437	468.474	NPQMIQONKPVHAF-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169196
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2C)c2ncccn2)nc1	PC-id_75152476	468.474	KZWQLKONDLNNSF-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169197
FC(F)(F)c1ccc(NC[C@H]2N(C[C@H]3[C@H](C3)C2)C(=O)c2nc(c(cc2)C)c2ncccn2)nc1	PC-id_46218919,SCHEMBL3390422	468.474	NPQMIQONKPVHAF-RYRKJORJSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169198
FC(F)(F)c1nc(CCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ncccn2)C)ccn1	PC-id_76528555	468.474	CUWOYYLJJAWUKG-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169199
FC(F)(F)c1nc(CCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ncccn2)C)cnc1	PC-id_76528598	468.474	UCFYJLYQBKBHAA-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169200
FC(F)(F)c1nc(CC[C@H]2N(C[C@H]3[C@H](C3)C2)C(=O)c2nc(ccc2c2ncccn2)C)ccn1	PC-id_57414616	468.474	CUWOYYLJJAWUKG-SOLBZPMBSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169201
FC(F)(F)c1nc(CC[C@H]2N(C[C@H]3[C@H](C3)C2)C(=O)c2nc(ccc2c2ncccn2)C)cnc1	PC-id_57414756	468.474	UCFYJLYQBKBHAA-SOLBZPMBSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169202
FC(F)(F)c1ncc(nc1)CCC1N(CC2C(C2)C1)C(=O)c1nc(ccc1c1ncccn1)C	PC-id_76528634	468.474	VATLEVIESLRSSI-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169203
FC(F)(F)c1ncc(nc1)CC[C@H]1N(C[C@@H]2[C@@H](C2)C1)C(=O)c1nc(ccc1c1ncccn1)C	PC-id_57414873	468.474	VATLEVIESLRSSI-LZLYRXPVSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169204
FC(F)(F)c1nc(NCC2N(C3C(C3)CC2)C(=O)c2c(ccc(c2)C)c2ncccn2)ncc1	PC-id_78167910	468.474	VWKBXFRMTUNGMH-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-169205
CC(=O)OCOC(=O)[C@@H]1[C@H](CSc2ccc(c(c2)C)F)C[C@@H]2[C@H]1[C@H]2C(=O)OCOC(=O)C	SCHEMBL19366525	468.493	IENOKUIDVQHUBU-CGKHISLQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169206
CCOC(=O)[C@@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)OC=C)OC(=O)C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C	PC-id_140495438	468.497	HAIFJTQWTAHRBR-OSCMEDFMSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169207
CCOC(=O)C1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)OC=C)OC(=O)C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C	SCHEMBL12569205,PC-id_68318436	468.497	HAIFJTQWTAHRBR-MRSKBTAMSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169208
O(C1C2C(C2C(=O)OC=C)C(NC(=O)C(NC(=O)OC(C)(C)C)C)(C1)C(=O)OCC)C(=O)C	PC-id_72365592	468.497	HAIFJTQWTAHRBR-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169209
O([C@@H]1[C@@H]2[C@@H]([C@H]2C(=O)OC=C)[C@@](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C)(C1)C(=O)OCC)C(=O)C	PC-id_59712888	468.497	HAIFJTQWTAHRBR-VCDLGUKSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169210
FC(F)(F)Oc1cc(CNCC2C3C2CN(C3)Cc2ccc(Oc3ccccc3)cc2)ccc1	SCHEMBL5511194,PC-id_69470329	468.511	YOCSOLCFGMDQOZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169211
O=C(c1ccc(cc1F)OCC1CCC2C(C1)O2)Oc1ccc(cc1)OCC1CCC2C(C1)O2	PC-id_117649923,SCHEMBL16172295	468.514	DVWLBUXPBHLTSF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169212
CC(C)(C)OC(=O)Nc1c(nc(s1)c1cccc(c1)C#CC1(C2CC2N(C1=O)C)O)C(=O)N	SCHEMBL19912161,PC-id_134295357	468.525	XYRUWJGFRUUSDG-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169213
Fc1cc(cc(c1)F)CC(=O)N1CC2[C@H](C1)[C@H]2CNC(=O)C(c1ccccc1)(C1CCCC1)O	SCHEMBL4476822	468.536	LJBOITGHOAXXIW-OYIQYMQASA-N	00100010000000110000010000000000000000000000000000000000	22-01-169214
Fc1cc(CC(=O)N2CC3C(C3CNC(=O)C(O)(C3CCCC3)c3ccccc3)C2)cc(F)c1	PC-id_11641317	468.536	LJBOITGHOAXXIW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169215
Fc1cc(CC(=O)N2CC3[C@@H](C3CNC(=O)C(O)(C3CCCC3)c3ccccc3)C2)cc(F)c1	PC-id_69057981	468.536	LJBOITGHOAXXIW-KACNVIOASA-N	00100010000000110000010000000000000000000000000000000000	22-01-169216
NC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@H](CC2)NC(=O)C([NH+]1CCN(CC1)c1ccc(cn1)C(F)(F)F)(C)C	GD-id_ZINC36286147	468.536	OJTRJEAMMHBCDD-RDHRVNKHSA-O	00100000000010101101110000000000000000000000000000000000	22-01-169217
FC1(F)CCC([C@H](N)C(=O)N2[C@@H]([C@H]3C([C@H]3C2)(C)C)C(=O)N[C@H](CC2CC2)C(=O)C(=O)N)CC1	SCHEMBL13447515,PC-id_70904983	468.537	WORCWWZSFFCRGL-QEOTZNIISA-N	00100010000010000000010000000000000000000000000000000000	22-01-169218
FC1(F)CCC(C(N)C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CC2CC2)C(=O)C(=O)N)CC1	PC-id_77950313	468.537	WORCWWZSFFCRGL-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169219
O1C2C1CCC(C2)COc1ccc(cc1)C(=O)Oc1ccc(OCCCCOCC2OC2)cc1	SCHEMBL12730777,PC-id_58220400	468.539	PLYNMQNAKIXSSI-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169220
O1C2C1CCC(C2)COc1ccc(OC(=O)c2ccc(OCCCCOCC3OC3)cc2)cc1	SCHEMBL12730762,PC-id_58220311	468.539	RLFLYDLYVNISNG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169221
CCC(C)C(C(=O)NC1(CC(C2C1C2C(=O)OC=C)O)C(=O)OCC)NC(=O)OC(C)(C)C	PC-id_88934808	468.541	WYIVKZLBSFKBKM-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169222
CCOC(=O)C1(CC(C2C1C2C(=O)OC=C)O)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C	PC-id_88934807	468.541	PXGCYCRTTOCPBG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169223
CCOC(=O)[C@@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)OC=C)O)NC(=O)C([C@H](CC)C)NC(=O)OC(C)(C)C	PC-id_59712944,SCHEMBL14191423	468.541	WYIVKZLBSFKBKM-DXQTXCKJSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169224
CCOC(=O)[C@@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)OC=C)O)NC(=O)[C@H]([C@H](CC)C)NC(=O)OC(C)(C)C	SCHEMBL12569226,PC-id_59205455	468.541	WYIVKZLBSFKBKM-XLMRTEOSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169225
CCOC(=O)[C@@]1(C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)OC=C)O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C	PC-id_59712869,SCHEMBL12569221	468.541	PXGCYCRTTOCPBG-BOVDKCABSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169226
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CCn1nc(cc1C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)F)N)C2)C	SCHEMBL1571763	468.547	FFWZFLVTHJRBRH-PVAVHDDUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169234
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CCn1nc(cc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)F)N)C	SCHEMBL1338156,PC-id_25182832	468.547	UISMHNSSJALHLO-QILLFSRXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169236
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s1c(c(nc1N)C(=O)N1C2C(C2)C[C@H]1CNC(=O)c1c(n(nc1C)C)C)c1cc(F)ccc1	PC-id_24987601	468.547	PYBMNLHPXNANJX-WIHSUSGWSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169238
s1c(c(nc1N)C(=O)N1C2C(C2)C[C@H]1CNC(=O)c1c(nn(c1)CC)C)c1cc(F)ccc1	PC-id_24989093	468.547	FBKAZYQXMOLMMU-HQVVEAJESA-N	00100010100000110001110000000000000000000000000000000000	22-01-169239
s1c(c(nc1N)C(=O)N1C2C(C2)C[C@H]1CNC(=O)c1n(nc(c1)C)CC)c1cc(F)ccc1	PC-id_24987978	468.547	FFWZFLVTHJRBRH-WIHSUSGWSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169240
s1c(c(nc1N)C(=O)N1C(C2C(C2)C1)CNC(=O)c1n(nc(c1)C)CC)c1cc(F)ccc1	PC-id_74401080	468.547	UISMHNSSJALHLO-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169241
C=CC(c1ccc(cc1)CC1C2C1C(=O)/C(=C(/O)CCCCCC2)/C(=O)C(=C)CC(=O)O)(F)C	SCHEMBL20197077	468.557	XIXHIYCHTOCQJJ-YYDJUVGSSA-N	00100000000000110110010000000000000000000000000000000000	22-01-169242
CC(C=C)(c1ccc(cc1)CC1C2C1C(=O)/C(=C(C(=C)CC(=O)O)/O)/C(=O)CCCCCC2)F	PC-id_134549470	468.557	SIDLUEDGUNZOFY-OCEACIFDSA-N	00100000000000110100010000000000000000000000000000000000	22-01-169243
CC(=O)CCC1C(=O)NC2(CC2C=CCCCCN(C(=O)N1)C)C(=O)C1(CC1)S(=O)(=O)N	PC-id_87632001,SCHEMBL4189690	468.567	RIWOFYDTFCMNDO-UHFFFAOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-169244
CC(=O)CCC1NC(=O)N(C)CCCC/C=CC2C(NC1=O)(C2)C(=O)NS(=O)(=O)C1CC1	PC-id_145732782	468.567	SMVYVNGYEIPVLZ-ALCCZGGFSA-N	00100000000000000111010000000000000000000000000000000000	22-01-169245
CC(=O)CCC1NC(=O)N(C)CCCC/C=C/C2C(NC1=O)(C2)C(=O)NS(=O)(=O)C1CC1	PC-id_68956514,SCHEMBL4209323	468.567	SMVYVNGYEIPVLZ-FNORWQNLSA-N	00100000000000000111010000000000000000000000000000000000	22-01-169246
CC(=O)CCC1NC(=O)N(C)CCCCC=CC2C(NC1=O)(C2)C(=O)NS(=O)(=O)C1CC1	PC-id_68956519,SCHEMBL4209333	468.567	SMVYVNGYEIPVLZ-UHFFFAOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-169247
S(C1C2C(C2C(=O)OCc2ccccc2)C(N)(C1)C(=O)OCc1ccccc1)C1NNNC1	PC-id_77985277	468.569	CJNRWDOFMOFROX-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-169248
COC(=O)C1N(C[C@H]2[C@@H]1C2(C)C)C(=O)C(C1CCC(CC1)(F)F)NC(=C1CC1)OC(C)(C)C	PC-id_67561621,SCHEMBL8353718	468.577	QTSOEXXYZIIFFF-YXWAVELNSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169249
FC1(F)CCC(C(NC(=C2CC2)OC(C)(C)C)C(=O)N2C(C3C(C3C2)(C)C)C(=O)OC)CC1	PC-id_77314054	468.577	QTSOEXXYZIIFFF-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169250
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)OCC1C2CCC#CCCC12	EMOLS-id_50901340,PC-id_91757928,MCULE-7899762944	468.584	TUOLXDJYWZRBJY-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-169251
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)OCC1[C@H]2CCC#CCC[C@H]12	ZINC22_230497215	468.584	TUOLXDJYWZRBJY-PMACEKPBSA-N	00100000000000000110010000000000000000000000000000000000	22-01-169252
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)OCC1[C@@H]2CCC#CCC[C@@H]12	ZINC22_230497289	468.584	TUOLXDJYWZRBJY-WOJBJXKFSA-N	00100000000000000110010000000000000000000000000000000000	22-01-169253
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)OC[C@@H]1[C@@H]2CCC#CCC[C@H]12	EMOLS-id_337917644	468.584	TUOLXDJYWZRBJY-WKCHPHFGSA-N	00100000000000000110010000000000000000000000000000000000	22-01-169254
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)OC[C@@H]1[C@H]2CCC#CCC[C@@H]12	ZINC22_109280633	468.584	TUOLXDJYWZRBJY-AERCQKQUSA-N	00100000000000000110010000000000000000000000000000000000	22-01-169255
O(CC1[C@@H]2[C@H]1CCC#CCC2)C(=O)NCCOCCOCCOCCNC(=O)OC(C)(C)C	PC-id_77078472	468.584	TUOLXDJYWZRBJY-WCRBZPEASA-N	00100000000000000110010000000000000000000000000000000000	22-01-169256
Cc1nc(c(cc1)c1ncccn1)C(=O)N1CC2CC2CC1CO[Si](C(C)(C)C)[P+](=C)C	PC-id_91189040	468.604	VNWLTCVNVWCLGA-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169257
CC(=O)OCC1=C[C@@H]([C@@]2([C@H]([C@@H]1O)O2)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O	PC-id_135035876	468.614	XDDIWRDEHDGAQC-CONSUNNSSA-N	00100000000011110000010000000000000000000000000000000000	22-01-169258
C=CC[Si](c1ccccc1)(c1ccccc1)OC[C@H](N1C(=O)C2C(C1=O)N2C)c1ccccc1	PC-id_101680722	468.619	YQZOIYKVFLFPMQ-VIIRMWRASA-N	00100010000000110000010000000000000000000000000000000000	22-01-169259
[Si](OCC(N1C(=O)C2N(C2C1=O)C)c1ccccc1)(CC=C)(c1ccccc1)c1ccccc1	PC-id_10434795	468.619	YQZOIYKVFLFPMQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169260
CCCCCCC(c1ccc(c2c1O2)OCCCCCC)CCCOc1ccc(cc1)C(=O)O	SCHEMBL9227808,PC-id_20097951	468.625	YZJLCTNFVQQUKF-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-169261
CCCCCCOc1c2c(c(cc1)C(C)(CCCC(C)C)CCOc1ccccc1C(=O)O)O2	PC-id_88297222	468.625	VAQKSMDPTZAYHK-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-169262
CCCCCCOc1ccc(c2c1O2)[C@](CCOc1ccccc1C(=O)O)(CCCC(C)C)C	SCHEMBL8425400	468.625	VAQKSMDPTZAYHK-LJAQVGFWSA-N	00100000000000110000010000000000000000000000000000000000	22-01-169263
CCCOC(C(=O)N(CC1C2C1CN(C2)Cc1ccccc1)C)(c1ccccc1)c1ccccc1	SCHEMBL4619684,PC-id_16038569	468.63	GURMHYBIXVCRRP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169264
OC(C(Cc1cc(F)cc(c1)F)NC(=O)C)CNC1(CSCCC(C)(C)C)C2C1CCC2	SCHEMBL1521983,PC-id_16657694	468.643	HJDQPAKICONMHZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169265
[Si](OC1C2C(C2)(C(OC(O)C)C1)COC(=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_73078461	468.657	CLZWUXDAAISKAF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169266
[Si](O[C@@H]1[C@H]2[C@](C2)([C@H](OC(O)C)C1)COC(=O)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11733357	468.657	CLZWUXDAAISKAF-SSGXZJBVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169267
[Si](OCC12C(C1)C(OC(=O)c1ccccc1)C=C2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85407035	468.659	WGZWIHLMGZDTOR-UHFFFAOYSA-N	00100011000000110000010000000000000000000000000000000000	22-01-169268
[Si](OC[C@]12[C@H](C1)[C@H](OC(=O)c1ccccc1)C=C2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11123510	468.659	WGZWIHLMGZDTOR-YCVRVPNXSA-N	00100011000000110000010000000000000000000000000000000000	22-01-169269
CC1OCCC(CC1)COCC(COCC1CCC2C(C1)O2)(COCC1CCOC(C1)C)C	PC-id_144618728	468.666	IWVDVUINCOWQGF-UHFFFAOYSA-N	00100000000010000100010000000000000000000000000000000000	22-01-169270
CCC(CCC(C)O)COCC(C)(COCC1CCC2C(C1)O2)COCC1CCC2C(C1)O2	SCHEMBL13644336,PC-id_89137938	468.666	RRDAKUKBSFTWRB-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-169271
O1C2C(C(OC3OC(C(OC4OC(C(C(C4C)C)C)CC)C(C3C)C)CC)C(OC12)CC)C	PC-id_59087701	468.666	IGLNNFVVVSNISY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-169272
CCCCC/C=C/C1C2C1CC(C2Cc1cccc(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C	PC-id_21329525,SCHEMBL11614060	468.668	NZFYOOYHNYXBRY-FOWTUZBSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169273
CCCCCC=CC1[C@H]2[C@]1(OC(=O)C(C)(C)C)C(CC2)Cc1cccc(c1)OC(=O)C(C)(C)C	PC-id_53807054,SCHEMBL11663523	468.668	FMKYVKRKOPKFKL-WIGXHPGYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169274
CCCCCC=CC1[C@@H]2[C@H]1CC(C2Cc1cccc(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C	SCHEMBL11614063,PC-id_54138244	468.668	NZFYOOYHNYXBRY-ZVJRPXOFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169275
CCCCCC=C[C@@H]1[C@@H]2[C@H]1CC(C2Cc1cccc(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C	PC-id_54138243,SCHEMBL11816607	468.668	NZFYOOYHNYXBRY-REHAMRCISA-N	00100010000010110000010000000000000000000000000000000000	22-01-169276
C=CC[C@H](C(=O)C1C[C@@H]2C(C1C(=O)CC(C(=O)C(=O)C)CC1CCC1)C2(C)C)C1CCCCC1	SCHEMBL14613621	468.668	JQEYVRQBXUKUCV-LTMCSMIJSA-N	00101010000010000000010000000000000000000000000000000000	22-01-169277
CC(=O)C(=O)C(CC1CCC1)CC(=O)C1C(CC2C1C2(C)C)C(=O)C(CC=C)C1CCCCC1	PC-id_89380128	468.668	JQEYVRQBXUKUCV-UHFFFAOYSA-N	00101010000010000000010000000000000000000000000000000000	22-01-169278
O1[C@@]2([C@]1(C[C@@H](O)CC2(C)C)C)/C=C/C(=C/C=C/C=C(/C=C/[C@@]12O[C@@]1(C[C@@H](O)CC2(C)C)C)C)/C	PC-id_44521853	468.668	NCZCLWQDSLVUPW-XWRJLKERSA-N	00100000000010000000010000000000000000000000000000000000	22-01-169279
O1C2(C1(CC(O)CC2(C)C)C)C=CC(=CC=CC=C(C=CC12OC1(CC(O)CC2(C)C)C)C)C	PC-id_75041730	468.668	NCZCLWQDSLVUPW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-169280
O(C12C(C1C=CCCCCC)CCC2Cc1cc(OC(=O)C(C)(C)C)ccc1)C(=O)C(C)(C)C	PC-id_76073902	468.668	FMKYVKRKOPKFKL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169281
O(C1C(C2C(C2C=CCCCCC)C1)Cc1cc(OC(=O)C(C)(C)C)ccc1)C(=O)C(C)(C)C	PC-id_73781040	468.668	NZFYOOYHNYXBRY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169282
CC1(C(C(C2C1C2C(C)(C)C)OS(=O)(=O)C)CSc1ccccc1)C(=O)OC(C)(C)C	PC-id_88362039	468.67	WIHDJFZEDYOUBS-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169283
O=C([C@]1(C)[C@H](CSc2ccccc2)[C@@H]([C@@H]2[C@H]1[C@H]2C(C)(C)C)OS(=O)(=O)C)OC(C)(C)C	SCHEMBL8764423	468.67	WIHDJFZEDYOUBS-QEGGCGOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169284
CC(=C)/C(=C/C/C=C/[C@@H]1CC(=C)[C@@H]2[C@H](O2)/C=C(CC(=C)C(=C)CCC(=O)O1)/CO)/[Si](C)(C)C	PC-id_135067260	468.7	QVUFPKKRAFFEID-YEOSYJFCSA-N	00100000000000000110010000000000000000000000000000000000	22-01-169285
C1CC2CC2CC1CC(C(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2)CC1CCC2C(C1)O2	PC-id_59593652,SCHEMBL12993926	468.711	JYPTUIDMFTUSHH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-169286
C=CCCCCC(=O)C1C(CC2C1C2(C)CC)C(=O)C(C1CCCCC1)CC(=C)CC(C)(C)C	PC-id_142268170	468.754	QDRNFDAECQDHAS-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169287
CCCC(C(=C)COCCCC=C)CC(=O)C1C(CC2C1C2(C)C)C(=C)C(C1CCCCC1)C	PC-id_142110385	468.754	MCSWNYUNSCZQAO-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169288
CCCCCC(C(CC(=C)N1C[C@H]2[C@@H](C1C(=C)NC(CC(=C)C(=C)N)CC1CCC1)C2)NC)C	PC-id_143352984	468.761	PYXVHRKSTPHPNO-KIYREXMNSA-N	00101010000000000000010000000000000000000000000000000000	22-01-169289
Cc1nc(Cl)cc(c1)C(=O)N1CC2C(C1)C2CNc1nc(cc(=O)n1C)c1ccncc1F	PC-id_140556818	468.911	DRPMJRLGZWFDFI-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-169290
Cc1nc(Cl)cc(c1)C(=O)N1C[C@@H]2[C@H](C1)C2N(c1nc(cc(=O)n1C)c1ccncc1F)C	PC-id_59576762,SCHEMBL2489088	468.911	NQBVNRMRGMXTIG-GWTOYCKXSA-N	00100010000000101001110000000000000000000000000000000000	22-01-169291
Cc1nc(Cl)cc(c1)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2489083	468.911	NQBVNRMRGMXTIG-JIPZTSHUSA-N	00100010000000101001110000000000000000000000000000000000	22-01-169292
Cc1nc(Cl)cc(c1)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2489086	468.911	NQBVNRMRGMXTIG-VPTLXERWSA-N	00100010000000101001110000000000000000000000000000000000	22-01-169293
Clc1nc(cc(C(=O)N2CC3C(C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)c1)C	PC-id_72330887	468.911	NQBVNRMRGMXTIG-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-169294
Clc1c(S(=O)(=O)N2C(C3C(C3)C2)CN)c(O)c(NC(=O)Nc2c(c(F)ccc2)C)cc1	PC-id_78016544	468.929	HIXIWYNPKRWLMZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169295
Clc1c(S(=O)(=O)N2[C@@H](C3C(C3)C2)CN)c(O)c(NC(=O)Nc2c(c(F)ccc2)C)cc1	PC-id_71157418,SCHEMBL14385923	468.929	HIXIWYNPKRWLMZ-VCMHEYGDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169296
Clc1c(Oc2ncnc(OCC34C(C3)CN(CC4)C(=O)OC3(CC3)C)c2C)ccc(c1)C#N	PC-id_46931360,SCHEMBL10133919	468.933	MBZFVOUPUOQYOV-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-169297
Clc1c(Oc2ncnc(OCC34C(C3)CN(CC4)C(=O)OC3(CC3)C)c2C)ccc([N+]#[C-])c1	SCHEMBL10116663,PC-id_58061848	468.933	ZFXIGQYMSGARSU-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-169298
CCCn1cnc(c1)C(=O)N(Cc1cccc(c1)Cl)CC1C2C1CN(C2)CCC(F)(F)F	SCHEMBL6104045,PC-id_69665565	468.943	YFUQYYBNOKGAKA-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-169299
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Clc1c(Oc2ncnc(OCC34C(C3)CN(CC4)C(=O)OC3(CC3)C)c2O)ccc(c1)C#N	PC-id_68043505,SCHEMBL10134298	470.906	PJAKUKITXNKYMU-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-169596
Clc1cc(CNC(=O)[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)[C@H](O)Cc2n(cnc2)C)c(n2nnnc2)cc1	SCHEMBL4205655,PC-id_25154150	470.912	LKKUPALHIIXPCG-OZOSWLFCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169597
FCc1ccc(cc1S(=O)(=O)N1CC(O)CC2C(C1)C2)C(=O)Nc1ccc(c(c1)Cl)F	PC-id_118230097,SCHEMBL16903166	470.917	LGOWPMHJWRESCW-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-169598
C=C/C=C(/C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C)C=C(Cl)/N	SCHEMBL14300325	470.927	FGKORPXTQSPXHC-GEJZXOAZSA-N	00100010000000101001110000000000000000000000000000000000	22-01-169599
Cn1c(=O)cc(nc1N(C)C1C2C1CN(C2)C(=O)C(=CC=C)C=C(N)Cl)c1c(cncc1)F	PC-id_89297536	470.927	FGKORPXTQSPXHC-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-169600
C1C2C1C(N(C2)C(=O)c1c(sc(n1)N)c1cc(ccc1)F)CNC(=O)c1cc(ccc1)Cl	PC-id_87229942	470.947	BUEJDIDYVNAFKL-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169601
Clc1cccc(c1)C(=O)NC[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)F)N	SCHEMBL1340494	470.947	BUEJDIDYVNAFKL-HXFVUSARSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169602
Clc1cccc(c1)C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)F)N	PC-id_25182829,SCHEMBL1340493	470.947	BUEJDIDYVNAFKL-JCGIZDLHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169603
CCc1c(ncnc1OCC12CCN(CC1C2)C(=O)OC(C)C)Oc1c(cc(cc1)C#N)Cl	PC-id_91160238	470.949	HHELNLXIVRYLMD-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-169604
Cc1sc(c(n1)C(=O)N1C[C@H]2[C@@H]([C@H]1CNC(=O)c1c(C)noc1C)C2)c1cccc(c1)Cl	PC-id_25182107,SCHEMBL1338572	470.972	KADVDBPUSVOPTA-RYQLBKOJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169605
Clc1cc(c2sc(nc2C(=O)N2C(C3C(C3)C2)CNC(=O)c2c(onc2C)C)C)ccc1	PC-id_74400853	470.972	KADVDBPUSVOPTA-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169606
Clc1cc(c2sc(nc2C(=O)N2C(C3C(C3)C2)CNC(=O)c2n(nc(c2)C)C)N)ccc1	PC-id_76542690	470.975	WEODWCMRWISQHT-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169607
Clc1cc(c2sc(nc2C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)CNC(=O)c2n(nc(c2)C)C)N)ccc1	PC-id_57489282	470.975	WEODWCMRWISQHT-FRFSOERESA-N	00100010100000110001110000000000000000000000000000000000	22-01-169608
Clc1c(C(=O)NC(=O)NC(CC2CC3(C(C3)C2)C)C)cc(OCc2ccccc2)c(OC)c1	SCHEMBL8038994,PC-id_70261455	470.988	JAZJVZVBDXNZJW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169609
CC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2C[C@]3(C[C@H]3N2C(=O)C(F)(F)F)COC(F)F	PC-id_153456685	471.022	FGHVZGFQEKITEW-QQXLSSBLSA-N	00100010000000101000010000000000000000000000000000000000	22-01-169610
CC[C@H]1OC(O)(c2ccc(c(c2)Cc2ccc(cc2)O[C@@H]2C[C@H]3[C@@H](O2)C3)Cl)[C@@H]([C@H]([C@@H]1C)C)C	PC-id_121460684,SCHEMBL17898996	471.028	DLUYGZDDTPDYQO-CEZJMFOISA-N	00100010000010110000110000000000000000000000000000000000	22-01-169611
CCCCCCC(C(=O)C(=O)N)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C(C)(C)C)NCl	PC-id_89058058	471.033	XJQCAUCYKLZWHE-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-169612
CCCCCCC(C(=O)C(=O)N)NC(=O)C1N(C[C@H]2C1C2(C)C)C(=O)C(C(C)(C)C)NCl	SCHEMBL13305579	471.033	XJQCAUCYKLZWHE-IILDEKEXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-169613
CC1(C2C1C(=S(=O)=O)NC2C(=O)NCC3=CC(=NC=C3F)C4=CN=C(N=C4)C(F)(F)F)C	PC-id_154468412	471.099	ZKVXWSGCZWXNEM-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-169614
CC(C)(C)OC(=O)NCC(=CF)COc1ncc(cc1)S(=O)(=O)N1C[C@@H]2[C@H](C1)C2C(=O)O	PC-id_163932278	471.148	UVFNHRYFCBCHEO-FKEKPDDDSA-N	00100010000000101000010000000000000000000000000000000000	22-01-169615
C1CC1C2=CC(=NC=C2)C(=O)N3C(CC4C3(C4)[C@H](C5CC5)C6=CC(=C(C=C6F)Cl)F)C(=O)N	PC-id_154606394	471.153	SMALCQBREDZMGY-ZGHSFMSTSA-N	00100010000000111000110000000000000000000000000000000000	22-01-169616
CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)N3[C@@H](CCC4C3C4)CCC5=NC=C(C=C5)C(F)(F)F	PC-id_160395271	471.159	QEQQNDUXJPGFMU-SGDIKTSBSA-N	00100000100010111001110000000000000000000000000000000000	22-01-169617
CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)N3[C@@H](CC[C@H]4[C@@H]3C4)CCC5=NC=C(C=C5)C(F)(F)F	PC-id_149027276	471.159	QEQQNDUXJPGFMU-QMMLZNLJSA-N	00100000100010111001110000000000000000000000000000000000	22-01-169618
C1C2C(C2CNC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CN1CC5=NC(=CC=C5)NC(=O)[O-]	PC-id_154370242	471.204	NRXWTPDHBWIQSV-UHFFFAOYSA-M	00100010000000111000010000000000000000000000000000000000	22-01-169619
CCC1[C@@H]2C[C@@H]2C([C@@H]([C@H]1C(=O)O)N=C(C3=C(C=CN3)F)N=C(C(=N)C4=C(N=CC(=C4)F)N)N)C	PC-id_154956489	471.219	MUSLLQWLDJAXJZ-BTQYMZJGSA-N	00100000110010101000010000000000000000000000000000000000	22-01-169620
BrC1(Br)C2C1CC(C2)CNC(=O)OC1C(CCCC1)c1ccccc1	PC-id_85200784	471.226	JHNPCQDDGIADFH-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-169621
BrC1(Br)[C@@H]2[C@H]1CC(C2)CNC(=O)O[C@H]1[C@@H](CCCC1)c1ccccc1	PC-id_10600473	471.226	JHNPCQDDGIADFH-XULKFVHSSA-N	00100010000010110000110000000000000000000000000000000000	22-01-169622
CC(C)N=C(/C=C(/C1=CC(=C(N=C1)N)C(F)(F)F)N)C2[C@H]3[C@@H]2CC(C3)N(C)CCS(=O)C	PC-id_154971444	471.228	ZRYPXNYJOVLELE-JYKDMGHCSA-N	00100010000010101000010000000000000000000000000000000000	22-01-169623
CCC1CC(C2(C(C2=C=[I]C)C1(C)C(C)(C)C(C)CC)N=C)C(C)CC	PC-id_163819659	471.236	NUHLGHIKUYCIDX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-169624
C[C@H]1[C@H]2[C@H](C2(C)C)[C@H](N1S(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@]3(CCNC3=O)C)C(=O)OC	PC-id_164674492	471.24	OSLORWMGVCGJKB-NFZLZAGDSA-N	00100010000000000000010000000000000000000000000000000000	22-01-169625
Cc1c(ccc(c1)CC1C2C1CC(CC2)(C)O)C(=O)Cn1ccc(cc1=O)OCc1ccccc1	PC-id_163684650	471.241	JNTXOICVUOGMPO-UHFFFAOYSA-N	00100000000010111000010000000000000000000000000000000000	22-01-169626
CC(C)[C@@H](C(=O)N1CC2C(C1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C2(C)C)NCC(F)(F)F	PC-id_164701743	471.246	GTTPWNVXXSZHPB-MYVRGUCPSA-N	00100010000000000000010000000000000000000000000000000000	22-01-169627
CCOC(=O)[C@@H]1C[C@]2(C[C@H]2N1C(=O)[O-])CN(CC(C)(C)CCC=C)C(=O)OCC3=CC=CC=C3	PC-id_152606445	471.25	YYPRPTZCRWGDQT-UZINWLIJSA-M	00100010000000110000010000000000000000000000000000000000	22-01-169628
CCC1(C2C1C2)NCCOCCOCCOCCn1cc(nn1)CN1CCS(=O)(=O)CC1	PC-id_163690044	471.252	JSEZWIKEWRZTNG-UHFFFAOYSA-N	00101000100010000001010000000000000000000000000000000000	22-01-169629
C[C@@H](C1=NC=CC(C1=C)Cc1noc(c1)C1=CC=C(CC1)C#C[C@H]1[C@H]2[C@@]1(CC(C2)CC(=O)N)C)O	PC-id_163933725	471.252	RKXJGGCDXLGPKR-MBRMYAFUSA-N	00100010100011000001110000000000000000000000000000000000	22-01-169630
CCC(CC1=C(C=C(C=C1)N2C=CC(=NC2=O)N)F)N3C[C@@H]4[C@H](C3)C4CNC(=O)OC(C)(C)C	PC-id_154650547	471.265	SVZHFYHDEVOESU-WHUJAJFLSA-N	00100010000000110001110000000000000000000000000000000000	22-01-169631
[Sn](/C=C/[C@@]12O[C@@]1(C[C@@H](O)CC2(C)C)C)(CCCC)(CCCC)CCCC	PC-id_11317387	471.295	DQKLCVHOHXWQRM-PPCMEYCYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-169632
[Sn](/C=C/[C@]12O[C@@]1(C[C@H](O)CC2(C)C)C)(CCCC)(CCCC)CCCC	PC-id_71682712	471.295	DQKLCVHOHXWQRM-AQDAJDAWSA-N	00100000000010000000010000000000000000000000000000000000	22-01-169633
[Sn](C=CC12OC1(CC(O)CC2(C)C)C)(CCCC)(CCCC)CCCC	PC-id_72798713	471.295	DQKLCVHOHXWQRM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-169634
CCC12CC(C=NC(CC1(C2)CC)C(C(N)N)C(=O)NC3CNCCC3OCCOC)Cl	PC-id_155150883	471.298	XIOLIETXSDTZLT-UHFFFAOYSA-N	00100000000010000110010000000000000000000000000000000000	22-01-169635
O=C(C1C2CC2CN1S(=O)(=O)c1ccc(cc1)F)NCc1cc(Br)ccc1F	PC-id_140733576	471.316	SXCMITIWKLDKHQ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169636
O=C([C@@H]1[C@H]2C[C@H]2CN1S(=O)(=O)c1ccc(cc1)F)NCc1cc(Br)ccc1F	SCHEMBL17959596,PC-id_122439664	471.316	SXCMITIWKLDKHQ-IWEFOYFVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169637
Brc1ccc(S(=O)(=O)N2CC3C(C3NCC(=O)N3C(CC(F)C3)C#N)C2)cc1	PC-id_77632891	471.344	PVVXOXYPONIRQW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169638
Brc1ccc(S(=O)(=O)N2CC3C(C3NCC(=O)N3[C@@H](C[C@H](F)C3)C#N)C2)cc1	PC-id_69232993,SCHEMBL4896773	471.344	PVVXOXYPONIRQW-DLGUREMHSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169639
O=c1oc(c(o1)COC(=O)N[C@@]1(C(=O)O)[C@@H](F)C[C@@H]2[C@H]1[C@H]2C(=O)OCc1oc(=O)oc1C)C	PC-id_117987508,SCHEMBL16610500	471.344	YWVXLRQLXQIDPS-SFQPCCHBSA-N	00100010100010000001010000000000000000000000000000000000	22-01-169640
CC12CC(CN=C(CC1(C2)C)C(C(N)N)C(=O)NC3CNCCC3N4CCCCCC4)CC#N	PC-id_160260580	471.369	POAUXDWRARURQZ-UHFFFAOYSA-N	00100000000010000110110000000000000000000000000000000000	22-01-169641
C12(CCCCC1C2C(=O)NN=Cc1ccc(c(OC)c1)OCc1ccc(cc1)Br)C	MCULE-3933817374,PC-id_91970177	471.387	HKLUFKGORBVYLG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169642
COc1cc(/C=N/NC(=O)C2C3CCCCC23C)ccc1OCc1ccc(Br)cc1	PC-id_75123927,EMOLS-id_49856020	471.387	HKLUFKGORBVYLG-VULFUBBASA-N	00100000000010110000010000000000000000000000000000000000	22-01-169643
COc1cc(/C=NNC(=O)[C@@H]2[C@@H]3[C@@]2(C)CCCC3)ccc1OCc1ccc(cc1)Br	PC-id_100599901	471.387	HKLUFKGORBVYLG-UEMXZTHTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169644
COc1cc(/C=NNC(=O)[C@@H]2[C@H]3[C@@]2(C)CCCC3)ccc1OCc1ccc(cc1)Br	PC-id_100599914	471.387	HKLUFKGORBVYLG-YJJDYQBRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169645
COc1cc(/C=NNC(=O)[C@@H]2[C@H]3[C@]2(C)CCCC3)ccc1OCc1ccc(cc1)Br	PC-id_100823371	471.387	HKLUFKGORBVYLG-CIFGYTKUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169646
COc1cc(/C=NNC(=O)[C@@H]2[C@@H]3[C@]2(C)CCCC3)ccc1OCc1ccc(cc1)Br	PC-id_100823372	471.387	HKLUFKGORBVYLG-RMSITMICSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169647
C[C@@H]([C@H](C1C(C2[C@](O2)(C(O1)CCl)O)O)NC(=O)[C@@H]1CC[C@@H](CCN1)CCCCF)Cl	PC-id_137488048	471.391	VNJZCOJQGSEIAM-WHMUOUMPSA-N	00100000000010000100010000000000000000000000000000000000	22-01-169648
FCCCC[C@@H]1CCN[C@@H](CC1)C(=O)N[C@@H]([C@H]1OC(CCl)[C@@]2(C(C1O)O2)O)[C@@H](Cl)C	SCHEMBL20730502,PC-id_142528757	471.391	VNJZCOJQGSEIAM-QICWRLKTSA-N	00100000000010000100010000000000000000000000000000000000	22-01-169649
C[C@]1(C(CC2C1C2C(=O)OC(C)(C)C)OCc1cc(c(cc1)Cl)Cl)C(=O)OC(C)(C)C	PC-id_135160559,SCHEMBL20309352	471.414	UFKNYCMQUPDKJZ-UVZXNBALSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169650
O=C(C1C2C1C(C(C2)OCc1ccc(c(c1)Cl)Cl)(C)C(=O)OC(C)(C)C)OC(C)(C)C	PC-id_144383325	471.414	UFKNYCMQUPDKJZ-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169651
C[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)C)CC1CC1)C2(Cl)Cl)C1CCCCC1	PC-id_117745404,SCHEMBL16301600	471.417	FSHBKTPXULUQNA-DYLPAERQSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169652
Cc1nc(c(cc1)c1ncccn1)C(=O)N1CC2C(O2)CC1CNc1ncc(nc1)C(F)(F)F	PC-id_90941986	471.435	LKKKAWGXSYOWFX-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-169653
CCOC(=O)[C@@]1(F)[C@H]2[C@@H]1[C@]([C@@H](C2)OCc1ccc(cc1)F)(N=[N+]=[N-])C(=O)OCc1ccccc1	PC-id_140008944	471.453	KYBIFRPPSLTWJK-PCIFRVRHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-169654
O=C([C@@H]([C@H](C(=O)N1CC2C(C1)C2)O)O)NCC1CCN(CC1)c1ccccc1OC(F)(F)F	PC-id_143153754	471.47	JAPJFWOWNJHOFO-NRERDWFFSA-N	00100010000010110000110000000000000000000000000000000000	22-01-169655
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2CC1CNc1ccc(cn1)C(F)(F)F)c1ncc(o1)C	SCHEMBL7911927,PC-id_70226919	471.475	NKFBFFQUAGZTJQ-LNKXUWQBSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169656
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1ncc(o1)C	SCHEMBL3390487,PC-id_46219305	471.475	NKFBFFQUAGZTJQ-RYRKJORJSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169657
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1onc(c1)C	PC-id_46219176,SCHEMBL2472313	471.475	QPMRPGMWSDMDOG-RYRKJORJSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169658
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2oc(cn2)C)C)nc1	PC-id_75152547	471.475	NKFBFFQUAGZTJQ-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169659
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2onc(c2)C)C)nc1	PC-id_75152510	471.475	QPMRPGMWSDMDOG-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169660
Fc1ccc(c(c1)Cc1ccc(nc1)Oc1ccc(cc1)F)NC(=O)C12CCCN1S2(=O)=O	PC-id_140692864	471.476	PWLXTBQIJRCWLS-UHFFFAOYSA-N	00100010000000111001010000000000000000000000000000000000	22-01-169661
Cc1ccc(c(n1)C(=O)N1CC2CC2CC1N(c1ccc(cn1)C(F)(F)F)C)n1cnc(n1)C	PC-id_67435507,SCHEMBL2514199	471.478	ZMMRAWHIRWMTOE-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169662
Cc1ccc(c(n1)C(=O)N1CC2CC2CC1N(c1ccc(cn1)C(F)(F)F)C)n1ncc(n1)C	SCHEMBL2515134,PC-id_67435780	471.478	RWVHVQHIICQSAO-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169663
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2CC1CNc1ccc(cn1)C(F)(F)F)n1ncc(n1)C	SCHEMBL7909860,PC-id_70226365	471.478	IBXHVRCORYGJHF-LNKXUWQBSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169664
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)n1cnc(n1)C	SCHEMBL3385515,PC-id_46219682	471.478	RFXFJESHYYNXHF-RYRKJORJSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169665
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)n1ncc(n1)C	PC-id_46219685,SCHEMBL3385150	471.478	IBXHVRCORYGJHF-RYRKJORJSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169666
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNN1CC=C(N=C1)C(F)(F)F)c1ncccn1	SCHEMBL3389706,PC-id_46219307	471.478	BZAGVOBXFCUMTB-IKGGRYGDSA-N	00100000000011101001110000000000000000000000000000000000	22-01-169667
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C1CC(C(=O)N(C1)CC(=O)N1CC2CC2C1C=O)NS(=O)(=O)C=Cc1ccc(s1)Cl	PC-id_87870749	471.978	ZTYCAPIYEGVMBP-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-169743
C1CN(C(=O)C(=C1)NS(=O)(=O)CCc1ccc(s1)Cl)CC(=O)N1CC2CC2C1C=O	PC-id_90907534	471.978	XJTBIXJNIQALCE-UHFFFAOYSA-N	00100010100111000000010000000000000000000000000000000000	22-01-169744
O=C[C@@H]1[C@H]2C[C@H]2CN1C(=O)CN1CCC[C@@H](C1=O)NS(=O)(=O)/C=C/c1ccc(s1)Cl	SCHEMBL5648862	471.978	ZTYCAPIYEGVMBP-QJIMJPDJSA-N	00100010100110000000010000000000000000000000000000000000	22-01-169745
O=C[C@@H]1[C@H]2C[C@H]2CN1C(=O)CN1CCC[C@@H](C1=O)NS(=O)(=O)C=Cc1ccc(s1)Cl	SCHEMBL7157684	471.978	ZTYCAPIYEGVMBP-QCEMKRCNSA-N	00100010100110000000010000000000000000000000000000000000	22-01-169746
CCC/C=C(/C1=C(NCc2ccc(cc2)OC)C2C(N=C1Cl)(C2C)N)CC1COC(C1)(C)C	SCHEMBL17655648,PC-id_121257799	472.063	DCYXISNAEVEPNF-DNTJNYDQSA-N	00100010000011110000010000000000000000000000000000000000	22-01-169747
C[C@]12C[C@H]1N(C(C2)C(=O)CC3=NC(=C(C=C3CSC)F)Br)C(=O)OC(C)(C)C	PC-id_162208050	472.083	BZLNZTMDILHTHN-CVEXUSBASA-N	00100010000000101000010000000000000000000000000000000000	22-01-169748
C#CCCC
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C[C@H]1C(C2([C@H](C2O1)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5	PC-id_147933693	472.152	IKJJJCNQPGCXGN-ATTNJJODSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169750
CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)N3[C@@H](CCC4C3C4)CCC5=NC=CC(=N5)C(F)(F)F	PC-id_161418573	472.154	VWKPVHOOJXWTTK-ADKAHSJRSA-N	00100000100010110001110000000000000000000000000000000000	22-01-169751
CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2)C3C[N-]C4=CC(=C(C=C4)N5CCOCC5)F	PC-id_161001652	472.171	TVYNSLXWZWLMOJ-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-169752
CC1=NC(=C(C=C1)N2N=CC(=N2)C)C(=O)N3C[C@@H]4C[C@@H]4C[C@H]3COC5=NC=C(C=C5)C(F)(F)F	PC-id_147896407	472.183	IDJQDWUSVQRILG-RYRKJORJSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169753
C1CN(CC1C2=CC=CC=C2)C(=O)CN3CC4C(C3)C4C[N-]CC5=CC(=CC=C5)OC(F)(F)F	PC-id_161431231	472.222	VYAQXHMIRRMBLB-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-169754
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)OCC3=CC=CC=C3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)[C@H](C(=O)N)O)C	PC-id_165368437	472.232	QQHOBZCFMWFGGP-KOUJMVCDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169755
CCCC(C(=O)C(=O)N)NC(=O)[C@@H]1[C@@H]2C(C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NS(=O)(=O)C	PC-id_163587245	472.236	GMMWQQYKXZVZGI-PRMSLIBYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-169756
C1COCCN1C2=C(C=C(C=C2)[N-]CC3C4C3CN(C4)CC5=CC(=CC=C5)OC6=CC=CC=C6)F	PC-id_161835727	472.241	XXBYBMYATMTATI-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-169757
CCCOC1CC2C(C2(C1C(=O)O[C@@H](C)OC(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)F)C(=O)O	PC-id_153714853	472.247	ASOKFHHOZXIWHD-YPAJLTMISA-N	00100010000010000000010000000000000000000000000000000000	22-01-169758
CC(C)OCc1ncc(cc1)OC1CC(C1)CCC1=CC=CC2C1(C2COC(=O)N=C(N)N)F	PC-id_164116587	472.249	YBRSYHGKFJLLHI-UHFFFAOYSA-N	00101000000011101000010000000000000000000000000000000000	22-01-169759
CCOC(=O)[C@@H]1C[C@]2(C[C@H]2N1C(=O)O)CN(CC(C)(C)CCC=C)C(=O)OCC3=CC=CC=C3	PC-id_152606446	472.257	YYPRPTZCRWGDQT-UZINWLIJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169760
[Sn](C12N(CCC1C2)C(=O)OC(C)(C)C)(CCCC)(CCCC)CCCC	PC-id_10004995	472.283	CJCSNCZGYISIKR-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-169761
CC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CC(CC1=O)(C)C)C#N)C2(C)C)C(C)(C)C	PC-id_163819669	472.305	NUHOPUWKOQMYLN-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-169762
CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CC(CC1=O)(C)C)C#N)C2(C)C)C(C)(C)C	PC-id_163819668	472.305	NUHOPUWKOQMYLN-KWNDPWABSA-N	00100010000000000000010000000000000000000000000000000000	22-01-169763
C1C2C1C(N(C2)S(=O)(=O)c1c(ccc(c1O)NC(=O)Nc1c(nccc1)Cl)Cl)CN	PC-id_89320104	472.346	AKGWEHSPLUBSPP-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-169764
NC[C@@H]1C2CC2CN1S(=O)(=O)c1c(Cl)ccc(c1O)NC(=O)Nc1cccnc1Cl	SCHEMBL14385918	472.346	AKGWEHSPLUBSPP-RPFQZYLTSA-N	00100010000000111000010000000000000000000000000000000000	22-01-169765
C1c2c(cc(n12)C(=O)NCc1cc(n[nH]1)c1c(cccc1F)F)C(=O)c1c(cc(cc1F)F)F	PC-id_91379507	472.367	CXMZJJFZQMWFIU-UHFFFAOYSA-N	00100000100000110001110000000000000000000000000000000000	22-01-169766
Clc1cccc(c1)C(=O)NC[C@@H]1C2C[C@H]2CN1C(=O)c1ncsc1c1cccc(c1)Cl	SCHEMBL3415497,PC-id_68633921	472.387	LIRFAEYWVFIUJA-JMRRQPBMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169767
Clc1cccc(c1)C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ncsc1c1cccc(c1)Cl	PC-id_68633919,SCHEMBL3415490	472.387	LIRFAEYWVFIUJA-ZYSHUDEJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169768
Clc1cc(C(=O)NCC2N(CC3C2C3)C(=O)c2ncsc2c2cc(Cl)ccc2)ccc1	PC-id_77530877	472.387	LIRFAEYWVFIUJA-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-169769
CCCC(C(=O)C(=O)N=C)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(Cl)Cl)C(=O)[C@H](C1CCCCC1)C	PC-id_117782053,SCHEMBL16349112	472.405	XMVHSSAXWXKTHJ-DYUCAKCYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169770
FCc1ccc(cc1S(=O)(=O)N1CC(O)CC2C(C1)C2)C(=O)Nc1cc(F)c(c(c1)F)F	PC-id_118230116,SCHEMBL16903185	472.453	ADEVEASFGHKSJH-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-169771
CCOC(=O)C1(C)C2CC2C(=O)C(C1=O)C(=O)c1ccc(c(c1C)OC(F)F)S(=O)(=O)C	SCHEMBL8679738,PC-id_67659960	472.456	YOZPOQHKTWLTQJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169772
Cc1ccc(c(n1)C(=O)N1CC2CC2CC1CNc1ncc(cn1)C(F)(F)F)c1ncc(o1)C	SCHEMBL7917287,PC-id_70228253	472.463	ZLKAQQBQHGBYRV-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169773
Cc1ccc(c(n1)C(=O)N1CC2C[C@@H]2C[C@H]1COc1ccc(cn1)C(F)(F)F)n1ncc(n1)C	PC-id_68040284,SCHEMBL10121824	472.463	IDJQDWUSVQRILG-AGPBCMBSSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169774
Cc1ccc(c(n1)C(=O)N1C[C@@H]2CC2C[C@H]1CNc1ncc(cn1)C(F)(F)F)c1ncc(o1)C	PC-id_144005651	472.463	ZLKAQQBQHGBYRV-ZWBSKUQPSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169775
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2CC1CNc1ccc(cn1)C(F)(F)F)c1nnc(o1)C	PC-id_144005676	472.463	XNAMUVAVSLJNPM-CKDQBVIESA-N	00100000100010101001110000000000000000000000000000000000	22-01-169776
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2CC1CNc1ccc(cn1)C(F)(F)F)c1onc(n1)C	PC-id_70226826,SCHEMBL7911550	472.463	YINMVIPKRYSRFU-CKDQBVIESA-N	00100000100010101001110000000000000000000000000000000000	22-01-169777
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2CC1CNc1ncc(cn1)C(F)(F)F)c1ncc(o1)C	PC-id_144005716	472.463	ZLKAQQBQHGBYRV-CKDQBVIESA-N	00100000100010101001110000000000000000000000000000000000	22-01-169778
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2CC1CNc1ncc(cn1)C(F)(F)F)c1occ(n1)C	PC-id_144005642	472.463	XDXKPSURFVVXLD-CKDQBVIESA-N	00100000100010101001110000000000000000000000000000000000	22-01-169779
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1nnc(o1)C	PC-id_46220030,SCHEMBL3390096	472.463	XNAMUVAVSLJNPM-VYDXJSESSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169780
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1onc(n1)C	SCHEMBL3386018,PC-id_46219921	472.463	YINMVIPKRYSRFU-VYDXJSESSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169781
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ncc(cn1)C(F)(F)F)c1ncc(o1)C	PC-id_46219046,SCHEMBL3386575	472.463	ZLKAQQBQHGBYRV-VYDXJSESSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169782
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ncc(cn1)C(F)(F)F)c1occ(n1)C	SCHEMBL3390518,PC-id_46218795	472.463	XDXKPSURFVVXLD-VYDXJSESSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169783
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2oc(nn2)C)C)nc1	PC-id_75152800	472.463	XNAMUVAVSLJNPM-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169784
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2onc(n2)C)C)nc1	PC-id_75152774	472.463	YINMVIPKRYSRFU-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169785
FC(F)(F)c1ccc(OCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2n2nc(cn2)C)C)nc1	PC-id_77398723	472.463	IDJQDWUSVQRILG-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169786
FC(F)(F)c1cnc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2occ(n2)C)C)nc1	PC-id_75152408	472.463	XDXKPSURFVVXLD-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-169787
CCCCCCN(CN(C1=CC2C[C@H]2C=C1C)C(=S)/C(=CC)/C)CI	SCHEMBL19301754	472.47	ICUOWMKJBXDNEU-HZGYAYBQSA-N	00100000000011000000010000000000000000000000000000000000	22-01-169788
C[C@H]1[C@H]2[C@H](O2)[C@H]([C@H]([C@@H]1OS(=O)(=O)C(F)(F)F)OCc1ccccc1)OCc1ccccc1	PC-id_137326235	472.475	LCOQGRDOTZZCRH-FHYBNVNPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169789
S(=O)(=O)(OC1C(C2OC2C(OCc2ccccc2)C1OCc1ccccc1)C)C(F)(F)F	PC-id_85375997	472.475	LCOQGRDOTZZCRH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169790
S(=O)(=O)(O[C@H]1[C@H]([C@@H]2O[C@@H]2[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C)C(F)(F)F	PC-id_11038040	472.475	LCOQGRDOTZZCRH-QDQHPCLDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169791
O1C2C1CC(C(OC(=O)c1ccccc1)C2OC(=O)c1ccccc1)COC(=O)c1ccccc1	PC-id_74025766	472.486	HEQZWKAAPCQOTP-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169792
O1[C@@H]2[C@H]1C[C@@H]([C@@H](OC(=O)c1ccccc1)[C@@H]2OC(=O)c1ccccc1)COC(=O)c1ccccc1	PC-id_23241563	472.486	HEQZWKAAPCQOTP-JYSSUKAJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-169793
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)C1CC2CC2CN1Cc1ccc(cc1)C(F)(F)F	PC-id_71186489,SCHEMBL14486693	472.499	YEYUBNKALTUIQE-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-169794
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)C1CC2CC2CN1Cc1cccc(c1)C(F)(F)F	SCHEMBL14486450,PC-id_71186309	472.499	UYOMHCYDVDDPBC-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-169795
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)C1C[C@@H]2C[C@@H]2CN1Cc1cccc(c1)C(F)(F)F	PC-id_117972946,SCHEMBL16592228	472.499	UYOMHCYDVDDPBC-ZKTCVHQMSA-N	00100000000010110000110000000000000000000000000000000000	22-01-169796
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1CCC2C(N1Cc1ccc(cc1)C(F)(F)F)C2	PC-id_71204696,SCHEMBL14555972	472.499	DFWAXGYNOHAMDI-NFOQDIRWSA-N	00100000000010110000110000000000000000000000000000000000	22-01-169797
FC(F)(F)c1ccc(CN2C3C(C3)CCC2C(=O)NC2(CC2)c2ccc(cc2)C(=O)OC)cc1	PC-id_78035884	472.499	DFWAXGYNOHAMDI-UHFFFAOYSA-N	00100000000010110000110000000000000000000000000000000000	22-01-169798
Cc1nc(c(s1)c1ccccc1)C(=O)N1[C@@H](CCC2C1C2)CNc1ccc(cn1)C(F)(F)F	PC-id_117937721,SCHEMBL16549856	472.526	DKFVDBZUQNLJFJ-AVAKVYKDSA-N	00100000100010111001110000000000000000000000000000000000	22-01-169799
Cc1nc(c(s1)c1ccccc1)C(=O)N1[C@@H](CC[C@H]2C1C2)CNc1ccc(cn1)C(F)(F)F	PC-id_117937748,SCHEMBL16549890	472.526	DKFVDBZUQNLJFJ-FAZYOCGDSA-N	00100000100010111001110000000000000000000000000000000000	22-01-169800
Cc1nc(c(s1)c1ccccc1)C(=O)N1[C@@H](CC[C@@H]2[C@H]1C2)CNc1ccc(cn1)C(F)(F)F	SCHEMBL15266348,PC-id_71746842	472.526	DKFVDBZUQNLJFJ-YTQUADARSA-N	00100000100010111001110000000000000000000000000000000000	22-01-169801
Cc1nc(c(s1)c1ccccc1)C(=O)N1[C@@H](CC[C@H]2[C@@H]1C2)CNc1ccc(cn1)C(F)(F)F	SCHEMBL15266598,PC-id_71747534	472.526	DKFVDBZUQNLJFJ-NEWSRXKRSA-N	00100000100010111001110000000000000000000000000000000000	22-01-169802
Cc1nc(c(s1)c1ccccc1)C(=O)N1[C@@H](CC[C@H]2[C@@H]1C2)CNc1nccc(c1)C(F)(F)F	PC-id_118476053,SCHEMBL17210293	472.526	GLNIWTXFMVBJJR-NEWSRXKRSA-N	00100000100010111001110000000000000000000000000000000000	22-01-169803
s1c(c(nc1C)C(=O)N1C2C(C2)CCC1CNc1ncc(cc1)C(F)(F)F)c1ccccc1	PC-id_78167911	472.526	DKFVDBZUQNLJFJ-UHFFFAOYSA-N	00100000100010111001110000000000000000000000000000000000	22-01-169804
CCc1ccc(cc1)Cc1c(cc(cc1)COC1CCCO1)OC1C(C2(C(C2(O1)CO)O)O)O	PC-id_91182706	472.527	CYBMRKBCPMAYBZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169805
O=C(OCC1[C@@H]2[C@H]1CCC=CCC2)NCCOCCOCCOCCOC(=O)NCC(=O)O	PC-id_142602515	472.529	YGVMPKNDPYITOK-DFNIBXOVSA-N	00100000000000000110010000000000000000000000000000000000	22-01-169806
CCOC(=O)C1C2C1C(CC2=CC(=O)Nc1ccccc1)(C(=O)OCC)NC(=O)OC(C)(C)C	PC-id_90963596	472.531	PHCNDMAACLITCA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-169807
CC(C)CC(C(=O)NC1(c2c1occ2)C(=C=O)Cc1ccccc1)NC(=O)OCc1ccccc1	PC-id_88079618	472.532	HCWONHRYAILIKM-UHFFFAOYSA-N	00100000100000110000010000000000000000000000000000000000	22-01-169808
O=C(c1ccc(cc1)[N+](=O)[O-])O[C@@H]1CCC[C@@H]([C@@H]2[C@H]1O2)N(Cc1ccccc1)Cc1ccccc1	PC-id_139095414	472.532	VETMSZPMLPXZHN-YAOOYPAMSA-N	00100000000000110100010000000000000000000000000000000000	22-01-169809
O=C=C([C@]1(NC(=O)[C@@H](NC(=O)OCc2ccccc2)CC(C)C)c2c1cco2)Cc1ccccc1	SCHEMBL7047842	472.532	HCWONHRYAILIKM-RBJSKKJNSA-N	00100000100000110000010000000000000000000000000000000000	22-01-169810
O=C(NCC1C2C1CN(C2)Cc1nc(NC(=O)O)ccc1)C(O)(c1ccccc1)c1ccccc1	PC-id_69117172,SCHEMBL4620490	472.536	NRXWTPDHBWIQSV-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-169811
O=C([C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C1CCCCC1)C)NC(C(=O)C(=O)C)CCC(F)(F)F	SCHEMBL16300609,PC-id_117744538	472.541	AWYMTKABMGNYMX-MEOVIWEUSA-N	00100010000010000000010000000000000000000000000000000000	22-01-169812
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CC(C(c1ccc(cc1)Cl)CC1C=CC2(C(C1)C2)Cl)NC(=O)C(OC1CC=CC=C1)(C)C	PC-id_142807616	474.462	TXHDQMCOKOHLOT-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-170069
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Cc1cccc(c1)c1sc(nc1C(=O)N1C[C@@H]2[C@H]([C@H]1CNC(=O)c1cccc(c1C)Cl)C2)C	PC-id_68445546,SCHEMBL2931298	480.022	LTODAWOVKFMTPG-SYYKKAFVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-170937
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CCOC1=C(C=C[C@H]2C1C2CC(=O)N[C@@H](CC(C)C)c1cccc(c1N1CCCCC1)C)C(=O)O	PC-id_164001770	480.299	UJOLABCYXBPFOC-VRJFTUEUSA-N	00100000000011110000110000000000000000000000000000000000	22-01-170959
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CCn1nc(cc1OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)N)C	SCHEMBL3411289	480.583	DTTSRKQUVBDARB-OKZBNKHCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171011
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OC(CCCCCC(OC(=O)C1CC2OC2CC1C)C=CCOC(=O)C1CC2OC2CC1C)O	PC-id_122624715	480.591	NTWCLIIVXGXEMQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171013
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CCOC(=O)N(C1C2C1CNC2)CCCCOC(=O)CC(c1cc(C)ccc1O)c1ccccc1	PC-id_68870075,SCHEMBL3996871	480.596	TURYWYBVUBLSSZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171017
COc1cc(CN2CC3C(C2)C3NC(=O)C(c2ccccc2)(C2CCCC2)O)cc(c1OC)OC	SCHEMBL4084017,PC-id_68905745	480.596	MODQSFUKUFLFNB-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171018
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O1C2C1C(=O)C(=CC2(O)C=CC=CC=CC(=O)NC(C)(C)C)NC(=O)C=CC=CC1CCCCC1	PC-id_85123158	480.596	PCUFLOFLQCSRGU-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-171020
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O=C(NC1C2[C@@H]1CN(C2)Cc1cc(OC)c(OC)c(OC)c1)C(O)(C1CCCC1)c1ccccc1	PC-id_68905746	480.596	MODQSFUKUFLFNB-QFXMRCBTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171022
O=C(NC1[C@@H]2[C@H]1CN(C2)Cc1cc(OC)c(OC)c(OC)c1)C(O)(C1CCCC1)c1ccccc1	PC-id_10322914	480.596	MODQSFUKUFLFNB-UWUQDQLQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171023
CCCC(C(=O)C(=O)N)NC(=O)[C@H]1N(CC2C1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)C	SCHEMBL10140208,PC-id_58605840	480.598	BZFIVSJOYDQSGD-UBICHJKXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171024
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CCC(C(=O)C(=O)N)NC(=O)[C@H]1N(CC2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C	PC-id_71178217,SCHEMBL14469822	480.598	KJYSONXWHDXNPZ-XRLSCXDPSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171029
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[Si](OCC[C@@H]1NC(=O)N(CCCCC=C[C@H]2[C@](NC1=O)(C2)C(=O)OCC)C)(C(C)(C)C)(C)C	PC-id_71028394	481.701	YSHNRGAMVCPKSE-YDIMBITNSA-N	00100000000000000111010000000000000000000000000000000000	22-01-171196
CNC(C(C)C)CC(=O)N(C(C(CC(=O)N1C2CC2CC1C(C(C)C)OC)OC)C(CC)C)C	PC-id_145135088	481.712	TZMGEMGHTPGPAA-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171197
CCCNC(=C)C(=O)C(NC(=O)C1N(C[C@H]2C1C2(C)C)C(=C)C(C1(C)CCCCC1)C)CCC#C	PC-id_143353593	481.713	XHAGYQQLNWUJKC-LGFOTOADSA-N	00100010000010000000010000000000000000000000000000000000	22-01-171198
CNCCC(OCC(NC(=O)OC[C@@H]1C2C1CCC(=C(CC2)N(CC(C)(C)C)N)N)(C)C)(C)C	SCHEMBL18461448	481.715	QBGJYLSQKZZNIC-MHJFOBGBSA-N	00100000000000000110010000000000000000000000000000000000	22-01-171199
CCCCCC(C(C1C2C1C(C(=O)C2)CC#CCCCC(=O)OCC(Cl)(Cl)Cl)O)O	SCHEMBL11729285,PC-id_21454109	481.838	YBZLMUFYJIITEW-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171200
[Si]1(O[Si](O[SiH](O[Si](O1)C)C)(CC(c1ccccc1)C)C)(CCC1CC2OC2CC1)C	PC-id_59456187	481.857	YOEJDBCZCJXTTI-UHFFFAOYSA-N	00100000000010110101010000000000000000000000000000000000	22-01-171201
CCC(CC)C(OC)OC(=O)C(C)(C12NI1N2)I	PC-id_154559871	481.956	GRBQLGWPWHQFPM-UHFFFAOYSA-N	00100000000000000001010000000000000000000000000000000000	22-01-171202
Clc1cc(c2sc(nc2C(=O)N2C3C(C3)CC2CNC(=O)c2cc(OC)ccc2)C)ccc1	PC-id_77222826	481.994	CCEVMRIFKIBBST-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171203
Clc1cc(c2sc(nc2C(=O)N2C3[C@@H](C3)C[C@H]2CNC(=O)c2cc(OC)ccc2)C)ccc1	PC-id_67081341,SCHEMBL1572081	481.994	CCEVMRIFKIBBST-VCPDFFEISA-N	00100010100000110001110000000000000000000000000000000000	22-01-171204
Clc1cc(c2sc(nc2C(=O)N2C(C3C(C3)C2)CNC(=O)c2cc(OC)ccc2)C)ccc1	SCHEMBL2926275,PC-id_68443578	481.994	MWLINTBULQXROD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171205
Clc1cc(c2sc(nc2C(=O)N2[C@@H]3[C@@H](C3)C[C@H]2CNC(=O)c2cc(OC)ccc2)C)ccc1	SCHEMBL1571555,PC-id_67081048	481.994	CCEVMRIFKIBBST-LMNJBCLMSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171206
Clc1cc(c2sc(nc2C(=O)N2[C@@H]3[C@H](C3)C[C@H]2CNC(=O)c2cc(OC)ccc2)C)ccc1	SCHEMBL1571557,PC-id_67081049	481.994	CCEVMRIFKIBBST-CUWPLCDZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171207
Clc1cc(c2sc(nc2C(=O)N2[C@@H](C3[C@H](C3)C2)CNC(=O)c2cc(OC)ccc2)C)ccc1	PC-id_68444569,SCHEMBL2929002	481.994	MWLINTBULQXROD-UBCDJDFNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171208
Clc1cc(c2sc(nc2C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)CNC(=O)c2cc(OC)ccc2)C)ccc1	SCHEMBL2926281,PC-id_57489240	481.994	MWLINTBULQXROD-DUXKGJEZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171209
C1=CC2=C(O2)C(=C1)[Bi](C3=CC=CC4=C3O4)C5=CC=CC6=C5O6	PC-id_154635093	482.036	JNIXWIOAGTVILM-UHFFFAOYSA-N	00100000000000100000010000000000000000000000000000000000	22-01-171210
Cl[N-]C(C(=O)N1C(C2C(C2C1)(C)C)C(=O)NC(CCCC)C(=O)C(=O)NCC=C)C(C)(C)C	PC-id_72429890	482.036	PTDCNILGSSYIII-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171211
Cl[N-][C@@H](C(=O)N1[C@@H]([C@H]2C([C@H]2C1)(C)C)C(=O)NC(CCCC)C(=O)C(=O)NCC=C)C(C)(C)C	PC-id_58807968	482.036	PTDCNILGSSYIII-QXJBGQOESA-N	00100010000000000000010000000000000000000000000000000000	22-01-171212
CC1CCCC2(C(O2)CC(OC(=O)CCC(C(=O)CC1)(C)C)C(=Cc1csc(n1)C)Cl)C	PC-id_91391893	482.076	PROASOLOHKYADQ-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-171213
C[C@H](C1=CC(=C(C=C1F)Cl)F)NC(=O)C2CC3CC3N2C(=O)C4=CC(=CC=C4)S(=O)(=O)C	PC-id_154606403	482.088	CGZKVSMSDQTOTQ-BRZGLGMQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171214
CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N2C3CC3CC2C(=O)NCC4=CC(=C(C=C4F)Cl)F	PC-id_154606270	482.088	DTLGVMFARYSBOO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171215
C[C@H](c1c(nccc1)Cl)OC(=O)Nc1c(nnn1C)c1ncc(cc1)NC(=O)C1[C@H]2[C@@H]1CNC2	PC-id_163901638	482.158	QKIYCNVWLNGUMM-PUPIEUBESA-N	00100010100000101001110000000000000000000000000000000000	22-01-171216
C[C@@H]1[C@H]2[C@@H]1CN([C@@H](C2)CNC3=NC=C(C=C3)C(F)(F)F)C(=O)C4=C(C=CC(=N4)C)C5=NC=CC=N5	PC-id_149527564	482.204	ZLZAPBJNFJIBMX-DJABAAGCSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171217
BrC1(Br)C2C1OC(C(OCc1ccccc1)C2OCc1ccccc1)C	PC-id_85173070	482.206	FALJZEXHYOCCPR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171218
BrC1(Br)[C@H]2[C@@H]1O[C@H]([C@H](OCc1ccccc1)[C@H]2OCc1ccccc1)C	PC-id_10528778	482.206	FALJZEXHYOCCPR-IQOMPXODSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171219
BrC1(Br)[C@@H]2[C@H]1O[C@H]([C@H](OCc1ccccc1)[C@H]2OCc1ccccc1)C	PC-id_10600822	482.206	FALJZEXHYOCCPR-QOOKETHRSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171220
C[C@H]1[C@@H]([C@H]([C@H]2C(C2(Br)Br)O1)OCc1ccccc1)OCc1ccccc1	PC-id_134865262	482.206	FALJZEXHYOCCPR-FXIMOJADSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171221
O=C(C1C2C1C=CC=C2)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	PC-id_101406582	482.237	BBCUXUCPZLETGM-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-171222
FC(F)(F)c1ncc(NCC2N(CC3C(C2)[B]3)C(=O)c2nc(ccc2C(=C)/N=C/C=CN)C)nc1	PC-id_77799226	482.289	YVXJDGYRMHKLPD-BNLHXXKSSA-N	00100000000010101001010000000000000000000000000000000000	22-01-171223
FC(F)(F)c1ncc(NC[C@H]2N(C[C@H]3[C@@H](C2)[B]3)C(=O)c2nc(ccc2C(=C)/N=C/C=CN)C)nc1	PC-id_70227849	482.289	YVXJDGYRMHKLPD-VOJHDABPSA-N	00100000000010101001010000000000000000000000000000000000	22-01-171224
O=CN(C(=O)C1C(C)(O)C(O)CC2([C@@]1(C)C2C)C)c1ccc(c(c1)I)C#N	PC-id_142266922	482.312	MUJASRMZUACYHY-WARXJDJSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171225
C1CC2C(C2COCC(=O)NCCCCCNC(=O)COCC3C4C3CCC#CCC4)CCC#C1	EMOLS-id_323983661,PC-id_154803542	482.314	YWQAIABKZQDHJD-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-171226
FC(F)(OC(=O)C1CC2OC2CC1)C(F)(F)C(F)(F)C(F)(F)OC(=O)C1CC2OC2CC1	PC-id_58895071,SCHEMBL14490159	482.319	DBAQVHCFTSUEKD-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171227
CCOC(=O)C1(C2C1C(C(C2)S(=O)(=O)Cc1cc(c(cc1)Cl)Cl)(C(=O)OCC)N)F	PC-id_90707865	482.35	MYXUCMBCQXCFRT-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-171228
CCOC(=O)[C@]1(N)[C@@H](C[C@@H]2[C@H]1[C@@]2(F)C(=O)OCC)S(=O)(=O)Cc1ccc(c(c1)Cl)Cl	SCHEMBL232799,PC-id_11271615	482.35	MYXUCMBCQXCFRT-UGXJIPPFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-171229
FC(c1cncc(c1)Nc1cc(NC2C3C2COC3)nc(n1)c1cccc(n1)C(F)(F)F)(F)F	SCHEMBL16391938,PC-id_117816348	482.382	QCOUUZDDASVZJB-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-171230
FC(c1nccc(c1)Nc1cc(NC2C3C2COC3)nc(n1)c1cccc(n1)C(F)(F)F)(F)F	SCHEMBL16391562,PC-id_117815998	482.382	IUVHFLNMIBTJCE-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-171231
OCC1CO[C@@H](C(C(C1O[C@@H]1CCC(C(O1)CO)O)O)O)OC[C@@H]1CO[C@H]2C(C([C@@H]1O)O)O2	PC-id_118087112,SCHEMBL16730543	482.476	XVILNICJCBFRNQ-CZFQDJOESA-N	00100000000010000100010000000000000000000000000000000000	22-01-171232
CCC1C2C(N2C(=O)NC1NC(=O)C=O)N(C)C1C(CCN(C1(O)O)C(=O)CC(C#N)(O)O)C	PC-id_90723256	482.488	YBRLROONVSYMJF-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-171233
FC(F)(F)Oc1cc(C(=O)NCC2C3C2CN(C3)Cc2ccc(Oc3ccccc3)cc2)ccc1	SCHEMBL5511190,PC-id_69470328	482.494	AAICTHQQVQQDKP-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171234
CC(C)(CN1CC2C(C1)C2CN(Cc1cc(ccc1)OC(F)(F)F)C(=O)Oc1cn(cn1)C)O	PC-id_90353335,SCHEMBL15967012	482.496	QTJQZKKBFNCSII-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-171235
Cc1ccc(c(n1)C(=O)N1CC2CC2CC1N(c1ccc(cn1)C(F)(F)F)C)c1ccnc(n1)C	PC-id_67427248,SCHEMBL2491064	482.501	IJHQGKADHJPGLR-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171236
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2CC1CNc1ccc(cn1)C(F)(F)F)c1nccc(n1)C	PC-id_144005679	482.501	UEGOXKNDUMTRKG-FQZXCLDYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171237
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1ccnc(n1)C	SCHEMBL3388509,PC-id_46219684	482.501	QRBHHAPZSSSQOP-AOIWGVFYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171238
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1nccc(n1)C	PC-id_46219440,SCHEMBL3387124	482.501	UEGOXKNDUMTRKG-AOIWGVFYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171239
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1ncc(cn1)C	PC-id_59363724,SCHEMBL3386636	482.501	YMPKUMSTSINQSQ-AOIWGVFYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171240
Cc1cnc(cc1)NCC1CC2CC2CN1C(=O)c1c(ccc(n1)C)c1ncc(cn1)C(F)(F)F	PC-id_90856914	482.501	PLRDCIICIPPMND-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171241
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ncc(cn2)C)C)nc1	PC-id_72270974	482.501	YMPKUMSTSINQSQ-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171242
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2nc(ccn2)C)C)nc1	PC-id_75152593	482.501	UEGOXKNDUMTRKG-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171243
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2nc(ncc2)C)C)nc1	PC-id_75152688	482.501	QRBHHAPZSSSQOP-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171244
FC(F)(F)c1cnc(NC[C@H]2N(C[C@H]3[C@H](C3)C2)C(=O)c2nc(ccc2c2ncccc2C)C)nc1	PC-id_73355150	482.501	COMIAWFBDUBVCF-AOIWGVFYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171245
FC(F)(F)c1c(nnc(c1)C)CCC1N(CC2C(C2)C1)C(=O)c1nc(ccc1c1ncccn1)C	PC-id_76528556	482.501	ZRVPRQVFNKWZHN-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171246
FC(F)(F)c1c(nnc(c1)C)CC[C@H]1N(C[C@H]2[C@H](C2)C1)C(=O)c1nc(ccc1c1ncccn1)C	PC-id_57414617	482.501	ZRVPRQVFNKWZHN-FGTMMUONSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171247
Cn1cnc(c1)S(=O)(=O)N1CC2C(C1)C2(CNC(=O)c1ccccc1C(F)(F)F)CC1CC1	PC-id_59529946,SCHEMBL13098054	482.519	XDYVFXBZMZMEHY-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-171248
Cn1cnc(c1)S(=O)(=O)N1CC2C(C1)C2(CNC(=O)c1cccc(c1)C(F)(F)F)CC1CC1	PC-id_59529952,SCHEMBL7898562	482.519	ANXDNNFEJXJPFZ-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-171249
Cn1cnc(c1)S(=O)(=O)N1C[C@@H]2[C@H](C1)C2(CNC(=O)c1ccccc1C(F)(F)F)CC1CC1	BindingDB_PC-id_76310589,PC-id_76310589	482.519	XDYVFXBZMZMEHY-HTZLVSCSSA-N	00100010100000110001010000000000000000000000000000000000	22-01-171250
Cn1cnc(c1)S(=O)(=O)N1C[C@@H]2[C@H](C1)C2(CNC(=O)c1cccc(c1)C(F)(F)F)CC1CC1	BindingDB_PC-id_76325109,PC-id_76325109	482.519	ANXDNNFEJXJPFZ-HTZLVSCSSA-N	00100010100000110001010000000000000000000000000000000000	22-01-171251
S(=O)(=O)(N1CC2C(C2C1)(CC1CC1)CNC(=O)c1ccc(cc1)C(F)(F)F)c1ncn(c1)C	PC-id_46831500	482.519	NBDLELNXDYUASD-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-171252
C1CC(C2CC2C(C1)C#C[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C#C[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	PC-id_134570352,SCHEMBL20220837	482.521	MGAZLHXNUZYDDL-IQZAHEEGSA-N	00100000000010000100010000000000000000000000000000000000	22-01-171253
O=C(OC1CCCCC1)OCOC(=O)C1CCC2C1[C@H]2C(=O)OCOC(=O)OC1CCCCC1	PC-id_142247103	482.521	CASQCQKDBGGWNS-WSXZXBBNSA-N	00100010000010000000010000000000000000000000000000000000	22-01-171254
CCCC(Oc1ccc(cc1)C(=O)Oc1ccc(cc1)OC(=O)C1CCC2C(C1)O2)OCC1CO1	PC-id_88957888,SCHEMBL12786947	482.522	YYMHMFFDPUBGSO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171255
O1C2C1CCC(C2)C(=O)Oc1ccc(cc1)C(=O)Oc1ccc(OCCCCOCC2OC2)cc1	PC-id_58220345,SCHEMBL12730788	482.522	IXZACHNJSRQUFW-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171256
O1C2C1CCC(C2)C(=O)Oc1ccc(OC(=O)c2ccc(OCCCCOCC3OC3)cc2)cc1	PC-id_58220411,SCHEMBL12730765	482.522	QBNREKXZIONKPY-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171257
O([C@]12C(C1C[C@H](OC(=O)Nc1ccccc1)[C@@H]([C@H]2OC(=O)Nc1ccccc1)C)(CO)C)C(=O)C	PC-id_10005463	482.526	KZMAEZQRRUHNEU-WXQXZYNPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171258
O[C@]12C(C1C[C@H](OC(=O)Nc1ccccc1)[C@@H]([C@H]2OC(=O)Nc1ccccc1)C)(COC(=O)C)C	PC-id_10073980	482.526	LJGVALRXUBVMCQ-WXQXZYNPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171259
O(C12C(C1CC(OC(=O)Nc1ccccc1)C(C2OC(=O)Nc1ccccc1)C)(CO)C)C(=O)C	PC-id_85089657	482.526	KZMAEZQRRUHNEU-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171260
O1[C@@]2([C@@H]1[C@H](OC2)C(O)n1cc(c(=O)[nH]c1=O)C)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_57313090	482.527	ARYBIUUZTUCIPF-HMOQDQEGSA-N	00100010000000110001010000000000000000000000000000000000	22-01-171261
COc1ccc(cc1CC1C(NCC2(C1C2)N)C(c1ccccc1)c1ccccc1)OC(F)(F)F	SCHEMBL4915169,PC-id_53878264	482.537	HHYQUPQBMZVAKB-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171262
COc1ccc(cc1CNC1C2CC2CNC1C(c1ccccc1)c1ccccc1)OC(F)(F)F	SCHEMBL4915151,PC-id_10299593	482.537	NAYKKQGNKDEKJC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171263
O=C(Nc1cccc(c1)C(F)(F)F)CNC(=O)[C@@H]1[C@@H]2[C@H]1CC=C(C2)CC1CC(C1)c1ccccc1	PC-id_144441978	482.537	NFJCHXBBTHHGJO-RMFQGBRISA-N	00101000000011110000110000000000000000000000000000000000	22-01-171264
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCC(CC1)(F)F	PC-id_89239353,SCHEMBL14058521	482.544	QICWQXKBLGXINR-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-171265
S(=O)(=O)(N[C@@H](C(=O)N1C(C2C(C2)C1)C(=O)NCc1ccc(cc1)C#N)CO)Cc1ccccc1	PC-id_10277623	482.552	HMVKFHZDYRQBEZ-OFFIPQNZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171266
O=C(N(C1CCC2C(C1)C2)CCN1CCN(CC1)CC1CC1)Nc1ccc(c(c1)C(F)(F)F)F	PC-id_142251213	482.557	KOMWSNGRGDLRRP-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-171267
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C#CCNC(=O)C(C1SC2C(C2C(N1CC)O)CNc1cccc(c1)CN1CCOCC1)C#N	PC-id_143242160	483.626	NEABJMIZPSORTO-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-171415
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[Si](OC1OC(C2N(C12)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)(C(C)(C)C)(C)C	PC-id_85306498	483.629	WXJUMPZGFOJNDS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171418
[Si](O[C@@H]1O[C@@H]([C@@H]2N([C@H]12)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)(C(C)(C)C)(C)C	PC-id_10896181	483.629	WXJUMPZGFOJNDS-QGXSULNLSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171419
[Si](O[C@H]1O[C@@H]([C@@H]2N([C@H]12)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)(C(C)(C)C)(C)C	PC-id_11059951	483.629	WXJUMPZGFOJNDS-WZJVVCJJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171420
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CC1CCCC2(C)OC2(CC2CO2)CC(C=Cc2ccccn2)OC(=O)CCC(C(=O)CC1)(C)C	PC-id_142025439	483.64	SXFGWRXCSXEOGC-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-171422
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CCN(C(=O)c1ccc(cc1)NCC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C)CC	PC-id_69034334,SCHEMBL4414552	483.666	LCKCTHDJOUBRNU-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171425
[Si](OC(C1OC(=O)C2NC12)CC=Cc1ccccc1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_74408509	483.673	HBGQWMYDCUNBSO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171426
[Si](O[C@H]([C@H]1OC(=O)[C@@H]2N[C@H]12)C/C=C/c1ccccc1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_25227969	483.673	HBGQWMYDCUNBSO-DKSBLIADSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171427
Clc1ccc(S(=O)(=O)N2C(C3C(C3)C(OC(=O)N3CCN(CC3)CCO)C2C)C=C)cc1	PC-id_77319739	484.009	KJARXJXBFIWLEY-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-171464
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CCCC12CC(OC(=O)CCC(C)(C)C(=O)CCC(CCCC2(O1)C)C)C(=Cc1ccccn1)C	PC-id_88199351,SCHEMBL7771787	483.683	SWOKYYSCQSYVKD-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-171429
C/C(=Cc1ccc(C)cn1)/[C@@H]1C[C@@H]2C[C@@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1	PC-id_44403682,CHEMBL194426	483.683	ZOWOWBLPNYAVIE-CIOIYJDHSA-N	00100000000000101100010000000000000000000000000000000000	22-01-171430
O1C(CC2C(C2)(CCCC(C(O)C(C(=O)C(CCC1=O)(C)C)C)C)C)C(=Cc1ncc(cc1)C)C	PC-id_75020325	483.683	ZOWOWBLPNYAVIE-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-171431
OC1(C2C(C2)C=CC1=O)CC(NC(=O)C=CC=CC=CC(CC(CC(=CC(CC)C)C)C)C)CO	PC-id_85051348	483.683	ROPXKQBFIFQSIE-UHFFFAOYSA-N	00100000000011000000010000000000000000000000000000000000	22-01-171432
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CCC(=C(C(c1ccccc1)C(=C(C)C)C(=NCCC1CC2C=C2C=C1)C)C(=O)CCCC=CC)C	PC-id_91036181	483.727	WTDVACXCJBUJKE-UHFFFAOYSA-N	00110000000011110000010000000000000000000000000000000000	22-01-171436
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CCC1(C)[C@@H]2[C@H]1C(N(C2)C(=C)C(C(C)(C)C)NC(=C)NC(C(C)C)CCC(=C)CC(C)C)C(=C)C	PC-id_143104738	483.815	FZPXFPWHYIFLNV-NCISIAJHSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171440
CCCCCC(C(C1C2C1C(C(=O)C2)CC=CCCCC(=O)OCC(Cl)(Cl)Cl)O)O	SCHEMBL11732728,PC-id_53858286	483.853	GURSXDTUVXMEPO-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171441
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Cc1cccc(c1)c1sc(nc1C(=O)N1C[C@H]2[C@@H]([C@H]1CNC(=O)c1cccc(c1Cl)F)C2)C	SCHEMBL1340277,PC-id_66998737	483.985	ASTOQJRHFSSPRE-XKGZKEIXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171449
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Cc1cccc(c1)c1sc(nc1C(=O)N1C(CNC(=O)c2cccc(c2Cl)F)CC2[C@@H]1C2)C	PC-id_67081522,SCHEMBL1572385	483.985	DFEZEWXKBNGOEN-UHYCVJNDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171451
Cc1sc(c(n1)C(=O)N1CC2C(C1CNC(=O)c1ccc(cc1Cl)F)C2)c1cccc(c1)C	PC-id_68445481,SCHEMBL2931151	483.985	ISHHSTAPRSERNY-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171452
Cc1sc(c(n1)C(=O)N1C[C@H]2C([C@H]1CNC(=O)c1ccc(cc1Cl)F)C2)c1cccc(c1)C	PC-id_66998579,SCHEMBL1339802	483.985	ISHHSTAPRSERNY-FLBPPNPVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171453
Cc1sc(c(n1)C(=O)N1C[C@@H]2C([C@H]1CNC(=O)c1ccc(cc1Cl)F)C2)c1cccc(c1)C	SCHEMBL2931154,PC-id_68445484	483.985	ISHHSTAPRSERNY-SVAIFQIPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171454
Cc1sc(c(n1)C(=O)N1C[C@@H]2[C@H]([C@H]1CNC(=O)c1ccc(cc1Cl)F)C2)c1cccc(c1)C	PC-id_24815097,SCHEMBL2925376	483.985	ISHHSTAPRSERNY-OZOXKJRCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171455
Cc1sc(c(n1)C(=O)N1C[C@H]2[C@@H]([C@H]1CNC(=O)c1ccc(cc1Cl)F)C2)c1cccc(c1)C	SCHEMBL1339800,PC-id_66998578	483.985	ISHHSTAPRSERNY-NBHGPNQESA-N	00100010100000110001110000000000000000000000000000000000	22-01-171456
Clc1cccc(c1)C(=O)NC[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1ccc(c(c1)F)C)C	PC-id_68633096,SCHEMBL3413277	483.985	MNULEDJBJDMEQF-PRZWFREHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171457
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Clc1cc(C(=O)NCC2N(CC3C2C3)C(=O)c2nc(sc2c2cc(F)c(cc2)C)C)ccc1	PC-id_77530723	483.985	MNULEDJBJDMEQF-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171459
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CCn1cc(c(n1)C)C(=O)NCC1C2CC2CN1C(=O)c1c(sc(n1)C)c1cc(ccc1)Cl	PC-id_91005318	484.014	QQIAQOKDSQOEQC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171466
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CC1=CC(=C(C=C1)C)C(=O)N2C[C@H]([C@@H](C2)OC3=CC=CC(=C3)CS(=O)(=O)N4CCC5C4C5)OC	PC-id_150189480	484.203	FNDBGGIHXRPVOV-WANAXYPZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171486
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CC(C)(C)[Si](C)(C)OC[C@@H](C1=CC=CC=C1)N2C(=CC(=N2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4	PC-id_153297993	484.251	LUASLUKVSARKLY-LAVFIBBASA-N	00100010100000110001010000000000000000000000000000000000	22-01-171488
C1CC2C(C2COCC(=O)NCCOCCNC(=O)COCC3C4C3CCC#CCC4)CCC#C1	EMOLS-id_323983917,PC-id_146673073	484.294	ZVQLLJYKJNISBS-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-171489
CC(CCN=C(N)N)CC(C(=O)C(C)(C)C1=CC=CC2=C(C2)C=C1)NC1/C=CC=C/C=CC=CC1=C	PC-id_164118351	484.32	YDFXKMUZNSZWEM-TXMFWVQKSA-N	00110000000000000110010000000000000000000000000000000000	22-01-171490
CC1CCC(CO1)C(=O)OC(C(C(C(OC(=O)C1CCC2C(C1)O2)(F)F)(F)F)(F)F)(F)F	SCHEMBL12856878,PC-id_88972100	484.335	LYTAZLYDXJORSM-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171491
CCC12CC(N=C/C(=CC1(C2)CC)/CC#N)C(C(N)N)C(=O)NC3CNCCC3N4CCNCC4	PC-id_155150865	484.364	FGFZZFPRHBJCMI-JKFCBFAWSA-N	00100000000010000111110000000000000000000000000000000000	22-01-171492
C[C@H]1CCC[C@@]2(C(N2)C[C@H](OC(=C)C[C@@H](C(C(=C)[C@@H]([C@H]1O)C)(C)C)C)/C(=C/c1cc(no1)C)/C)C	PC-id_164030428	484.366	YKOMZNYWQKDMIT-RAPQXCROSA-N	00100000100000000101010000000000000000000000000000000000	22-01-171493
Clc1cc(CSC2C(N)(C3C(C3(F)C(=O)OCc3ccccc3)C2)C(=O)O)ccc1Cl	PC-id_72976652	484.368	BSNCSFJFPMCFLU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-171494
Clc1cc(CS[C@H]2[C@](N)([C@H]3[C@H]([C@]3(F)C(=O)OCc3ccccc3)C2)C(=O)O)ccc1Cl	SCHEMBL5093944,PC-id_11477246	484.368	BSNCSFJFPMCFLU-OUSKECTQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-171495
Brc1cnc(nc1)NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2923549,PC-id_68442454	484.412	NNUWUVIUSLCALT-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171496
Brc1cnc(nc1)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081174,SCHEMBL1571807	484.412	JJYPMUVMTCCHFA-NJAFHUGGSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171497
Brc1cnc(nc1)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_24815583,SCHEMBL2927987	484.412	NNUWUVIUSLCALT-KBAYOESNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171498
Brc1cnc(nc1)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL1340189,PC-id_66998712	484.412	NNUWUVIUSLCALT-RYQLBKOJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171499
Brc1cnc(NC[C@@H]2N(C[C@H]3[C@@H]2C3)C(=O)c2nc(sc2c2cc(ccc2)C)C)nc1	PC-id_57489176	484.412	NNUWUVIUSLCALT-SZMVWBNQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171501
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Cc1nc(c(cc1)c1ccc(cc1)F)C(=O)C1C2CC2CC(N1)CNc1ncc(cc1)C(F)(F)F	PC-id_91296392	484.489	BPELACOHDDNNFV-UHFFFAOYSA-N	00100000000010111000110000000000000000000000000000000000	22-01-171507
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ccc(F)cc2)C)nc1	PC-id_75152407	484.489	UMQYHIJRZNTNOW-UHFFFAOYSA-N	00100000000010111000110000000000000000000000000000000000	22-01-171508
CC(=O)OCOC(=O)[C@@H]1[C@H](CSc2ccc(c(c2)C)F)[C@H]([C@@H]2[C@H]1[C@H]2C(=O)OCOC(=O)C)O	PC-id_144383350	484.492	MTXLEXNZPQXSQE-BQKWTINTSA-N	00100010000010110000010000000000000000000000000000000000	22-01-171509
FC(F)OC12OC1=C(N=CC2)C(OCC1CC1)N(c1ccc(cc1)C1NNNN1)c1ccccc1	PC-id_85082394	484.498	NPLCKYSPLZFCDF-UHFFFAOYSA-N	00100010000011110001110000000000000000000000000000000000	22-01-171510
CN(c1ccccc1)c1nc(nc(n1)N)c1noc(n1)C(=O)N1CC2C(C1)C2COc1ccccc1	SCHEMBL796478,PC-id_89974778	484.51	IPMKYBZCJJQTPR-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171511
Nc1nc(nc(n1)N(c1ccccc1)C)c1noc(n1)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2COc1ccccc1	SCHEMBL15480830	484.51	IPMKYBZCJJQTPR-BWTSREIZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171512
FC(F)(F)c1ccc(OCC2N(CC3C(C3)C2)C(=O)c2c(ccc(c2)C)C(=C)/N=C/C=CN)nc1	PC-id_77795035	484.513	DOJCCJWPFUHSBE-BZVDIPLCSA-N	00100000000010111000010000000000000000000000000000000000	22-01-171513
FC(F)(F)c1ccc(OC[C@H]2N(C[C@H]3[C@H](C3)C2)C(=O)c2c(ccc(c2)C)C(=C)/N=C/C=CN)nc1	PC-id_70210746	484.513	DOJCCJWPFUHSBE-CKUJIYBCSA-N	00100000000010111000010000000000000000000000000000000000	22-01-171514
N/C=CC=N/C(=C)c1ccc(cc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COc1ccc(cn1)C(F)(F)F)C	SCHEMBL7862320	484.513	DOJCCJWPFUHSBE-VTGZPOSKSA-N	00100000000010111000010000000000000000000000000000000000	22-01-171515
Fc1ccc(c(c1)Cc1cccc(c1)OCc1ccc(cc1)F)NC(=O)[C@@]12CCCN1S2(=O)=O	PC-id_140692858	484.515	JGBZVZNFZRNCPE-GMMLNUAGSA-N	00100010000000110001010000000000000000000000000000000000	22-01-171516
Fc1ccc(c(c1)Cc1cccc(c1)OCc1ccccc1F)NC(=O)[C@@]12CCCN1S2(=O)=O	PC-id_140692875	484.515	KNVCKDDZUHWWDK-GMMLNUAGSA-N	00100010000000110001010000000000000000000000000000000000	22-01-171517
CC1CC(=NC(=C1c1ncccn1)C(=O)N1CC2CC2CC1CNc1ncc(cc1)C(F)(F)F)C	PC-id_91237166	484.517	QLDNYOFSSYDGOP-UHFFFAOYSA-N	00100000000011101001110000000000000000000000000000000000	22-01-171518
CCN(c1ccc(cc1)C(=O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)NC12C=CN=CCC1=C2)C	PC-id_143997035	484.525	UJDKGYAOBCBHPF-UHFFFAOYSA-N	00110000000000110111110000000000000000000000000000000000	22-01-171519
Cc1cnc(NCCN(C)c2ccccc2)c(S(=O)(=O)N2C[C@]3(C(F)(F)F)C[C@]3(CO)C2)c1	ZINC22_1875335913	484.535	LNOJNJVSBAXTGQ-NHCUHLMSSA-N	00100010000000111000010000000000000000000000000000000000	22-01-171520
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Cc1ccc(cc1)S(=O)(=O)OCC1C2C(O2)C(O1)(COS(=O)(=O)c1ccc(cc1)C)OC	PC-id_88100394	484.54	IBPSIFRBQINYCH-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171524
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CO[C@@]1(COS(=O)(=O)c2ccc(cc2)C)O[C@@H]([C@H]2[C@@H]1O2)COS(=O)(=O)c1ccc(cc1)C	SCHEMBL7151512	484.54	IBPSIFRBQINYCH-ANULTFPQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171526
CCOC(=O)C1C2C1C(CC2NC(=O)C#Cc1ccccc1)(NC(=O)OC(C)(C)C)C(=O)OCC	PC-id_69933772,SCHEMBL6906908	484.541	VLCKNWUHMCYISX-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-171527
CCOC(=O)[C@H]1C2C1C(CC2NC(=O)C#Cc1ccccc1)(NC(=O)OC(C)(C)C)C(=O)OCC	PC-id_69933773,SCHEMBL6906911	484.541	VLCKNWUHMCYISX-QSYGPDPHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-171528
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O1C2(C1C(OC2)C(O)N1CC(C(=O)NC1=O)C)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_76504911	484.543	KEPAYTZRUCCTEI-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-171530
O=S1(=O)c2c1c(ccc2S(=O)(=O)c1ccccc1)S(=O)(=O)S(=O)(=O)c1ccccc1	PC-id_143596712	484.543	GDIJPCOHZHHBMX-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-171531
CCn1c(cc(n1)C)OC(=O)NCC1C2CC2CN1C(=O)c1c(sc(n1)N)c1cc(ccc1)F	PC-id_87524083	484.546	CPYXNBQIEMCHFM-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171532
CCn1nc(cc1OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)F)N)C	SCHEMBL3414654	484.546	CPYXNBQIEMCHFM-BHYGNILZSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171533
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CC(=O)OCCC1C(=O)NC2(CC2C=CCCCCN(C(=O)N1)C)C(=O)NS(=O)(=O)C1CC1	PC-id_91136514	484.566	PGPQYJVASBOPFU-UHFFFAOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-171535
CC(=O)OCC[C@@H]1NC(=O)N(C)CCCC/C=C[C@H]2[C@](NC1=O)(C2)C(=O)NS(=O)(=O)C1CC1	SCHEMBL8087645	484.566	PGPQYJVASBOPFU-YNMIIZOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-171536
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CC(C)C1CC[C@](C1/C=C(/c1c(cccc1F)F)N=NC=C)(C)C(=O)N1C[C@@H]2[C@H](C1)C2C(=O)NC	PC-id_134545729	484.581	PAJZXQYKBLOLEY-BVUFVJORSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171540
C=C/N=NC(=C/C1[C@@H](CC[C@]1(C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2C(=O)NC)C(C)C)c1c(F)cccc1F	SCHEMBL20192972	484.581	PAJZXQYKBLOLEY-NIRJSLFZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171541
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O=C(c1cc(CN2CC3C(C2)C3)cc(n1)C1CC1)Nc1cccc(c1)C1(COC1)Cc1nncn1C	SCHEMBL21200878,PC-id_139350443	484.593	ZUNJOUJNNISQKW-UHFFFAOYSA-N	00101010100000111001110000000000000000000000000000000000	22-01-171543
O=C(c1cc(CN2CCC3C2C3)cc(n1)C1CC1)Nc1cccc(c1)C1(COC1)Cc1nncn1C	PC-id_139349926,SCHEMBL21200326	484.593	DFMVTXPBVBJBAQ-UHFFFAOYSA-N	00101010100000111001110000000000000000000000000000000000	22-01-171544
Cc1c(ccc(c1)C(c1cc(c(cc1)OC)C)(C(=O)OC1CCC2C(O2)C(C1)[N+](C)(C)C)O)OC	PC-id_89108500	484.604	PBSLFTQNTGKSPU-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-171545
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CCCOP(N(C(C)C)C(C)C)OCCOCCNC(=O)OCC[C@@H]1[C@H]2[C@@H]1CCC#CCC2	SCHEMBL14770168	484.609	QGPCRINRBMYNPK-IXGGYAOXSA-N	00100000000000000110010000000000000000000000000000000000	22-01-171548
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OC(=O)CN[C@@H](C(=O)[N+]1(CCC[C@H]2[C@@]1(C2)C(=O)N)Cc1ccc(cc1)C(=N)N)CC1CCCCC1	SCHEMBL7314621	484.611	FGBZLWJHRNHXCK-AKTUWYQQSA-O	00100000000010110000010000000000000000000000000000000000	22-01-171552
C=CCO[Si](c1ccccc1)(c1ccccc1)OC[C@H](N1C(=O)C2C(C1=O)N2C)c1ccccc1	PC-id_101680723	484.618	AIPQGBXQTKNTKW-VIIRMWRASA-N	00100010000000110000010000000000000000000000000000000000	22-01-171553
[Si](OCC(N1C(=O)C2N(C2C1=O)C)c1ccccc1)(OCC=C)(c1ccccc1)c1ccccc1	PC-id_10413057	484.618	AIPQGBXQTKNTKW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171554
CC(C)(CCCCC1C=CC(=C1)CCC(=O)C1=CC2C(=C1CCCCC(C)(C)C(=O)O)O2)C(=O)O	PC-id_87504072,SCHEMBL3280307	484.624	DLHPLKJGERGFII-UHFFFAOYSA-N	00100011000000000000010000000000000000000000000000000000	22-01-171555
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CC1(C2C1C(N(C2)C(=O)C(C1(CCCCC1)C)N)C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C	PC-id_88273963	484.631	QNBFHJWCGKDCFX-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-171558
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(CC2C1C2(C)C)C(=O)[C@H](C1(C)CCCCC1)N)CCC#C	SCHEMBL14595892	484.631	QNBFHJWCGKDCFX-XWCYNJGWSA-N	00100010000010000000010000000000000000000000000000000000	22-01-171559
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2C1C2(C)C)C(=O)[C@H](C1(C)CCCCC1)N)CCC#C	SCHEMBL8280783	484.631	QNBFHJWCGKDCFX-GODQOOGASA-N	00100010000010000000010000000000000000000000000000000000	22-01-171560
C#CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C1(C)CCCCC1)N)CC1CC1	SCHEMBL8280177	484.631	XXCUKVGGAMEPHE-YVFZDIIHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-171561
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C1(C)CCCCC1)N)CCC#C	SCHEMBL13817720	484.631	QNBFHJWCGKDCFX-YVFZDIIHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-171562
N#Cc1ccccc1c1ccc(c(n1)C(=C)CCC1=CC2(C(C=C1)C2)C)C(=O)CCCc1ccccc1	PC-id_143621545	484.631	SQZKNBZVEOSKCM-UHFFFAOYSA-N	00100000000011111000110000000000000000000000000000000000	22-01-171563
Cc1ccc(cc1)N(C1=CC=C(C2C1C2)N(c1ccc(cc1)N)c1ccc(cc1)N)c1ccc(cc1)C	PC-id_143493300	484.634	RDIUKSAYOBEQPQ-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-171564
C1(C(=O)N(CCN(Cc2ccccc2)C(=O)C2C3C2CCCC3)Cc2ccccc2)C2C1CCCC2	PC-id_2830912,MCULE-2430681687,TIMTEC152135,SPECS-id_AG-205/33646008,EMOLS-id_2049434	484.672	FPJXCYROJGCBAX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171565
O=C(C1[C@H]2CCCC[C@H]12)N(CCN(Cc1ccccc1)C(=O)C1[C@H]2CCCC[C@H]12)Cc1ccccc1	PC-id_98092897,ZINC22_100300092	484.672	FPJXCYROJGCBAX-LJWNLINESA-N	00100000000010110000010000000000000000000000000000000000	22-01-171566
O=C(C1[C@H]2CCCC[C@H]12)N(CCN(Cc1ccccc1)C(=O)C1[C@H]2CCCC[C@@H]12)Cc1ccccc1	PC-id_98092898,ZINC22_100300095	484.672	FPJXCYROJGCBAX-FTVDGDNDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171567
O=C(C1[C@H]2CCCC[C@H]12)N(CCN(Cc1ccccc1)C(=O)C1[C@@H]2CCCC[C@@H]12)Cc1ccccc1	ZINC22_100300099	484.672	FPJXCYROJGCBAX-HCOFYKJDSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171568
O=C(C1[C@@H]2CCCC[C@@H]12)N(CCN(Cc1ccccc1)C(=O)C1[C@@H]2CCCC[C@@H]12)Cc1ccccc1	ZINC22_229891968,PC-id_100866775	484.672	FPJXCYROJGCBAX-BIYDSLDMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171569
O=C(C1[C@@H]2CCCC[C@@H]12)N(CCN(Cc1ccccc1)C(=O)[C@@H]1[C@H]2CCCC[C@@H]12)Cc1ccccc1	ZINC22_239302819	484.672	FPJXCYROJGCBAX-CURFQXNNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171570
O=C(C1[C@H]2CCCC[C@H]12)N(CCN(Cc1ccccc1)C(=O)[C@@H]1[C@H]2CCCC[C@@H]12)Cc1ccccc1	ZINC22_239302821	484.672	FPJXCYROJGCBAX-RKBVRRORSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171571
O=C(C1[C@@H]2[C@H]1CCCC2)N(Cc1ccccc1)CCN(C(=O)C1[C@H]2[C@H]1CCCC2)Cc1ccccc1	PC-id_99723655	484.672	FPJXCYROJGCBAX-SRSNWTHTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171572
O=C([C@@H]1[C@H]2CCCC[C@@H]12)N(CCN(Cc1ccccc1)C(=O)[C@@H]1[C@H]2CCCC[C@@H]12)Cc1ccccc1	ZINC22_239302820,CoCoCo_595323	484.672	FPJXCYROJGCBAX-KSLSAIHYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171573
O=C([C@@H]1[C@@H]2[C@H]1CCCC2)N(Cc1ccccc1)CCN(C(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)Cc1ccccc1	CoCoCo_595324	484.672	FPJXCYROJGCBAX-HYQNUUMSSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171574
O=C([C@@H]1[C@H]2[C@@H]1CCCC2)N(Cc1ccccc1)CCN(C(=O)[C@@H]1[C@H]2[C@@H]1CCCC2)Cc1ccccc1	CoCoCo_595325	484.672	FPJXCYROJGCBAX-JRADNYHTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171575
O=C(NCC1=CC2CC2C=CC1)CCCCN(C(=O)Cc1ccccc1)CCCCc1ccccc1	PC-id_142821477	484.672	SJUAPQBBVLKXDJ-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-171576
O=C(N(CCN(C(=O)C1[C@H]2[C@@H]1CCCC2)Cc1ccccc1)Cc1ccccc1)C1[C@@H]2[C@H]1CCCC2	PC-id_1822062	484.672	FPJXCYROJGCBAX-QHNOGPKKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171577
C1C=CC=C(CC1)C(=NC1=CC2C(C=C1)C2)C1C=CCC(=CC1)C(=NC1=CCCC=C1)c1ccccc1	PC-id_143038937	484.674	FQRWZLUZAJEEJK-UHFFFAOYSA-N	00100000000011110110010000000000000000000000000000000000	22-01-171578
[Si](OC[C@H]1O[C@H]2[C@H]([C@@H]2CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)(C)C)(C)C	PC-id_16120632	484.7	UMJQROFPVCORLG-SBMMCKKCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171579
Cc1cccc(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CCC([Si](c1ccccc1)(c1ccccc1)O)(C)C	SCHEMBL7874147,PC-id_70213892	484.705	LJWCXFURGPSXIB-DSNGMDLFSA-N	00100000000010111000010000000000000000000000000000000000	22-01-171580
Cc1cccc(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_66741994,SCHEMBL607942	484.705	PZZJSQHUYPTWQO-DSITVLBTSA-N	00100000000010111000010000000000000000000000000000000000	22-01-171581
[Si](OCC1N(CC2C(C2)C1)C(=O)c1nc(ccc1)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_77183512	484.705	PZZJSQHUYPTWQO-UHFFFAOYSA-N	00100000000010111000010000000000000000000000000000000000	22-01-171582
[Si](O)(C(CCC1N(CC2C(C2)C1)C(=O)c1nc(ccc1)C)(C)C)(c1ccccc1)c1ccccc1	PC-id_77795534	484.705	LJWCXFURGPSXIB-UHFFFAOYSA-N	00100000000010111000010000000000000000000000000000000000	22-01-171583
C1CC2OC2CC1CC(C(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2)CCC1CCC2C(C1)O2	SCHEMBL12632857,PC-id_57683782	484.71	SSQXCEJGUUTVRI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171584
CC1(CCC(CC1)COC(=O)C1CC2C(S2)CC1C(=O)OCC1CCC2(C(C1)S2)C)S	PC-id_90145951,SCHEMBL15703187	484.735	AVLFGGOCQWILOI-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171585
CCC12CC(CCC1(C2)C)CC1=NC(C(=C(S1)c1ccc(cc1)OCC(C(C)(C)OC)N)C)C	PC-id_91145329	484.737	LRGAFNDPGLDBSW-UHFFFAOYSA-N	00100000000011110001110000000000000000000000000000000000	22-01-171586
CCCC(=CC(CO)C12CC1CCC2=C)C1CCC(C1(C)C)C(C)C=CC(C)C(C)(C)OC(=O)C	PC-id_89163139	484.753	TYJRNSYKNSSRCO-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171587
CCC/C(=C[C@H](C12C[C@H]2CCC1=C)CO)/[C@@H]1CC[C@@H](C1(C)C)[C@@H](/C=C/[C@@H](C(OC(=O)C)(C)C)C)C	SCHEMBL13758087	484.753	TYJRNSYKNSSRCO-GSZURWKUSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171588
C[Si](O[Si](O[Si](CCCC1CCC2C(C1)O2)(C)C)(C)C)(CCCC1CCC2C(C1)O2)C	PC-id_101390180	484.892	ORHZPQXKNAJNDC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171589
[Si](CC(OC)(CC(CCC1CC2OC2CC1)(CC(O[Si](C)(C)C)(CCC)C)C)C)(C)(C)C	PC-id_59938343	484.903	OEFGVYVEIZXPFK-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171590
Clc1c(Oc2ncnc(OCC34C(C3)CN(CC4)C(=O)OC3(CC3)C)c2OC)ccc(c1)C#N	SCHEMBL10133923,PC-id_46931467	484.932	GFJZIASFSIGZKE-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-171591
Clc1c(Oc2ncnc(OCC34C(C3)CN(CC4)C(=O)OC3(CC3)C)c2OC)ccc([N+]#[C-])c1	SCHEMBL10116669,PC-id_58061797	484.932	BYABCUIPUCXXOB-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-171592
CC(C)n1cc(nc1)OC(=O)N(CC1C2C1CN(C2)CCC(F)(F)F)Cc1cc(ccc1)Cl	PC-id_90353613,SCHEMBL15967295	484.942	ARPKJSULLZPLEH-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-171593
CCCn1cc(nc1)OC(=O)N(CC1C2C1CN(C2)CCC(F)(F)F)Cc1cc(ccc1)Cl	SCHEMBL15967275,PC-id_90353594	484.942	HRBQNWMLLHMMIR-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-171594
C1C[C@H]2[C@H](C2CN(CO)c2c(cc(cc2)F)Cl)C[C@@H]1NC(=O)C1=NN(C(=O)C1)c1ccccc1	PC-id_134465620,SCHEMBL20103112	484.95	STGDCZZEEYXQFP-BVXPGSOGSA-N	00100011000010110001110000000000000000000000000000000000	22-01-171595
OCCCn1c(=O)c(C)c(n(c1=O)C)N=C(C(CC1=CCC(C=N1)Cl)C)OC1c2c1cccc2	PC-id_144707482	484.975	JCBIMSABYMSKDI-UHFFFAOYSA-N	00100000000011100001010000000000000000000000000000000000	22-01-171596
CCn1cc(c(n1)C)C(=O)NCC1C2CC2CN1C(=O)c1c(sc(n1)N)c1cc(ccc1)Cl	PC-id_90716961	485.002	XJYHDLHHJDZAMK-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171597
Clc1cc(c2sc(nc2C(=O)N2C(C3C(C3)C2)CNC(=O)c2n(nc(c2)C)CC)N)ccc1	PC-id_76542691	485.002	PESSDTHMJLZYCS-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171598
Clc1cc(c2sc(nc2C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)CNC(=O)c2n(nc(c2)C)CC)N)ccc1	PC-id_57489283	485.002	PESSDTHMJLZYCS-QGPMSJSTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171599
COC1(CC(OC(=O)C)CC(O1)C)c1ccc(c(c1)Cc1ccc(cc1)OC1CC2C(C1)C2)Cl	PC-id_144497722	485.012	SDEFYAXSYUMZIP-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-171600
CC12CCCCC1C2C(=O)N/N=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])Br	PC-id_154778112	485.095	BMNIGCHLCRTFRF-MXAYSNPKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171601
ClC1C(OC2(OC2CC=CC1)CC)CCO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85314989	485.13	VWMAGODXQTWSNF-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-171602
Cl[C@@H]1[C@@H](O[C@@]2(O[C@@H]2CC=CC1)CC)CCO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10917881	485.13	VWMAGODXQTWSNF-WDTRASESSA-N	00100000000000110110010000000000000000000000000000000000	22-01-171603
Cl[C@@H]1[C@@H](O[C@]2(O[C@H]2CC=CC1)CC)CCO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11049180	485.13	VWMAGODXQTWSNF-OBXRUURASA-N	00100000000000110110010000000000000000000000000000000000	22-01-171604
CC1=CC(=C(C=C1F)[C@@H](C2COC2)NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)C5=NOC(=C5)C(F)(F)F)F	PC-id_161921683	485.137	YIBZXCINNNFHGY-PVFBKLFWSA-N	00101010100000110001010000000000000000000000000000000000	22-01-171605
CC(C)(C)OC(=O)NCC(=CF)COc1ncc(cc1)S(=O)(=O)N1C[C@@H]2[C@H](C1)C2C(=O)OC	PC-id_163547489	485.163	NGDXLODWHKFEDJ-BYICEURKSA-N	00100010000000101000010000000000000000000000000000000000	22-01-171606
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2NC(=O)C3=NC=CC(=C3)CC(=O)CC4=C(C=CC(=C4)Cl)O	PC-id_162109099	485.172	ZFXHDZSZGRFZDD-QIDMFYOTSA-N	00100010000000111000010000000000000000000000000000000000	22-01-171607
C1[C@H]2C1CN(C2C(=O)NCc1ccc(cc1)/C(=NO)/N)C(=O)CNS(=O)(=O)Cc1ccccc1	PC-id_163905606	485.173	QNPZMRXXAYKSNC-SCCNAQOGSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171608
CC1=CC(=C(C=C1)[C@@H](C2CC2)NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)C5=C(C=CC(=C5)S(=O)(=O)C)N)F	PC-id_147490764	485.178	FFMFUGHRSMNZIX-FNOORWRPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171609
CC(C)(C)C1=NC=CC(=C1)C(=O)N2C(CC3C2(C3)[C@H](C4COC4)C5=C(C=C(C=C5)Cl)F)C(=O)N	PC-id_154606350	485.188	WKQGELLFJCOLNT-BWRANNEPSA-N	00101010000000111000010000000000000000000000000000000000	22-01-171610
CC1=CC(=C(C=C1)C)C(=O)N2CC(C(C2)OC3=CC=CC(=C3)NS(=O)(=O)N4CC[C@H]5[C@H]4C5)OC	PC-id_151738705	485.198	RMBNPZBIGMTTMM-KMDVNRPESA-N	00100010000000110000010000000000000000000000000000000000	22-01-171611
CCC1=CC=CC=C1C(=O)N2C[C@H]([C@@H](C2)OC3=CC=CC(=C3)NS(=O)(=O)N4CC5CC5C4)OC	PC-id_152190843	485.198	VTFIUTKSQBUOBI-QYVJSNAOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171612
CC(C)[C@@H](C(=O)N1CC2C(C1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C2(C)C)NC(=O)C(F)(F)F	PC-id_164701773	485.225	QJCAWERZKXLFIJ-LTNLUVRBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171613
CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1C(=O)N[C@H](C[C@@H]3CCNC3=O)C#N)C2(C)C)NC(=O)C(F)(F)F	PC-id_164785132	485.225	QJCAWERZKXLFIJ-HXIUEJLVSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171614
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H]2[C@H]1N2COC3=C(N=CC=C3)[N+](=O)[O-])OCOCCOC)OCOCCOC)C	PC-id_161498570	485.237	UMQZCTKDMOOMJY-MZXDTFGLSA-N	00100000000010101000010000000000000000000000000000000000	22-01-171615
CC1C(C(=O)N(C1=O)C2=CC=C(C=C2)O)CC(CC(C)(C)C(=O)OCC3CO3)C4CCC5C(C4)O5	PC-id_161049631	485.241	UBYPDJQMVISIHX-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-171616
BrC1(Br)C2C1CC(C2)CCNC(=O)OC1C(CCCC1)c1ccccc1	PC-id_85235928	485.253	ATYZBDSKLIWMSX-UHFFFAOYSA-N	00100010000010110000110000000000000000000000000000000000	22-01-171617
BrC1(Br)[C@H]2[C@@H]1CC(C2)CCNC(=O)O[C@H]1[C@@H](CCCC1)c1ccccc1	PC-id_10696245	485.253	ATYZBDSKLIWMSX-DNYQBBQESA-N	00100010000010110000110000000000000000000000000000000000	22-01-171618
CC(C)(C)OC(=O)[C@H]1[C@H]2[C@@H]1[C@@](C[C@@H]2S/C(=C/N)/N)(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	PC-id_164106391	485.256	XTDQVMIDILFLGB-WTRYSQGKSA-N	00100010000010000000010000000000000000000000000000000000	22-01-171619
CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)O)NC(=O)[C@H](C1CCCCC1)NC(=O)c1nccnc1	PC-id_163955194	485.264	SCTBDHJLDVOSMG-CZKCSJLSSA-N	00100010000010100001010000000000000000000000000000000000	22-01-171620
CC(CNC(CNCCC1=CC2C(=C(C=C1)OC)O2)SC)COCCOCC(C)OCCN	PC-id_163601354	485.292	GXXQTYFDXMNJBC-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-171621
C[C@H]1CCC[C@]2(CC2C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/c1ccccn1)/C)C	PC-id_164042369	485.314	VRJFADJYHWHTDR-WMCJMEIFSA-N	00100000000000101100010000000000000000000000000000000000	22-01-171622
CCCCC(C)C1C(=CN2N1C2C(C(N)N)C(=O)NC1CNCCC1OCCCN(C)C)Cl	PC-id_163966104	485.325	SLXGRLABYAWIGC-UHFFFAOYSA-N	00100011000010000001010000000000000000000000000000000000	22-01-171623
Brc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)CNc1ccccc1C(=N)C(=O)N)C2	SCHEMBL19234255	485.334	WWHYQLNCLXEYOF-DFBGVHRSSA-N	00100010000000111000010000000000000000000000000000000000	22-01-171624
Brc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)CNc1ccncc1C(=N)C(=O)C)C2	SCHEMBL19234665	485.334	QXXAPBDCHFKXHX-WQVCFCJDSA-N	00100010000000101000010000000000000000000000000000000000	22-01-171625
Brc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2C(N1C(=O)CNc1cnccc1C(=N)C(=O)C)C2	SCHEMBL19234494	485.334	CFMIQEYKKMBBDO-TYVLWQRCSA-N	00100010000000101000010000000000000000000000000000000000	22-01-171626
Brc1cccc(n1)NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)CNc1cnccc1C(=N)C(=O)C	SCHEMBL15607603	485.334	HCKDMFHMRGNHGT-ZGLRSVDFSA-N	00100010000000101000010000000000000000000000000000000000	22-01-171627
Brc1cncc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)CNc1ccccc1C(=N)C(=O)C)C2	SCHEMBL19234264	485.334	IEINBEMUWDEWSA-WQVCFCJDSA-N	00100010000000110001010000000000000000000000000000000000	22-01-171628
CC(=O)C(=N)c1c(cncc1)NCC(=O)N1CC2CC2C1C(=O)Nc1nc(ccc1)Br	PC-id_90071517	485.334	HCKDMFHMRGNHGT-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-171629
IP(c1ccccc1)(c1ccccc1)(c1ccccc1)N1[C@@H]2[C@H]1CCCC2	LI_143991,NSC136946,PC-id_98519072,CoCoCo_5469150	485.34	XQHRMWPGGYIBNV-MAOIWGCQSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171630
IP(c1ccccc1)(c1ccccc1)(c1ccccc1)N1[C@@H]2[C@@H]1CCCC2	PC-id_98519070	485.34	XQHRMWPGGYIBNV-ZEQRLZLVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171631
IP(c1ccccc1)(c1ccccc1)(c1ccccc1)N1[C@H]2[C@H]1CCCC2	PC-id_98519074	485.34	XQHRMWPGGYIBNV-DNQXCXABSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171632
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Brc1cncc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)CNc1ccccc1C(=N)C(=O)N)C2	SCHEMBL19234670	486.322	PPPWCMHJWNDFQN-HONMWMINSA-N	00100010000000110001010000000000000000000000000000000000	22-01-171775
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CCCCC(C)C1C(=CN2[NH+]1C2C(C(N)N)C(=O)NC1CNCCC1OCCCN(C)C)Cl	PC-id_163966103	486.332	SLXGRLABYAWIGC-UHFFFAOYSA-O	00100011000010000001010000000000000000000000000000000000	22-01-171778
CC1CC2C(O2)CC1C(CC3CCC4C(C3)O4)OC(CC5CCC6C(C5)O6)C7CC8C(O8)CC7C	PC-id_162239058	486.335	ZWLMZHFAWYRCIH-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171779
Clc1ccc(c(c1)CNC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@@H](c1cccc(c1)Cl)N)C2)n1cnnn1	SCHEMBL4207332,PC-id_25154614	486.354	UGJLPMOZTRLNLG-XCXWGBRNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171780
C12(CCCCC1C2C(=O)NN=Cc1ccc(c(Br)c1)OCc1ccc(cc1)N(=O)=O)C	PC-id_91970178,MCULE-6689947686	486.358	BMNIGCHLCRTFRF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171781
CC12CCCCC1C2C(=O)N/N=C/c1ccc(OCc2ccc(cc2)[N+](=O)[O-])c(Br)c1	PC-id_75123928,EMOLS-id_49856028	486.358	BMNIGCHLCRTFRF-DHRITJCHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171782
O=C([C@H]1[C@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(c(c1)Br)OCc1ccc(cc1)[N+](=O)[O-]	PC-id_98005172	486.358	BMNIGCHLCRTFRF-ALWJSOPESA-N	00100000000010110000010000000000000000000000000000000000	22-01-171783
O=C([C@H]1[C@@H]2[C@]1(C)CCCC2)N/N=Cc1ccc(c(c1)Br)OCc1ccc(cc1)[N+](=O)[O-]	PC-id_98710558	486.358	BMNIGCHLCRTFRF-QLWDVTSISA-N	00100000000010110000010000000000000000000000000000000000	22-01-171784
OCC1O[C@@H](OC2C(O)[C@@H](O)OC([C@@H]2O[C@@H]2OC3O[C@@H]3C(C2O)O)C(=O)O)C(C([C@H]1O)O)O	PC-id_122596407,SCHEMBL18122149	486.379	QWQMFDKAXHOPJN-XUAPOFTRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171785
Brc1cnc(NCC2N(C3C(C3)C2)C(=O)c2ncsc2c2cc(OC)ccc2)nc1	PC-id_77222914	486.385	IHCDQMGOFLPHAI-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171786
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Clc1cc(OCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2C(=C)/N=C/C=CN)C)ncc1Cl	PC-id_77795425	486.394	DGHOMIJFNLUCQW-TVOMFZHASA-N	00100000000010101000010000000000000000000000000000000000	22-01-171790
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O=C(C1CCC2C1C2C(=O)OCc1ccccc1C(F)(F)F)OCc1ccccc1C(F)(F)F	PC-id_141428976	486.404	RFBJZKBGMOJACN-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-171796
O=C(C1CCC2C1C2C(=O)OCc1cccc(c1)C(F)(F)F)OCc1cccc(c1)C(F)(F)F	PC-id_141428978	486.404	HCIGHOAPYUPMOU-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-171797
O=C(C1CCC2C1C2C(=O)OCc1ccc(cc1)C(F)(F)F)OCc1ccc(cc1)C(F)(F)F	PC-id_141428984	486.404	UZJQCCIDPJTXJK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-171798
Clc1cccc(c1)C(=O)NCC1[C@H]2CC2CN1C(=O)c1nc(sc1c1cccc(c1)Cl)C	PC-id_68633952,SCHEMBL3415572	486.413	RTMBYIAAZDSZIB-AJPWXKBRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171799
Clc1cccc(c1)C(=O)NC[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)Cl)C	PC-id_66998624,SCHEMBL1339943	486.413	RTMBYIAAZDSZIB-OOFVQCGSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171800
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Clc1cc(C(=O)NCC2N(CC3C2C3)C(=O)c2nc(sc2c2cc(Cl)ccc2)C)ccc1	PC-id_74400801	486.413	RTMBYIAAZDSZIB-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171802
C(C1C(C2C(O2)C(O1)OC1C(OC(C(C1O)O)OC1C(OC(C(C1O)O)O)CO)CO)O)O	PC-id_91861026	486.422	XTFTTYOWNRJHOC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171803
O1C2C1C(OC(C2OC1OC(C(O)C(O)C1O)CO)CO)OC1C(O)C(O)C(OC1CO)O	PC-id_14603320	486.422	HMFDDLIEZGTVBG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171804
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Cc1cc(c(cc1)c1ncccn1)C(=O)N1C(CCC2C1P2)CNc1nccc(n1)C(F)(F)F	PC-id_89822852	486.429	BVRCWNJLUYCCOG-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-171806
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CNC(=O)c1nccc(c1)O/C(=C/C=C
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Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(cn1)C(F)(F)F)c1ncc(cn1)F	SCHEMBL2473480,PC-id_46219681	486.465	XOZBUDJXSHACME-VKJFTORMSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171811
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ncc(cc1F)C(F)(F)F)c1ncccn1	PC-id_46219049,SCHEMBL3390648	486.465	OGHJNMVRXNMQDB-VYDXJSESSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171812
Cc1nc(c(cc1)c1ncc(cn1)F)C(=O)N1CC2CC2CC1Cc1c(ncc(c1)C(F)(F)F)N	PC-id_91075613	486.465	NZEXLODQWNKWDT-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171813
Fc1c(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ncccn2)C)ncc(c1)C(F)(F)F	PC-id_75152478	486.465	OGHJNMVRXNMQDB-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171814
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ncc(F)cn2)C)nc1	PC-id_75152685	486.465	XOZBUDJXSHACME-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171815
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CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NCl)C(=O)NC(CC1CCC1)C(=O)C(=O)NP)C	PC-id_88270043	486.972	HJEBSZXIHIMWLS-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-171916
PNC(=O)C(=O)C(NC(=O)[C@H]1N(CC2C1C2(C)C)C(=O)[C@H](C(C)(C)C)NCl)CC1CCC1	PC-id_117757229,SCHEMBL16315592	486.972	HJEBSZXIHIMWLS-SAPPARMOSA-N	00101010000000000000010000000000000000000000000000000000	22-01-171917
PNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NCl)CC1CCC1	SCHEMBL8248669	486.972	HJEBSZXIHIMWLS-YGPWJVBQSA-N	00101010000000000000010000000000000000000000000000000000	22-01-171918
OCCC[NH+]1C(=O)N(C)C(=C(C1=O)C)/N=C(C(CC1=CCC(C=[NH+]1)Cl)C)/OC1c2c1cccc2	PC-id_144707481	486.991	JCBIMSABYMSKDI-WEMUOSSPSA-P	00100000000011100001010000000000000000000000000000000000	22-01-171919
O=C(C1CC2C(N1C(=O)O)(C2)C(CC(C)(C)C)(C)C)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL19458591	487.006	AZWUGUFRRILZGL-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-171920
O=C(C1CC2C(N1C(=O)OC(CC(C)(C)C)(C)C)C2)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL19043302	487.006	BVZFGSLRVDQZME-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-171921
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)OC(CC(C)(C)C)(C)C)C2)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL19043303	487.006	BVZFGSLRVDQZME-HVETUWLQSA-N	00100010000000110000110000000000000000000000000000000000	22-01-171922
O=C([C@H]1C[C@@H]2[C@H](N1C(=O)OC(CC(C)(C)C)(C)C)C2)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL19458595	487.006	BVZFGSLRVDQZME-NPFVIJTESA-N	00100010000000110000110000000000000000000000000000000000	22-01-171923
O=C([C@@H]1C[C@H]2[C@](N1C(=O)OC(C)(C)C)(C2)C(C)(C)C)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL19043304	487.006	CDORINYUWNCORT-UYBRRCOZSA-N	00100010000000110000110000000000000000000000000000000000	22-01-171924
O=C([C@@H]1[C@H]([C@@H]2[C@](N1C(=O)O)(C2)C(C)(C)C)C(C)(C)C)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL19458594	487.006	RDSVIJXGTZDJNU-WCSGGZKSSA-N	00100010000000110000110000000000000000000000000000000000	22-01-171925
OC(=O)N1[C@](C[C@@H]2[C@]1(C2)C(C)(C)C)(C(=O)Nc1cccc(c1F)c1ccccc1Cl)C(C)(C)C	SCHEMBL19458592	487.006	RUYOGUFNHHZDCH-GUYXYOOLSA-N	00100010000000110000110000000000000000000000000000000000	22-01-171926
CCOC(Cc1ccc(cc1)OCCNC1C2C1CN(C2)Cc1ccc(cc1)Cl)C(=O)OCC	PC-id_90739038	487.031	LSOHPFHQMMZRPX-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171927
CCO[C@@H](C(=O)OCC)Cc1ccc(cc1)OCCN[C@@H]1[C@@H]2C1CN(C2)Cc1ccc(cc1)Cl	SCHEMBL4758091	487.031	LSOHPFHQMMZRPX-ZDZKPJIOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171928
CCO[C@H](C(=O)OCC)Cc1ccc(cc1)OCCN[C@@H]1[C@@H]2C1CN(C2)Cc1ccc(cc1)Cl	SCHEMBL4758184	487.031	LSOHPFHQMMZRPX-QYIJMHBESA-N	00100010000000110000010000000000000000000000000000000000	22-01-171929
CCO[C@@H](C(=O)OCC)Cc1ccc(cc1)OCCN[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccc(cc1)Cl	SCHEMBL4758402	487.031	LSOHPFHQMMZRPX-ZJSPYRCASA-N	00100010000000110000010000000000000000000000000000000000	22-01-171930
CCS(=O)(=O)N1CCN(CC1)CCN(C(=O)Nc1ccc(c(c1)Cl)F)C1CCC2C(C1)C2	PC-id_142251146	487.031	MMVQNZZTRNAUCN-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-171931
Clc1ccc(CN2CC3[C@@H](C3NCCOc3ccc(cc3)C[C@@H](OCC)C(=O)OCC)C2)cc1	PC-id_69177132	487.031	LSOHPFHQMMZRPX-GMIDLEKQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171932
Clc1ccc(CN2CC3[C@@H](C3NCCOc3ccc(cc3)C[C@H](OCC)C(=O)OCC)C2)cc1	PC-id_69177179	487.031	LSOHPFHQMMZRPX-PPXHYYOASA-N	00100010000000110000010000000000000000000000000000000000	22-01-171933
Clc1ccc(CN2C[C@H]3[C@H](C3NCCOc3ccc(cc3)C[C@@H](OCC)C(=O)OCC)C2)cc1	PC-id_69177281	487.031	LSOHPFHQMMZRPX-SIDNZMCZSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171934
CC1(C2(C1(C(C(OC2CO[Si](C)(C)C(C)(C)C)OC)OC(=O)c1ccc(cc1)Cl)O)O)C	PC-id_91062178	487.058	YHSQUQIVXIATGK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171935
Clc1ccc(C(=O)O[C@@H]2[C@@]3(O)[C@](O)(C3(C)C)[C@H](O[C@H]2OC)CO[Si](C(C)(C)C)(C)C)cc1	PC-id_69904034,SCHEMBL6810691	487.058	YHSQUQIVXIATGK-JRYVQNIKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-171936
C1CC2CC2N([C@@H]1CCC3=NC=CC(=N3)C(F)(F)F)C(=O)C4=C(C=CC(=C4)Cl)C5=NC=CC=N5	PC-id_147120396	487.139	BOGBEGSBFVZNGT-RCDNUKIMSA-N	00100000000010110001110000000000000000000000000000000000	22-01-171937
C1C[C@H](N([C@@H]2[C@H]1C2)C(=O)C3=C(C=CC(=C3)Cl)C4=NC=CC=N4)CCC5=NC=CC(=N5)C(F)(F)F	PC-id_147120395	487.139	BOGBEGSBFVZNGT-ALKREAHSSA-N	00100000000010110001110000000000000000000000000000000000	22-01-171938
C1CC1C2=CC(=NC=C2)C(=O)N3C(CC4C3(C4)[C@H](C5COC5)C6=CC(=C(C=C6F)Cl)F)C(=O)N	PC-id_154606274	487.147	MUNZDNLPIHGODU-ZGHSFMSTSA-N	00101010000000111000110000000000000000000000000000000000	22-01-171939
CC1=C(C=C(C=C1NC(=O)C2CCN3C(C2)S3(=O)=O)Cl)C4CCN(CC4)CC5=CC=CC=C5	PC-id_153281456	487.17	PBIRNEKYEJLJBG-UHFFFAOYSA-N	00100000000010110001110000000000000000000000000000000000	22-01-171940
CC1=CC(=C(C=C1F)[C@@H](C2CC2)NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)C5=CC(=CN=C5)S(=C)(=O)C)F	PC-id_165045288	487.174	OULRTTAZTQPVOH-UWGHXDBVSA-N	00100010000000111000010000000000000000000000000000000000	22-01-171941
CC1=CC=CC=C1OC(=O)N2C[C@H]([C@@H](C2)OC3=CC=CC(=C3)NS(=O)(=O)N4CC5CC5C4)OC	PC-id_151635985	487.178	QRMWLUNVDTVCFA-VPLHRKNASA-N	00100010000000110000010000000000000000000000000000000000	22-01-171942
CC1=C(C=CC(=C1)C2=CC(=NC=C2)NC(=O)C3C4C3CC(=O)C4)CNC(=O)C5=NOC(=N5)C(C)(C)C	PC-id_164847491	487.222	XNJFCFKKISBQKV-UHFFFAOYSA-N	00100010100000111001110000000000000000000000000000000000	22-01-171943
CC(C)N=C(/C=C(/C1=CC(=C(N=C1)N)C(F)(F)F)N)C2[C@H]3[C@@H]2CC(C3)N(C)CCS(=O)(=O)C	PC-id_154971442	487.223	AAYQAECWSHOPMH-RJEVWQHFSA-N	00100010000010101000010000000000000000000000000000000000	22-01-171944
C[C@@H](c1nccn1[C@H](CN)c1noc(c1)c1ccc(cc1)C#CC1[C@H]2[C@@H]1CN(C2)CCCC(=O)C)O	PC-id_163562236	487.258	LOOGFBAEWMASFY-QXYCUVQPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171945
CCC1CC(C(=O)C(CC(CC=CC2C(O2)CC(OC1=O)C(=CC3=CSC(=N3)C)C)C)C)(C)C	PC-id_154120452	487.276	SHSIGXQRWAVDCT-UHFFFAOYSA-N	00100000100000000111010000000000000000000000000000000000	22-01-171946
CC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCC(NC1=O)(C)C)C#N)C2(C)C)C(C)(C)C	PC-id_164048423	487.316	VWIHNNVMONOCHA-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-171947
CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C[C@@H]4C(C4O3)CN)N)NC)NC)C	PC-id_147622709	487.337	GEEKTNYGZFILPZ-HQRQPICSSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171948
Clc1ccc(c(c1)CNC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@@H](c1cccc(c1)Cl)O)C2)n1cnnn1	SCHEMBL4202017,PC-id_25154412	487.339	UHGIVEHQFMCQFH-XCXWGBRNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171949
Clc1ccc(c(c1)CNC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@@H](c1cccc(c1)Cl)O)n1cnnn1	SCHEMBL4193720,PC-id_25154541	487.339	JDLQXXVESBFMHT-GALXQHASSA-N	00100010100000110001110000000000000000000000000000000000	22-01-171950
Brc1ccc(C(=O)OCC2OC(=O)C3C(C3CC2OC(=O)c2ccccc2)(C)C)cc1	PC-id_75631309	487.34	XWXJUCBAYDIXQA-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-171951
Brc1ccc(C(=O)OC[C@@H]2OC(=O)[C@@H]3C([C@@H]3C[C@H]2OC(=O)c2ccccc2)(C)C)cc1	CT-id_4026066,4026066_OpenMolecule,PC-id_51356341	487.34	XWXJUCBAYDIXQA-YSTOQKLRSA-N	00100000000000110100010000000000000000000000000000000000	22-01-171952
O=C([C@@H]1[C@@H]2[C@H]1CN(C2)COC(C)(C)C)NC(COc1cnccc1I)(C)C	SCHEMBL19724374	487.375	IGUCKYOATCZHBE-HALDLXJZSA-N	00100010000000101000010000000000000000000000000000000000	22-01-171953
FCCCCCCOc1ccc(cc1C(F)(F)F)CCC(C(C12OP1(=O)O2)(O)O)(CO)N	PC-id_140200725	487.38	DOJPXYJLVSFLNR-UHFFFAOYSA-N	00100000000000110001010000000000000000000000000000000000	22-01-171954
CC(c1c(ccc(c1Cl)F)Cl)Oc1c(ncc(c1)c1ccc(cc1)CN1CC2C(C1)C2N)N	SCHEMBL15338627,PC-id_89864915	487.397	OYKZUDSWPWLYON-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-171955
CC(C)(C)C(C(=O)N1CC2C(C1C(=O)NC(CC=C)C(=O)C(=O)NCCC=C)C2(Cl)Cl)N	PC-id_89149506	487.42	UZXVSEPXJSLTKQ-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171956
C=CCCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@@H]2[C@H]1C2(Cl)Cl)C(=O)[C@H](C(C)(C)C)N)CC=C	SCHEMBL13693666	487.42	UZXVSEPXJSLTKQ-CRTWOITFSA-N	00100010000000000000010000000000000000000000000000000000	22-01-171957
N#Cc1cccc(c1)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC(c1ccc(cc1F)C(F)(F)F)C1COC1	SCHEMBL20817833,PC-id_138471592	487.446	ACUONQUROCVFRO-XBMOVTLVSA-N	00101010000000110000010000000000000000000000000000000000	22-01-171958
N#Cc1cccc(c1)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@@H](c1ccc(cc1F)C(F)(F)F)C1COC1	PC-id_138466994,SCHEMBL20812082	487.446	ACUONQUROCVFRO-FPHUIIFBSA-N	00101010000000110000010000000000000000000000000000000000	22-01-171959
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COc1ncc(cc1F)C(F)(F)F)c1ncccn1	SCHEMBL610653,PC-id_49800250	487.449	XVRYOVJJSDIKOH-VYDXJSESSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171960
CN(c1nc(cc(=O)n1C)c1ccncc1F)C1[C@@H]2[C@H]1CN(C2)C(=O)c1cccc(c1)C(F)(F)F	PC-id_59576842,SCHEMBL2488677	487.449	DXHWPRGUVGDAHC-QRTHJKPMSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171961
CC(CCC1OC1(C)C)(CCOC(C1CCC2(C(C1)O2)C)(CCC1OC1(C)C)C)Br	PC-id_143374690	487.511	STGDUHSTZGAPFY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-171980
CN(c1nc(cc(=O)n1C)c1ccncc1F)C1[C@@H]2[C@H]1CN(C2)C(=O)c1ccc(cc1)C(F)(F)F	SCHEMBL2489598,PC-id_59576821	487.449	KUFDZLAUMLSDRI-QRTHJKPMSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171962
CN(c1nc(cc(=O)n1C)c1ccncc1F)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1cccc(c1)C(F)(F)F	SCHEMBL2488672	487.449	DXHWPRGUVGDAHC-LFUKPOHLSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171963
CN(c1nc(cc(=O)n1C)c1ccncc1F)[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)c1cccc(c1)C(F)(F)F	SCHEMBL2488674	487.449	DXHWPRGUVGDAHC-UPHUGPLXSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171964
CN(c1nc(cc(=O)n1C)c1ccncc1F)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1ccc(cc1)C(F)(F)F	SCHEMBL2489593	487.449	KUFDZLAUMLSDRI-LFUKPOHLSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171965
CN(c1nc(cc(=O)n1C)c1ccncc1F)[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)c1ccc(cc1)C(F)(F)F	SCHEMBL2489596	487.449	KUFDZLAUMLSDRI-UPHUGPLXSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171966
Fc1c(c2nc(N(C3C4C3CN(C4)C(=O)c3ccc(cc3)C(F)(F)F)C)n(c(=O)c2)C)ccnc1	PC-id_72330921	487.449	KUFDZLAUMLSDRI-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171967
Fc1c(OCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2c2ncccn2)C)ncc(c1)C(F)(F)F	PC-id_75281754	487.449	XVRYOVJJSDIKOH-UHFFFAOYSA-N	00100000000010101001110000000000000000000000000000000000	22-01-171968
FC(F)(F)c1cc(C(=O)N2CC3C(C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)ccc1	PC-id_72330934	487.449	DXHWPRGUVGDAHC-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171969
FC(F)(F)c1c(C(=O)N2CC3C(C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)cccc1	PC-id_72331032	487.449	NETUTNHKKNOTPR-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171970
FC(F)(F)c1c(C(=O)N2C[C@@H]3[C@@H](C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)cccc1	PC-id_59576998,SCHEMBL2489782	487.449	NETUTNHKKNOTPR-GWTOYCKXSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171971
O=C(c1ccccc1C(F)(F)F)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2489778	487.449	NETUTNHKKNOTPR-JIPZTSHUSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171972
O=C(c1ccccc1C(F)(F)F)N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2489780	487.449	NETUTNHKKNOTPR-VPTLXERWSA-N	00100010000000111001110000000000000000000000000000000000	22-01-171973
ClC1(Cl)C2C1CN(C2C(=O)CC(CC1CCC1)C(O)C(=O)N)C(=O)C(C1CCCCC1)C	PC-id_76749238	487.46	HDMALPYYRZEGAS-UHFFFAOYSA-N	00101010000010000000010000000000000000000000000000000000	22-01-171974
ClC1(Cl)[C@H]2[C@@H]1CN([C@@H]2C(=O)CC(CC1CCC1)C(O)C(=O)N)C(=O)[C@H](C1CCCCC1)C	PC-id_58262962	487.46	HDMALPYYRZEGAS-DXEACBESSA-N	00101010000010000000010000000000000000000000000000000000	22-01-171975
C#CCN=C1/C(=C/CC2[C@H]3[C@@H]2CN(C3)Cc2c(cc(cc2)C(F)(F)F)C(F)(F)F)/SC(=O)N1	PC-id_136626300	487.461	YZMSPSVONXHMAG-VXEPSOBJSA-N	00100010000000110001010000000000000000000000000000000000	22-01-171976
C#CCNC1=NC(=O)SC1=CCC1C2C1CN(C2)Cc1c(cc(cc1)C(F)(F)F)C(F)(F)F	PC-id_89440842	487.461	YZMSPSVONXHMAG-UHFFFAOYSA-N	00100011000000110001010000000000000000000000000000000000	22-01-171977
C#CCNC1=NC(=O)S/C/1=CC[C@@H]1[C@H]2[C@@H]1CN(C2)Cc1ccc(cc1C(F)(F)F)C(F)(F)F	SCHEMBL14780343	487.461	YZMSPSVONXHMAG-DIRRAJAASA-N	00100011000000110001010000000000000000000000000000000000	22-01-171978
C=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NCC1CCC(CC1)NCC=NC(=O)C1C2C1C2	PC-id_143903091	487.481	NOPGUENIFVNKOI-UHFFFAOYSA-N	00101000000010110000010000000000000000000000000000000000	22-01-171979
CCOC(=O)[C@@H](Cc1ccc(cc1)OCCN[C@@H]1[C@@H]2C1CN(C2)Cc1cc(F)c(cc1F)F)C#N	SCHEMBL4756279	487.514	CURWTBWSYQLCRT-LMIZIWJSSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171981
Fc1c(CN2CC3C(C3NCCOc3ccc(cc3)CC(C(=O)OCC)C#N)C2)cc(F)c(F)c1	PC-id_74325077	487.514	CURWTBWSYQLCRT-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171982
Fc1c(CN2CC3[C@@H](C3NCCOc3ccc(cc3)C[C@H](C(=O)OCC)C#N)C2)cc(F)c(F)c1	PC-id_69176385	487.514	CURWTBWSYQLCRT-DSYJBZLVSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171983
Fc1c(CN2C[C@@H]3[C@@H](C3NCCOc3ccc(cc3)CC(C(=O)OCC)C#N)C2)cc(F)c(F)c1	PC-id_24821469	487.514	CURWTBWSYQLCRT-YXWDIJIYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-171984
FC(F)(F)Oc1cc(C(=O)NCC2C3C2CN(C3)CC(=O)N2CC(CC2)c2ccccc2)ccc1	PC-id_66775070,SCHEMBL708591	487.514	PGANLPPGJUCGRO-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-171985
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1cccn1C	PC-id_141624511	487.517	DQLUYTRFZQCSKU-UHFFFAOYSA-N	00100010110000110001010000000000000000000000000000000000	22-01-171986
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Clc1cc([C@@H](O[C@H]2[C@](N=[N+]=[N-])([C@H]3[C@H]([C@]3(F)C(=O)OCC)C2)C(=O)OCC)CC)ccc1Cl	PC-id_11156022	488.337	BSAHLXSNRCAVOI-SUJWPXHHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-172124
Clc1cc([C@H](O[C@H]2[C@](N=[N+]=[N-])([C@H]3[C@H]([C@]3(F)C(=O)OCC)C2)C(=O)OCC)CC)ccc1Cl	PC-id_11443175	488.337	BSAHLXSNRCAVOI-KZFUQQSRSA-N	00100010000010110000010000000000000000000000000000000000	22-01-172125
Clc1cc(C(OC2C(N=[N+]=[N-])(C3C(C3(F)C(=O)OCC)C2)C(=O)OCC)CC)ccc1Cl	PC-id_72963357	488.337	BSAHLXSNRCAVOI-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-172126
Brc1cccc(n1)NC([C@@H]1C[C@@H]2[C@H](N1C(=O)CNc1ccncc1C(=N)C(=O)N)C2)O	PC-id_145690149	488.338	VKIGMHGSYLYSCW-WZJBAALYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-172127
Clc1cc(Cl)cc(c1)C(=O)N1CC2C(C1)C2CNc1nc(cc(=O)n1C)c1ccncc1F	PC-id_140556814	488.342	CJDUEXKVJUYTGY-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-172128
Clc1cc(Cl)cc(c1)C(=O)N1C[C@@H]2[C@H](C1)C2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2488590,PC-id_59576815	488.342	AXQZAMOVRAQFRO-QRTHJKPMSA-N	00100010000000111001110000000000000000000000000000000000	22-01-172129
Clc1cc(Cl)cc(c1)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2488586	488.342	AXQZAMOVRAQFRO-LFUKPOHLSA-N	00100010000000111001110000000000000000000000000000000000	22-01-172130
Clc1cc(Cl)cc(c1)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2N(c1nc(cc(=O)n1C)c1ccncc1F)C	SCHEMBL2488589	488.342	AXQZAMOVRAQFRO-UPHUGPLXSA-N	00100010000000111001110000000000000000000000000000000000	22-01-172131
Clc1cc(C(=O)N2CC3C(C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)cc(Cl)c1	PC-id_72330919	488.342	AXQZAMOVRAQFRO-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-172132
Clc1c(C(=O)N2CC3C(C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)c(Cl)ccc1	PC-id_72331004	488.342	VSDSSSDAJDJCOT-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-172133
Clc1c(C(=O)N2C[C@@H]3[C@@H](C3N(C)c3n(c(=O)cc(n3)c3c(F)cncc3)C)C2)c(Cl)ccc1	PC-id_59576959,SCHEMBL2488548	488.342	VSDSSSDAJDJCOT-UDQVXKKJSA-N	00100010000000111001110000000000000000000000000000000000	22-01-172134
CN(c1nc(cc(=O)n1C)c1ccncc1F)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1c(Cl)cccc1Cl	SCHEMBL2488544	488.342	VSDSSSDAJDJCOT-JORQVXCQSA-N	00100010000000111001110000000000000000000000000000000000	22-01-172135
CN(c1nc(cc(=O)n1C)c1ccncc1F)[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)c1c(Cl)cccc1Cl	SCHEMBL2488546	488.342	VSDSSSDAJDJCOT-GFENJXEQSA-N	00100010000000111001110000000000000000000000000000000000	22-01-172136
Fc1cnccc1c1cc(=O)n(c(n1)NCC1C2C1CN(C2)C(=O)c1c(Cl)cccc1Cl)C	PC-id_140556799	488.342	KLQAXMSNHOCCFD-UHFFFAOYSA-N	00100010000000111001110000000000000000000000000000000000	22-01-172137
C(/C=C/C=C/1[C@@](C/C=CCCCCC)([C@H]2[C@@](I)(C1=O)O2)O)CCC(=O)OC	CMNPD13611	488.356	AFZWGMJEHIFGOP-GZYQGBKASA-N	00100010000000000000010000000000000000000000000000000000	22-01-172138
CCCCC/C=CC[C@]1(O)/C(=C/C=C/CCCC(=O)OC)/C(=O)[C@]2([C@H]1O2)I	PC-id_101110150	488.356	AFZWGMJEHIFGOP-LYLOUQBQSA-N	00100010000000000000010000000000000000000000000000000000	22-01-172139
CCCCC/C=CC[C@]1(O)/C(=C/C=CCCCC(=O)OC)/C(=O)[C@]2([C@H]1O2)I	PC-id_101110151	488.356	AFZWGMJEHIFGOP-IDBUDUQSSA-N	00100010000000000000010000000000000000000000000000000000	22-01-172140
CCCCC/C=CC[C@]1(O)/C(=C/C=C/CCCC(=O)OC)/C(=O)[C@@]2([C@H]1O2)I	PC-id_101271558	488.356	AFZWGMJEHIFGOP-FOKNWUONSA-N	00100010000000000000010000000000000000000000000000000000	22-01-172141
CCCCC/C=CC[C@]1(O)/C(=C/C=CCCCC(=O)OC)/C(=O)[C@@]2([C@H]1O2)I	PC-id_101271559	488.356	AFZWGMJEHIFGOP-WBLNQZSWSA-N	00100010000000000000010000000000000000000000000000000000	22-01-172142
C(=CCCCC(=O)OC)C=C
/[C@@](C/C=CCCCCC)([C@H]2[C@@](I)(C1=O)O2)O	CMNPD13614	488.356	AFZWGMJEHIFGOP-ZKVKOFCJSA-N	00100010000000000000010000000000000000000000000000000000	22-01-172143
I[C@]12O[C@H]1[C@@](O)(C(=CC=CCCCC(=O)OC)C2=O)CC=CCCCCC	PC-id_11225545	488.356	AFZWGMJEHIFGOP-PCCBWWKXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-172144
O=C(OC)CCCC=C/C=C
/C(=O)C2(I)OC2C1(O)C/C=C/CCCCC	PC-id_21777349,CNP0427012	488.356	AFZWGMJEHIFGOP-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-172145
Brc1cnc(nc1)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)F)C)C2	SCHEMBL1572572,PC-id_67081619	488.376	YVUMVESXFKDGOD-COXVUDFISA-N	00100010100000110001110000000000000000000000000000000000	22-01-172146
Brc1cnc(nc1)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)F)C	PC-id_68632542,SCHEMBL3412027	488.376	ABFLQMIRXOFHFI-RRQGHBQHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172147
Brc1cnc(NCC2N(C3C(C3)C2)C(=O)c2nc(sc2c2ccc(F)cc2)C)nc1	PC-id_77223031	488.376	ATLKLCNDSYYHCM-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172148
Brc1cnc(NCC2N(C3C(C3)C2)C(=O)c2nc(sc2c2cc(F)ccc2)C)nc1	PC-id_77223066	488.376	YVUMVESXFKDGOD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172149
Brc1cnc(NCC2N(CC3C2C3)C(=O)c2nc(sc2c2ccc(F)cc2)C)nc1	PC-id_77530752	488.376	YJYIZZZQRBEBDN-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172150
Brc1cnc(NCC2N(CC3C2C3)C(=O)c2nc(sc2c2cc(F)ccc2)C)nc1	PC-id_77530630	488.376	ABFLQMIRXOFHFI-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172151
Brc1cnc(NC[C@H]2N(C[C@H]3[C@@H]2C3)C(=O)c2nc(sc2c2ccc(F)cc2)C)nc1	SCHEMBL3413895,PC-id_68633315	488.376	YJYIZZZQRBEBDN-RRQGHBQHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172152
Brc1cnc(NC[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)c2nc(sc2c2ccc(F)cc2)C)nc1	SCHEMBL1572421,PC-id_67081542	488.376	ATLKLCNDSYYHCM-COXVUDFISA-N	00100010100000110001110000000000000000000000000000000000	22-01-172153
Brc1ccc(cc1)CN1CC2C(C1)C2CNC(=O)c1ccc(c(c1)F)N1CCOCC1	PC-id_69036375,SCHEMBL4419281	488.392	IBCCJVQTZHHPGE-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-172154
Brc1ccc(C#CCN(S(=O)(=O)c2ccc(cc2)C)CC23C(C2)C(O)CCC3)cc1	PC-id_78093728	488.437	LIUOJTANAIDIMK-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-172155
Brc1ccc(C#CCN(S(=O)(=O)c2ccc(cc2)C)C[C@]23[C@H](C2)[C@H](O)CCC3)cc1	PC-id_71514120	488.437	LIUOJTANAIDIMK-WXFUMESZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-172156
C(C1C(C2C(O2)C(O1)OC1C(OC(C(C1O)O)OC(C(CO)O)C(C(CO)O)O)CO)O)O	PC-id_91852215	488.438	NLRGZAUOTZWAMO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-172157
C(C1C(C(C(C(O1)OC1C(OC(C2C1O2)OC(C(CO)O)C(C(CO)O)O)CO)O)O)O)O	PC-id_91849769	488.438	UIXYEERNRHWYIT-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-172158
CN(c1nc(cc(=O)n1C)c1ccncc1F)C1[C@@H]2[C@H]1CN(C2)C(=O)c1ccc(nc1)C(F)(F)F	SCHEMBL2491231,PC-id_59576790	488.438	UFCRWGMUJRXTKG-DBIVSCPCSA-N	00100010000000101001110000000000000000000000000000000000	22-01-172159
CN(c1nc(cc(=O)n1C)c1ccncc1F)[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)c1ccc(nc1)C(F)(F)F	SCHEMBL2491227	488.438	UFCRWGMUJRXTKG-QVDMIQRCSA-N	00100010000000101001110000000000000000000000000000000000	22-01-172160
CN(c1nc(cc(=O)n1C)c1ccncc1F)[C@@H]1[C@H]2[C@@H]1CN(C2)C(=O)c1ccc(nc1)C(F)(F)F	SCHEMBL2491228	488.438	UFCRWGMUJRXTKG-YVWYUNDQSA-N	00100010000000101001110000000000000000000000000000000000	22-01-172161
Fc1c(c2nc(N(C3C4C3CN(C4)C(=O)c3ccc(nc3)C(F)(F)F)C)n(c(=O)c2)C)ccnc1	PC-id_72330905	488.438	UFCRWGMUJRXTKG-UHFFFAOYSA-N	00100010000000101001110000000000000000000000000000000000	22-01-172162
OCC(C(O)C)OC(C(O)O)OC1C(CO)OC(C(C1O)O)OC1C(CO)OC2C(C1O)O2	PC-id_139457000,SCHEMBL21321485	488.438	UNBQYCMUTSJBLP-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-172163
Clc1ccc(cc1)OCC(=O)N[C@@H]1C[C@@H](C2C1C2)CCC1CCC(C1)Oc1ccc(cc1)Cl	PC-id_142490394	488.446	VQCHCOIHNOXTKE-FTWBQSNFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-172164
Fc1c(OCC2C3C2CN(C3)Cc2oc([N+](=O)[O-])cc2)ccc(N2CC(OC2=O)CNC(=O)C)c1	PC-id_85148452	488.466	BWDJSLZPGQJPAJ-UHFFFAOYSA-N	00100010101000110001110000000000000000000000000000000000	22-01-172165
Fc1c(OCC2[C@@H]3[C@H]2CN(C3)Cc2oc([N+](=O)[O-])cc2)ccc(N2C[C@@H](OC2=O)CNC(=O)C)c1	PC-id_10458198	488.466	BWDJSLZPGQJPAJ-HTUJPFKRSA-N	00100010101000110001110000000000000000000000000000000000	22-01-172166
COc1ccc(c(c1F)C)NC(=NCc1cc(F)c(c(c1)F)F)NC(=O)C1=C2C[C@@H]2N(C=C1C)C	PC-id_145412386	488.477	WRMIQLFYJZRURV-IBGZPJMESA-N	00100000000011110000010000000000000000000000000000000000	22-01-172167
CC(=O)OCC1O[C@@H](O[C@@H]2C(C)CO[C@@H]([C@H]3C2O3)C)[C@H](C([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C	PC-id_122533076,SCHEMBL18068234	488.482	MPENERWLDDWPIP-OZKUTIJRSA-N	00100000000010000100010000000000000000000000000000000000	22-01-172168
O1C2(C(OC(=O)c3ccccc3)(C2)CC(OC(=O)c2ccccc2)C1O)COC(=O)c1ccccc1	PC-id_68382248,SCHEMBL12808025	488.485	FEQZIUVJXCMWBO-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-172169
CCCCCC=CC(C(=O)NC[C@@]12C[C@H](N[C@@H]1C2)C(=O)Nc1c(ccc(n1)C(F)(F)F)C)(F)F	PC-id_135318081,SCHEMBL20488308	488.494	VRIOKILVVWXBCP-XPIZARPCSA-N	00100010000000101000010000000000000000000000000000000000	22-01-172170
CCCCC/C=C/C(C(=O)NC[C@@]12C[C@H](N[C@@H]1C2)C(=O)Nc1c(ccc(n1)C(F)(F)F)C)(F)F	PC-id_135318474	488.494	VRIOKILVVWXBCP-DYUBAHGZSA-N	00100010000000101000010000000000000000000000000000000000	22-01-172171
Fc1c(C[C@@H](NC(=O)C(N)Cc2ccccc2)CC(=O)N2C3C(C3)CC2C(=O)N)cc(F)c(F)c1	PC-id_56655061	488.502	JSOBBDVSNFGLHW-RZZNSGPUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-172172
Fc1c(CC(NC(=O)C(N)Cc2ccccc2)CC(=O)N2C3C(C3)CC2C(=O)N)cc(F)c(F)c1	PC-id_76388319	488.502	JSOBBDVSNFGLHW-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-172173
FC(F)(F)Oc1cc(C(=O)NCC2C3C2CN(C3)CC(=O)N2C(CCC2)c2ccncc2)ccc1	SCHEMBL709987,PC-id_66775544	488.502	BVSKQPIWVPRIIE-UHFFFAOYSA-N	00100010000000111000110000000000000000000000000000000000	22-01-172174
O=C(N1CC2C(C1)(C2)COc1cccnc1C(=O)Nc1ccccn1)C1CCC(CC1)C(F)(F)F	SCHEMBL16107308,PC-id_117599306	488.502	VXERNQOVEGTIOS-UHFFFAOYSA-N	00100010000010101000010000000000000000000000000000000000	22-01-172175
O=C(N1CC2C(C1)(C2)COc1cccnc1C(=O)Nc1ccccn1)[C@@H]1CC[C@H](CC1)C(F)(F)F	SCHEMBL16107307	488.502	VXERNQOVEGTIOS-OESDFDSJSA-N	00100010000010101000010000000000000000000000000000000000	22-01-172176
Cc1nc(c(cc1)c1nc(co1)C)C(=O)N1CC2CC2CC1CNC(=C)N=CC(=CN)C(F)(F)F	PC-id_88219014	488.505	CZQVJAHFSJSCNV-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-172177
Cc1nc(c(cc1)c1ncc(o1)C)C(=O)N1CC2CC2CC1CNC(=C)N=CC(=CN)C(F)(F)F	PC-id_88219854	488.505	IRJDROWKOBNHSU-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-172178
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)C(c1c[nH]nc1)C	SCHEMBL6104431,PC-id_69665750	488.505	YCIUOXSLZZFPKR-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-172179
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1cnn(c1)C	PC-id_141624520	488.505	SPZPSSFXWANYQS-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-172180
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)C(c1ncc[nH]1)C	PC-id_69665966,SCHEMBL6105077	488.505	UAWMDMRVYUHRGI-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-172181
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1[nH]cnc1C	SCHEMBL6103508,PC-id_69665301	488.505	ZHCKMLMHMZIOHT-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-172182
FC(F)(F)/C(=C/N)/C=NC(=C)NCC1N(CC2C(C2)C1)C(=O)c1nc(ccc1c1oc(cn1)C)C	PC-id_70226308	488.505	IRJDROWKOBNHSU-BAPYKMAASA-N	00100000100010101001110000000000000000000000000000000000	22-01-172183
FC(F)(F)/C(=C/N)/C=NC(=C)NC[C@H]1N(C[C@H]2[C@H](C2)C1)C(=O)c1nc(ccc1c1occ(n1)C)C	PC-id_70224360	488.505	CZQVJAHFSJSCNV-QQXMYGBCSA-N	00100000100010101001110000000000000000000000000000000000	22-01-172184
FC(F)(F)Oc1cc(CN(CC2C3C2CN(C3)Cc2n(ccn2)C)C(=O)c2ncn(c2)C)ccc1	PC-id_11949894	488.505	YWLWRGRCSNSAPD-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-172185
N/C=C(/C(F)(F)F)C=N/C(=C)NCC1CC2CC2CN1C(=O)c1nc(C)ccc1c1ncc(o1)C	SCHEMBL7909526	488.505	IRJDROWKOBNHSU-CJQMTNEOSA-N	00100000100010101001110000000000000000000000000000000000	22-01-172186
N/C=C(/C(F)(F)F)C=N/C(=C)NC[C@@H]1C[C@H]2C[C@H]2CN1C(=O)c1nc(C)ccc1c1occ(n1)C	SCHEMBL7903241	488.505	CZQVJAHFSJSCNV-YFUYSDBFSA-N	00100000100010101001110000000000000000000000000000000000	22-01-172187
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COc1ccc(cn1)C(F)(F)F)c1scc(n1)C	SCHEMBL610803,PC-id_49801385	488.525	KGILQWGMNCZZGG-RYRKJORJSA-N	00100000100010101001110000000000000000000000000000000000	22-01-172188
s1c(nc(c1)C)c1c(nc(cc1)C)C(=O)N1CC2C(C2)CC1COc1ncc(cc1)C(F)(F)F	PC-id_75282118	488.525	KGILQWGMNCZZGG-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-172189
CC1C=C2C(O2)OC1Oc1c(cc(cc1)C(C(CO)Oc1c(cc(cc1)CCCO)OC)O)OC	PC-id_88566643,SCHEMBL10098438	488.527	LEBKQIJZXXSOJW-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-172190
OCC1O[C@]2(OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)O)C)C)/C)/C)OC2C(C1O)O	PC-id_138549311	488.527	NYRAFCVGXHNUPB-ZAWMZZHZSA-N	00100000000010000000010000000000000000000000000000000000	22-01-172191
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)N)CCC(F)(F)F	SCHEMBL8254415,PC-id_70321097	488.544	RMRGCUPDWGAKOG-YGPWJVBQSA-N	00100010000000000000010000000000000000000000000000000000	22-01-172192
FC(F)(F)CCC(NC(=O)C1N(CC2C1C2(C)C)C(=O)C(N)C(C)(C)C)C(=O)C(=O)NCC=C	PC-id_77822090	488.544	RMRGCUPDWGAKOG-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-172193
CC[C@]12C[C@@H]2[C@H]([C@H]([C@@H]1OC(=O)c1ccc(cc1)[N+](=O)[O-])F)N(Cc1ccccc1)Cc1ccccc1	SCHEMBL18884108	488.55	OPBVCMSWRDXUEG-QLTWPUIQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-172194
COc1ccc(c(c1)C(=O)NCC1C2CC2CN1C(=O)c1ccc(cc1c1cccc(c1)F)C)OC	PC-id_68443894,SCHEMBL2927074	488.55	FTFBTKKNQUWRIG-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-172195
COc1ccc(c(c1)C(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1ccc(cc1c1cccc(c1)F)C)OC	PC-id_68443899,SCHEMBL2927080	488.55	FTFBTKKNQUWRIG-GNYGTAMVSA-N	00100010000000110000110000000000000000000000000000000000	22-01-172196
COc1ccc(c(c1)C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(cc1c1cccc(c1)F)C)OC	PC-id_68443895,SCHEMBL2927076	488.55	FTFBTKKNQUWRIG-GJQIQAERSA-N	00100010000000110000110000000000000000000000000000000000	22-01-172197
COc1cc(OC)cc(c1)C(=O)NCC1C2CC2CN1C(=O)c1ccc(cc1c1cccc(c1)F)C	SCHEMBL2930532,PC-id_68445197	488.55	VUSPTXPCUDONPN-UHFFFAOYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-172198
COc1cc(OC)cc(c1)C(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1ccc(cc1c1cccc(c1)F)C	SCHEMBL2930536,PC-id_68445201	488.55	VUSPTXPCUDONPN-JBUCIZAMSA-N	00100010000000110000110000000000000000000000000000000000	22-01-172199
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CC/C=CC(=NC)OCC(=O)N(C(c1ccccc1C)C(=O)NC1CC2C(C1)C2)c1cccc(c1)F	PC-id_144316540	491.597	OGIDKHLSJXLYMH-CLCLYGSOSA-N	00100010000010110000010000000000000000000000000000000000	22-01-172691
CCC1C(C2C(C2(C1(C(=O)O)NC(=O)OC(C)(C)C)CC)C(=O)O)NC(=S)Nc1ccccc1	PC-id_88042628,SCHEMBL6794379	491.6	UIWFBKBZNXNXMH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-172692
CCC1(C(C2C(C2C1(C(=O)O)NC(=O)OC(C)(C)C)C(=O)O)NC(=S)Nc1ccccc1)CC	PC-id_91289302	491.6	RVMFKVDHHMAFHE-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-172693
CCOC(=O)C1C2C1C(CC2NC(=S)Nc1ccccc1)(C(=O)OCC)NC(=O)OC(C)(C)C	SCHEMBL6794383,PC-id_88042629	491.6	QKBRNHHGOKHXNG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-172694
C=N/C=C(/CSc1cc(=O)n(c(=O)n1CC12C=CC(=CC1C2)OC)Cc1ccc(cc1)OC)C=C	PC-id_143502409	491.602	JGKROYUITKSRTP-XDJHFCHBSA-N	00100000000011110001010000000000000000000000000000000000	22-01-172695
COc1ccc(c(c1)C(=O)NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C)OC	PC-id_68445903,SCHEMBL2932099	491.602	FXYZCEANFHCJLY-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172696
COc1ccc(c(c1)C(=O)NC[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C)OC	PC-id_66999046,SCHEMBL1341575	491.602	FXYZCEANFHCJLY-VRTQEHCBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172697
COc1ccc(c(c1)C(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C)OC	PC-id_68445906,SCHEMBL2932105	491.602	FXYZCEANFHCJLY-HCNFZCTASA-N	00100010100000110001110000000000000000000000000000000000	22-01-172698
COc1ccc(c(c1)C(=O)NC[C@@H]1C[C@@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2)OC	PC-id_67081062,SCHEMBL1571586	491.602	WQNHVZQMYMZKDE-IPJJNNNSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172699
COc1ccc(c(c1)C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2)OC	SCHEMBL1571585,PC-id_67081061	491.602	WQNHVZQMYMZKDE-DXIQSLLYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172700
COc1ccc(c(c1)C(=O)NC[C@@H]1C[C@H]2C(N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2)OC	PC-id_67081063,SCHEMBL1571588	491.602	WQNHVZQMYMZKDE-DKPCLATOSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172701
COc1ccc(c(c1)C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C)OC	PC-id_24816363,SCHEMBL2930917	491.602	FXYZCEANFHCJLY-SYYKKAFVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172702
COc1ccc(c(c1)C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C)OC	SCHEMBL1341572,PC-id_66999045	491.602	FXYZCEANFHCJLY-RCZSKKKRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172703
COc1cccc(c1)OCC(=O)NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68443062,SCHEMBL2925032	491.602	YZABMMLIYDWIPZ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172704
COc1ccccc1OCC(=O)NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68445436,SCHEMBL2931065	491.602	PUBFSZFHPRXYDY-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172705
COc1ccc(cc1OC)C(=O)NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2927974,PC-id_68444197	491.602	DOBRTJNCTFAZFF-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172706
COc1ccc(c(c1)OC)C(=O)NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2933366,PC-id_68446521	491.602	FHGWYDHYRZLCMD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172707
COc1ccc(cc1OC)C(=O)NCC1CC2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081489,SCHEMBL1572324	491.602	VUEXVCZNRXROHM-CBNMVNINSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172708
COc1cccc(c1)OCC(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68443064,SCHEMBL2925036	491.602	YZABMMLIYDWIPZ-QQHBYLCDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172709
COc1ccc(cc1OC)C(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68444200,SCHEMBL2927978	491.602	DOBRTJNCTFAZFF-GIBKCMNESA-N	00100010100000110001110000000000000000000000000000000000	22-01-172710
COc1ccccc1OCC(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68445438,SCHEMBL2931069	491.602	PUBFSZFHPRXYDY-GIBKCMNESA-N	00100010100000110001110000000000000000000000000000000000	22-01-172711
COc1ccc(c(c1)OC)C(=O)NC[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL1339681,PC-id_66998528	491.602	FHGWYDHYRZLCMD-IDTFUIECSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172712
COc1ccc(c(c1)OC)C(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2933367,PC-id_68446522	491.602	FHGWYDHYRZLCMD-MCGPBEARSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172713
COc1ccc(c(c1)OC)C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081124,SCHEMBL1571692	491.602	SEOSLVZDBJWGAD-DXIQSLLYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172714
COc1ccc(cc1OC)C(=O)NC[C@@H]1C[C@@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081637,SCHEMBL1572615	491.602	VUEXVCZNRXROHM-ACRUOGEOSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172715
COc1ccc(c(c1)OC)C(=O)NC[C@@H]1C[C@@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1571696,PC-id_67081128	491.602	SEOSLVZDBJWGAD-IPJJNNNSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172716
COc1ccc(cc1OC)C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1572464,PC-id_67081565	491.602	VUEXVCZNRXROHM-HKBOAZHASA-N	00100010100000110001110000000000000000000000000000000000	22-01-172717
COc1ccc(cc1OC)C(=O)NC[C@@H]1C[C@H]2C(N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081638,SCHEMBL1572616	491.602	VUEXVCZNRXROHM-PDYHCXRVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172718
COc1ccc(c(c1)OC)C(=O)NC[C@@H]1C[C@H]2C(N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1571698,PC-id_67081129	491.602	SEOSLVZDBJWGAD-DKPCLATOSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172719
COc1ccc(c(c1)OC)C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL1339679,PC-id_66998526	491.602	FHGWYDHYRZLCMD-YUXAGFNASA-N	00100010100000110001110000000000000000000000000000000000	22-01-172720
COc1cccc(c1)OCC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2925034,PC-id_57489380	491.602	YZABMMLIYDWIPZ-UEVCKROQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172721
COc1ccc(cc1OC)C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2927975,PC-id_68444198	491.602	DOBRTJNCTFAZFF-NJDAHSKKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172722
COc1ccc(c(c1)OC)C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2930524,PC-id_24815861	491.602	FHGWYDHYRZLCMD-STZQEDGTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172723
COc1ccccc1OCC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2931066,PC-id_57489379	491.602	PUBFSZFHPRXYDY-NJDAHSKKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172724
CCCCC1(CCCC1)OC(=O)C(C)(C23NI2N3)I	PC-id_154469709	491.977	COMHOSQSSHTVDI-UHFFFAOYSA-N	00100010000000000001010000000000000000000000000000000000	22-01-172860
COc1cc(OC)cc(c1)C(=O)NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68445632,SCHEMBL2931500	491.602	YASYZISYAPAIBW-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172725
COc1cc(OC)cc(c1)C(=O)NCC1[C@H]2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL3411049,PC-id_68632165	491.602	YASYZISYAPAIBW-UTCTYZAISA-N	00100010100000110001110000000000000000000000000000000000	22-01-172726
COc1cc(OC)cc(c1)C(=O)NC[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_66998832,SCHEMBL1340563	491.602	YASYZISYAPAIBW-IQWVOLIVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172727
COc1cc(OC)cc(c1)C(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2931501,PC-id_68445633	491.602	YASYZISYAPAIBW-QQHBYLCDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172728
COc1cc(OC)cc(c1)C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL1340559,PC-id_25183000	491.602	YASYZISYAPAIBW-AJSBUHFISA-N	00100010100000110001110000000000000000000000000000000000	22-01-172729
COc1cc(OC)cc(c1)C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2929530,PC-id_24815765	491.602	YASYZISYAPAIBW-UEVCKROQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172730
COc1c(OC)cccc1C(=O)NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68445142,SCHEMBL2930394	491.602	DKKBLJKJQFTWCY-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172731
COc1c(OC)cccc1C(=O)NCC1[C@H]2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL3412989,PC-id_68632958	491.602	DKKBLJKJQFTWCY-CKHPTIKVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172732
COc1c(OC)cccc1C(=O)NC[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL1340337,PC-id_66998765	491.602	DKKBLJKJQFTWCY-MNBHBKLXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172733
COc1c(OC)cccc1C(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2930399,PC-id_68445145	491.602	DKKBLJKJQFTWCY-TXZDUHFLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172734
COc1c(OC)cccc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_66998764,SCHEMBL1340336	491.602	DKKBLJKJQFTWCY-SESVDKBCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172735
COc1c(OC)cccc1C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68445143,SCHEMBL2930396	491.602	DKKBLJKJQFTWCY-HMXCVIKNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172736
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CNC(=O)c1cc(OC)c(OC)cc1)c1cc(ccc1)C	PC-id_77223009	491.602	VUEXVCZNRXROHM-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172737
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CNC(=O)c1c(OC)ccc(OC)c1)c1cc(ccc1)C	PC-id_77222829	491.602	WQNHVZQMYMZKDE-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172738
s1c(c(nc1C)C(=O)N1C2C(C2)CC1CNC(=O)c1c(OC)cc(OC)cc1)c1cc(ccc1)C	PC-id_77222854	491.602	SEOSLVZDBJWGAD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-172739
S(=O)(=O)(CCCCCCC1N(CC2OC2C1)C(=O)OC(C)(C)C)c1n(nnn1)c1ccccc1	PC-id_76528021	491.604	GAMCEGXTEOSTAB-UHFFFAOYSA-N	00100000100010110001110000000000000000000000000000000000	22-01-172740
S(=O)(=O)(CCCCCC[C@H]1N(C[C@H]2O[C@H]2C1)C(=O)OC(C)(C)C)c1n(nnn1)c1ccccc1	PC-id_57413224	491.604	GAMCEGXTEOSTAB-HSALFYBXSA-N	00100000100010110001110000000000000000000000000000000000	22-01-172741
CC1CCCC2(C(O2)(C(C(OC(=O)CCC(C(=O)C(C1)C)(C)C)C(=Cc1coc(n1)C)C)O)O)C	SCHEMBL2841586,PC-id_87444111	491.617	YLVWGLXJNLYRCA-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-172742
CC1CCCC2C(O2)(CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=Cc1coc(n1)C)C)C	PC-id_88261090	491.617	YDVXGYIWJXYJQR-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-172743
CC1C=CCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC1COC(=N1)C)C)C	PC-id_89280210	491.617	HEFAKFSSXMZANI-UHFFFAOYSA-N	00100011000000000111010000000000000000000000000000000000	22-01-172744
CC1CC(=C)CC(C2C(O2)CC(OC(=O)CCCCNC(=O)C1)C(C=CC1CC(=CCO1)C)O)O	PC-id_89192020	491.617	PAZPVUPESLVRRC-UHFFFAOYSA-N	00100000000011000101010000000000000000000000000000000000	22-01-172745
C=C1C[C@H](C)CC(=O)NCCCCC(=O)O[C@@H](C[C@H]2[C@H]([C@H](C1)O)O2)[C@H](/C=C/[C@H]1OCC=C(C1)C)O	SCHEMBL13878208	491.617	PAZPVUPESLVRRC-IBVAAXKOSA-N	00100000000011000101010000000000000000000000000000000000	22-01-172746
C/C(=Cc1coc(C)n1)/[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1	UNPD86087,PC-id_9870258,CHEMBL471485	491.617	WFXWKMLJLRBVHH-PVYNADRNSA-N	00100000100000000101010000000000000000000000000000000000	22-01-172747
O1C2C1CCCC(C(O)C(C(=O)C(C(O)CC(=O)OC(C2C)C(=Cc1nc(oc1)C)C)(C)C)C)C	PC-id_74345028	491.617	GGKNFFPWTILUEB-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-172748
O1C2(C1C[C@H](OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCC2)C)C)(C)C)/C(=C/c1nc(oc1)C)/C)C	PC-id_59097717	491.617	WFXWKMLJLRBVHH-OQQNSALLSA-N	00100000100000000101010000000000000000000000000000000000	22-01-172749
O1C2(C1CC(OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)C(CCC2)C)C)(C)C)/C(=C/c1nc(oc1)C)/C)C	SCHEMBL13931712,PC-id_57574862	491.617	WFXWKMLJLRBVHH-GKQXLSJDSA-N	00100000100000000101010000000000000000000000000000000000	22-01-172750
O1C2(C1CC(OC(=O)CC(O)C(C(=O)C(C(O)C(CCC2)C)C)(C)C)/C(=C/c1nc(oc1)C)/C)C	PC-id_21907138	491.617	WFXWKMLJLRBVHH-LFIBNONCSA-N	00100000100000000101010000000000000000000000000000000000	22-01-172751
O1[C@@H]2[C@H]1CCC[C@@H]([C@H](O)[C@H](C(=O)C([C@@H](O)CC(=O)O[C@@H]([C@H]2C)/C(=C/c1nc(oc1)C)/C)(C)C)C)C	PC-id_24886470	491.617	GGKNFFPWTILUEB-GYJCCCCJSA-N	00100000100000000101010000000000000000000000000000000000	22-01-172752
O1[C@H]2[C@@H]1[C@@H](O)CC(=C)C[C@@H](CC(=O)NCCCCC(=O)O[C@@H](C2)[C@@H](O)/C=C/[C@H]1OCC=C(C1)C)C	PC-id_57660046	491.617	PAZPVUPESLVRRC-GJDHZGBTSA-N	00100000000011000101010000000000000000000000000000000000	22-01-172753
O=C1OC(C(=Cc2nc(oc2)C)C)CC2OC2(C)CCCC(C)C(O)C(C(=O)C(C)(C)C(O)C1)C	CNP0176137,PC-id_87584035	491.617	WFXWKMLJLRBVHH-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-172754
O=C1O[C@@H](C[C@]2(C)O[C@@H]2CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)C(=Cc1coc(n1)C)C	SCHEMBL8184950	491.617	YDVXGYIWJXYJQR-CYGUXWMSSA-N	00100000100000000101010000000000000000000000000000000000	22-01-172755
O=C1O[C@@H](C[C@]2(C)O[C@H]2CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)C(=Cc1coc(n1)C)C	SCHEMBL8234354	491.617	YDVXGYIWJXYJQR-NXNUWCJVSA-N	00100000100000000101010000000000000000000000000000000000	22-01-172756
O=C1O[C@@H](CC2OC2(C)C/C=C/[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C/C1COC(=N1)C)/C	SCHEMBL14226401	491.617	HEFAKFSSXMZANI-DYOMCYKGSA-N	00100011000000000111010000000000000000000000000000000000	22-01-172757
O=C1O[C@@H](C[C@@H]2O[C@]2(C)CCCC([C@@H](C(C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C/c1coc(n1)C)/C	SCHEMBL13215190	491.617	WFXWKMLJLRBVHH-RSQFLHHESA-N	00100000100000000101010000000000000000000000000000000000	22-01-172758
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Cc1c(n(nc1)C)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC(C1COC1)c1cc(c(cc1F)C(F)(F)F)F	SCHEMBL20790695,PC-id_137543978	498.446	IMQKJQHKLMXIAC-FONQLZQXSA-N	00101010100000110001010000000000000000000000000000000000	22-01-173871
Cc1c(n(nc1)C)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](C1COC1)c1cc(c(cc1F)C(F)(F)F)F	PC-id_137543976,SCHEMBL20790693	498.446	IMQKJQHKLMXIAC-RBYNONRVSA-N	00101010100000110001010000000000000000000000000000000000	22-01-173872
FC(F)(F)C(OC)(C(=O)OC1C(OC(=O)C=CC)CC(OC(=O)C2OC2C=C1)C)c1ccccc1	PC-id_74026076	498.446	NZDRYYYDBXAZPO-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-173873
FC(F)(F)[C@@](OC)(C(=O)O[C@@H]1[C@H](OC(=O)/C=C/C)C[C@H](OC(=O)C2OC2/C=C/1)C)c1ccccc1	PC-id_23242272	498.446	NZDRYYYDBXAZPO-YOFUFENUSA-N	00100000000000110110010000000000000000000000000000000000	22-01-173874
FC(F)(F)[C@](OC)(C(=O)O[C@@H]1[C@H](OC(=O)/C=C/C)C[C@H](OC(=O)C2OC2/C=C/1)C)c1ccccc1	PC-id_23242273	498.446	NZDRYYYDBXAZPO-MVWOUVEASA-N	00100000000000110110010000000000000000000000000000000000	22-01-173875
CC1C2(CC2C(C(O1)OCC1C(C(C(C(CO1)OCC1C(C(C(C(O1)O)O)O)O)O)O)O)O)O	PC-id_90923541	498.476	XBRDPNJXEBLXBN-UHFFFAOYSA-N	00100000000010000100010000000000000000000000000000000000	22-01-173876
CCc1cnc(o1)c1ccc(nc1C(=O)N1C[C@@H]2C(=C)[C@@H]2CC1COc1ccc(cn1)C(F)(F)F)C	PC-id_144077773	498.497	ZLNQBDYPYQCADI-GLTUQPQBSA-N	00100000100010101001110000000000000000000000000000000000	22-01-173877
CCc1cnc(o1)c1c(nc(cc1)C)C(=O)N1CC2C(C2=C)CC1COc1ncc(cc1)C(F)(F)F	PC-id_91170847	498.497	ZLNQBDYPYQCADI-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-173878
O1C2C1CCCC2OC(=O)c1c(C(=O)OC2C3OC3CCC2)ccc(C(=O)OC2C3OC3CCC2)c1	PC-id_11466139	498.522	UKFFQDHLZPAUJC-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-173879
CNc1nc(nc(n1)N(c1ccccc1)C)c1noc(n1)C(=O)N1CC2C(C1)C2COc1ccccc1	PC-id_144345285	498.536	DUKFVYODZHSBII-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-173880
O(CC1C2C1CN(C2)C(=O)c1onc(n1)c1nc(nc(n1)N)N(c1ccccc1)C)Cc1ccccc1	PC-id_76468627	498.536	XYXVPMGPHZALBC-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-173881
O(CC1[C@@H]2[C@H]1CN(C2)C(=O)c1onc(n1)c1nc(nc(n1)N)N(c1ccccc1)C)Cc1ccccc1	PC-id_56942125	498.536	XYXVPMGPHZALBC-YOFSQIOKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-173882
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1cccc(c1)C	SCHEMBL6103637,PC-id_11949895	498.54	BLBPIJXGVVEBDF-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-173883
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1ccccc1C	SCHEMBL6104469,PC-id_69665763	498.54	GQPWYGPFDKRJAP-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-173884
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1ccc(cc1)C	SCHEMBL6104832,PC-id_69665878	498.54	LOZBJQLMVXPDTR-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-173885
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)CCc1ccccc1	SCHEMBL6103848,PC-id_69665459	498.54	KHFSJSWSNWDZAD-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-173886
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FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2C(=C)/N=C/C(=CN)C)C)nc1	PC-id_77798468	498.543	QTACEMQTAUZJOU-QYPPRUPGSA-N	00100000000010101000010000000000000000000000000000000000	22-01-173888
FC(F)(F)c1ccc(NCC2N(CC3C(C3)C2)C(=O)c2nc(ccc2C(=C)/N=C/C=C(N)C)C)nc1	PC-id_77799076	498.543	WHFDZCGBIIBZDK-KCERQVGZSA-N	00100000000010101000010000000000000000000000000000000000	22-01-173889
FC(F)(F)c1ccc(NCC2N(C[C@H]3[C@H](C3)C2)C(=O)c2nc(ccc2C(=C)/N=C/C(=CN)C)C)nc1	PC-id_70224427	498.543	QTACEMQTAUZJOU-GYAXWPQYSA-N	00100000000010101000010000000000000000000000000000000000	22-01-173890
FC(F)(F)c1ccc(NCC2N(C[C@H]3[C@H](C3)C2)C(=O)c2nc(ccc2C(=C)/N=C/C=C(N)/C)C)nc1	PC-id_70227223	498.543	WHFDZCGBIIBZDK-AOOWIIGVSA-N	00100000000010101000010000000000000000000000000000000000	22-01-173891
N/C=C(C=N/C(=C)c1ccc(nc1C(=O)N1C[C@@H]2C[C@@H]2CC1CNc1ccc(cn1)C(F)(F)F)C)/C	SCHEMBL7903441	498.543	QTACEMQTAUZJOU-FRGHUNFJSA-N	00100000000010101000010000000000000000000000000000000000	22-01-173892
O1C2C1CC(N(Cc1ccc(OC)cc1)C(=O)OCc1ccccc1)C(NC(=O)OC(C)(C)C)C2O	PC-id_85418511	498.568	HVJFHJMPIRXHHA-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-173893
O1[C@@H]2[C@H]1C[C@H](N(Cc1ccc(OC)cc1)C(=O)OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2O	PC-id_11156244	498.568	HVJFHJMPIRXHHA-UDIRQSBCSA-N	00100000000010110000010000000000000000000000000000000000	22-01-173894
FC(F)(F)C(OC)(C(=O)OC1CC2(C(C2CCC2(OCCO2)C)CC1C(C)C)C)c1ccccc1	PC-id_74026966	498.575	CWZJIXKOHNCOBP-UHFFFAOYSA-N	00100010000010110001010000000000000000000000000000000000	22-01-173895
FC(F)(F)[C@](OC)(C(=O)O[C@H]1C[C@@]2([C@@H]([C@H]2CCC2(OCCO2)C)C[C@@H]1C(C)C)C)c1ccccc1	PC-id_23244221	498.575	CWZJIXKOHNCOBP-BWOWDGENSA-N	00100010000010110001010000000000000000000000000000000000	22-01-173896
FC(F)(F)[C@@](OC)(C(=O)O[C@H]1C[C@@]2([C@@H]([C@H]2CCC2(OCCO2)C)C[C@@H]1C(C)C)C)c1ccccc1	PC-id_23244222	498.575	CWZJIXKOHNCOBP-HDVPQOMWSA-N	00100010000010110001010000000000000000000000000000000000	22-01-173897
CC(=O)OCC[C@@H]1NC(=O)N(C)CCCC/C=C[C@H]2[C@](NC1=O)(C2)C(=O)NS(=O)(=O)C1(C)CC1	SCHEMBL13929826	498.593	GSHFZKAQOQRDCK-LTLOVZDMSA-N	00100000000000000111010000000000000000000000000000000000	22-01-173898
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N/N=NC(c1cccc(c1)CC1CCC(C2C1C2)COc1ccc(c(c1c1cccnc1)O)C(=O)C)[NH-]	PC-id_143234163	498.596	KGFQAQXCXJUCBS-UHFFFAOYSA-N	00100000000010111000110000000000000000000000000000000000	22-01-173902
C1CC2C(C2COC(=O)NCCCCC(C(=O)O)NC(=O)OCC2C3C2CCC#CCC3)CCC#C1	PC-id_90390854	498.611	VDPPBWZOAMHAON-UHFFFAOYSA-N	00100000000000000110010000000000000000000000000000000000	22-01-173903
O=C(NC(C(=O)N1CCCC1C(=O)OCCC1CCC2(C1C2(C)C)C)C)/C=C/c1ccc(c(c1)O)O	SCHEMBL19369756	498.611	MVSQUTQOIUFNPM-CSKARUKUSA-N	00100010000010110000010000000000000000000000000000000000	22-01-173904
O=C(N[C@H](C(=O)N1CCCC1C(=O)OCCC1CCC2(C1C2(C)C)C)C)/C=C/c1ccc(c(c1)O)O	SCHEMBL19369790	498.611	MVSQUTQOIUFNPM-RDPTXFLQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-173905
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CCCCCCC1OC1CCCOC(=O)C1CC2OC2CC1C(=O)OCCCC1OC1CCCCCC	PC-id_101829087	522.714	RERZGIPHRBTGQW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-178504
O=C(OCC1[C@@H]2[C@H]1CCC#CCC2)NCCCCC(C(=O)O)NC(=O)OCC1[C@@H]2[C@H]1CCC#CCC2	SCHEMBL16013791	498.611	VDPPBWZOAMHAON-VVCHTIHNSA-N	00100000000000000110010000000000000000000000000000000000	22-01-173908
O=C(OC[C@@H]1[C@@H]2[C@H]1CCC#CCC2)NCCCCC(C(=O)O)NC(=O)OC[C@@H]1[C@@H]2[C@H]1CCC#CCC2	SCHEMBL16013790	498.611	VDPPBWZOAMHAON-KEXVYRTDSA-N	00100000000000000110010000000000000000000000000000000000	22-01-173909
O=C(OC[C@@H]1[C@H]2[C@@H]1CCC#CCC2)NCCCCC(C(=O)O)NC(=O)OC[C@@H]1[C@H]2[C@@H]1CCC#CCC2	SCHEMBL17390282	498.611	VDPPBWZOAMHAON-CLSBMPDPSA-N	00100000000000000110010000000000000000000000000000000000	22-01-173910
COc1ccc(cc1C(c1ccccc1)CC(=O)OCC(=O)NC1C2C1CN(C2)Cc1ccccc1)C	PC-id_68872305,SCHEMBL4001360	498.613	BIXRFAWYEZVVRK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173911
O=C(NC1C2C1CN(C2)Cc1ccccc1)COC(=O)C(OCCC)(c1ccccc1)c1ccccc1	PC-id_10413577	498.613	OCDSMOKSRILTFS-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173912
O=C(NC1[C@@H]2[C@H]1CN(C2)Cc1ccccc1)COC(=O)CC(c1c(OC)ccc(c1)C)c1ccccc1	PC-id_9870522	498.613	BIXRFAWYEZVVRK-FOZWQVIYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173913
COCCOc1cc(CN2CC3C(=C2CC2=CC4CC4C(=C2)OC)C3)cc(c1)c1cnc([nH]1)/C=CC=N	PC-id_144273229	498.616	MNRCRKPCBWQOCD-BIBASAJNSA-N	00100011100011110001110000000000000000000000000000000000	22-01-173914
NC(=O)N[C@@H](C(C)(C)C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NN(C(=O)N[C@H](c1ccccc1)C)CC1CC1)C2	PC-id_145483105	498.618	KSVUSKSGTQHDJL-HZNOYRMQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173915
O=C(N[C@]1(C[C@H]([C@@H]2[C@H]1[C@H]2C(=O)OC(C)(C)C)SN1CNN=C1)C(=O)OC(C)(C)C)OC(C)(C)C	PC-id_140639182	498.636	QAOOJWWGDLBJML-TYQHDMJKSA-N	00100011000010000001010000000000000000000000000000000000	22-01-173916
N#CCNC(=O)C1(C#N)C2C1SC([C@@H](N2CC)O)C(CNc1cccc(c1)CN1CCOCC1)C	PC-id_143242166	498.641	SWIZUBPBXCVZPA-MWMOETCUSA-N	00100000000010110001010000000000000000000000000000000000	22-01-173917
O(Cc1cc(COCC2CCC3C(C2)O3)cc(c1)COCC1CCC2C(C1)O2)CC1CCC2C(C1)O2	SCHEMBL16273343,PC-id_117724456	498.651	BMXFLZMXOUXGFV-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-173918
CC1CCCC2CC2CC(OC(=O)CC(C(C(=O)C(C1N=O)C)(C)C)O)C(=Cc1ncc(cc1)C)C	PC-id_89230643	498.654	QAVWDOXIMJOVDT-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-173919
CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)CC=C)(C)C)O)C=Cc1ccccn1)C	PC-id_91223679	498.654	YSICNBJVCDAICJ-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-173920
O=N[C@H]1[C@@H](C)CCCC2C[C@H]2C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]1C)(C)C)O)/C(=C/c1ccc(cn1)C)/C	SCHEMBL14042500	498.654	QAVWDOXIMJOVDT-DWGSAIITSA-N	00100000000000101100010000000000000000000000000000000000	22-01-173921
CC1(C2C1C(N(C2)C(=O)C(C1(CCCCC1)C)N)C(=O)NC(CCC#C)C(=O)C(=O)NCC1CC1)C	PC-id_88273849	498.657	AZUSAHMGEAOJBG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-173922
C#CCCC(C(=O)C(=O)NCC1CC1)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C1(C)CCCCC1)N	SCHEMBL8280125	498.657	AZUSAHMGEAOJBG-GRNGOJQOSA-N	00100010000010000000010000000000000000000000000000000000	22-01-173923
NC1=CC=C(C=CC1)N(c1ccc(cc1)N)c1ccc(cc1)N(C1=CC2C(C=C1)(C2)C)c1ccc(cc1)C	PC-id_143493310	498.661	AIUOEFNYIGVCNU-UHFFFAOYSA-N	00100000000011110110010000000000000000000000000000000000	22-01-173924
CSOC1C(CSc2ccc(c(c2)C)F)C(C2C1C2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	SCHEMBL19366570	498.671	NUNXZXMQBOKUTH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-173925
C[C@@H](Oc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)OCCN[C@@H]1C2[C@H]1CN(C2)Cc1ccccc1	SCHEMBL14305266	498.699	FGKCVEPRSCBFPL-WLFLIZBCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173926
O(CCNC1C2C1CN(C2)Cc1ccccc1)c1ccc(cc1)CC(Oc1ccc(C(C)(C)C)cc1)C	PC-id_78029710	498.699	FGKCVEPRSCBFPL-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173927
O(CCNC1C2[C@H]1CN(C2)Cc1ccccc1)c1ccc(cc1)C[C@H](Oc1ccc(C(C)(C)C)cc1)C	PC-id_71131137	498.699	FGKCVEPRSCBFPL-YZETZZRISA-N	00100010000000110000010000000000000000000000000000000000	22-01-173928
[Si](OC(=O)C1C2C1CCC2(NC(=O)C(NC(=CC(=O)OC)C)C)C(=O)O[Si](C)(C)C)(C)(C)C	PC-id_73152522	498.717	OVVOPEHCIRNIDT-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-173929
[Si](OC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]2(NC(=O)[C@@H](NC(=CC(=O)OC)C)C)C(=O)O[Si](C)(C)C)(C)(C)C	PC-id_11954509	498.717	OVVOPEHCIRNIDT-IIVBFWKASA-N	00100010000010000000010000000000000000000000000000000000	22-01-173930
CCC1(COC1)CO[Si](OCC1(CC)COC1)(OCC1(CC)COC1)CCC1CCC2C(C1)O2	SCHEMBL14007179,PC-id_59850404	498.725	UIHFVLHCGKELJB-UHFFFAOYSA-N	00101000000010000000010000000000000000000000000000000000	22-01-173931
CC([Si](C(C)C)(C(C)C)OC[C@H]1O[C@@H]2O[C@@H]2[C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)C	PC-id_101082668	498.726	DCSFQCFECIJHCZ-XYPQWYOHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-173932
[Si](OCC1OC2OC2C(OCc2ccccc2)C1OCc1ccccc1)(C(C)C)(C(C)C)C(C)C	PC-id_85173350	498.726	DCSFQCFECIJHCZ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-173933
[Si](OC[C@@H]1O[C@@H]2O[C@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C(C)C)(C(C)C)C(C)C	PC-id_10529356	498.726	DCSFQCFECIJHCZ-WNJKUOTESA-N	00100000000010110000010000000000000000000000000000000000	22-01-173934
CC(C(CC1CCC2C(C1)O2)(CC1CCC2C(C1)O2)C)(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2	PC-id_140515112	498.737	WIKKFKJYMBBMBX-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-173935
CCC(CC1CCC2C(C1)O2)C(CC1CCC2C(C1)O2)(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2	SCHEMBL2974707,PC-id_87461090	498.737	HXXZNQBXBAPEFW-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-173936
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IC1(N(C(=O)CNC2C3C2CN(C3)C(=O)c2cc(Cl)ccc2)CCC1)C#N	PC-id_77606877	498.745	DYKULTKJIWKXQZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173938
I[C@]1(N(C(=O)CNC2C3C2CN(C3)C(=O)c2cc(Cl)ccc2)CCC1)C#N	SCHEMBL4635115,PC-id_69121884	498.745	DYKULTKJIWKXQZ-ZFMVVSJCSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173939
CC1SC1CC(C(C(=O)OCC1CCC2(C(C1)S2)C)C)C(=O)OCC1CCC2(C(C1)S2)C	SCHEMBL19261893	498.762	BXODPQPSGWVQRL-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-173940
CC(O[C@@H]1[C@H](OC(C)C)[C@H]2[C@@H]([C@H]1[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C2)C	PC-id_101008855	498.771	ZKCKTSNVIRMAJF-CVCQUZQZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-173941
CC(O[C@H]1[C@@H](OC(C)C)[C@H]2[C@@H]([C@H]1[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C2)C	PC-id_101008857	498.771	ZKCKTSNVIRMAJF-ISBPOBPSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-173942
CC1CCCC(C1)CCCCOC(=C)C1CC2(C)OC2CC1C(=C)OCCCCC1CCC2C(C1)C2	PC-id_143374688	498.78	MGMNXISWPVZYGJ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-173943
C=CC1[C@H]2C[C@H]2CN1C(=O)CC(C(C)(C)C)NC(=C)N[C@@H](CC(C)C)CCCC(=C)CNCC1CC1	PC-id_143361847	498.787	UMBMSYYHVHRYBA-WIHWRNPQSA-N	00100010000000000000010000000000000000000000000000000000	22-01-173944
[Si](OC(C1C(C2OC2C1)C=CC(=O)OC)CCCCO[Si](C(C)(C)C)(C)C)(C(C)(C)C)(C)C	PC-id_73039140	498.843	ARKCXDFOJJRORM-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-173945
[Si](O[C@H]([C@@H]1[C@H]([C@H]2O[C@H]2C1)/C=C/C(=O)OC)CCCCO[Si](C(C)(C)C)(C)C)(C(C)(C)C)(C)C	PC-id_11641818	498.843	ARKCXDFOJJRORM-WSINPDLESA-N	00100010000000000000010000000000000000000000000000000000	22-01-173946
CC1CCCC(C1)CN(C[C@H](C1CCCCCC1)C1CCCCC1)CC1CC(C)[C@@H]2C(C1)C2N(C)C	PC-id_138547601,SCHEMBL20902771	498.869	VFOGTJPJFFCAIT-QTOBIRCWSA-N	00100000000010000100010000000000000000000000000000000000	22-01-173947
O=C([C@H]1C[C@@H]2[C@H](N1C(=O)c1cccc(c1)C(F)(F)F)C2)NC(c1cc(F)c(cc1F)Cl)C1CC1	SCHEMBL20817751,PC-id_138471516	498.873	DYWCUAAFMZWSTH-QFMAFTBUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173948
O=C([C@H]1C[C@@H]2[C@H](N1C(=O)c1cccc(c1)C(F)(F)F)C2)N[C@@H](c1cc(F)c(cc1F)Cl)C1CC1	PC-id_138466353,SCHEMBL20811374	498.873	DYWCUAAFMZWSTH-PJBPFLDMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173949
[Si](O[C@@H]1C[C@]2(O[C@]2(C(C1)(C)C)CC(O)/C(=C/CO[Si](C(C)(C)C)(C)C)/C)C)(C(C)(C)C)(C)C	PC-id_72697222	498.886	IJSKHLRSCZORPR-ZNIVEYDRSA-N	00100000000010000000010000000000000000000000000000000000	22-01-173950
CC(C(=O)N1CCCCC1)[N+]12CCC(C1O2)N(CC(=O)O)S(=O)(=O)C=Cc1ccc(cc1)Cl	PC-id_87929655	499	LFMWQLWYJJFRSC-UHFFFAOYSA-O	00100010000010110001010000000000000000000000000000000000	22-01-173951
C[C@H]([N+]12CC[C@@H](C2O1)N(S(=O)(=O)/C=C/c1ccc(cc1)Cl)CC(=O)O)C(=O)N1CCCCC1	SCHEMBL6031456	499	LFMWQLWYJJFRSC-SQFSVRHUSA-O	00100010000010110001010000000000000000000000000000000000	22-01-173952
C1CC1[C@H](C2=CC(=C(C=C2F)Cl)F)C34CC3CC(N4C(=O)C5=CC(=CN=C5)C(F)(F)F)C(=O)N	PC-id_154606289	499.109	YGLWFNYTIPTXCD-LTJRLIRESA-N	00100010000000111000010000000000000000000000000000000000	22-01-173953
C1CC1[C@H](C2=CC(=C(C=C2F)Cl)F)C34CC3CC(N4C(=O)C5=CC(=NC=C5)C(F)(F)F)C(=O)N	PC-id_154606398	499.109	XQTFVWMBZPTQHM-XFGXOFRSSA-N	00100010000000111000010000000000000000000000000000000000	22-01-173954
C1CC1[C@H](C2=CC(=C(C=C2F)Cl)F)C34CC3CC(N4C(=O)C5=NC=CC(=C5)C(F)(F)F)C(=O)N	PC-id_154606343	499.109	UGRRCRUAVCITLM-LTJRLIRESA-N	00100010000000111000010000000000000000000000000000000000	22-01-173955
C1CC1[C@H](C2=CC(=C(C=C2F)Cl)F)C34CC3CC(N4C(=O)C5=NC(=CC=C5)C(F)(F)F)C(=O)N	PC-id_154606429	499.109	KBPZNAOTTFKVMS-PEYWWNNSSA-N	00100010000000111000010000000000000000000000000000000000	22-01-173956
CCC(Cc1ccccc1)/C=C(/CC(C(=O)N[C@@]12CCCC1C2[NH+](O)[O-])N)I	PC-id_163710670	499.133	KIXUTZCWZUEUTC-FSSZKYTFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-173957
C1C=NC(=N1)S[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)OCC4=CC(=CC=C4)F)(C(=O)OCC5=CC(=CC=C5)F)N	PC-id_161115227	499.138	UKFPWZRULDLXFM-SQDATOHTSA-N	00100011000010110001010000000000000000000000000000000000	22-01-173958
CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2C(CC3C2(C3)[C@H](C4CC4)C5=C(C=C(C(=C5)F)C#N)F)C(=O)N	PC-id_154606461	499.138	OQRWEJVLXDCEIV-OFIAITFYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173959
C1CCN(C1)C(=N)C1=C[C@@H]2C(C2(C=C1)C(=O)NC1=C(C=C(CC1)F)C(=O)Nc1ncc(cc1)Cl)F	PC-id_164021596	499.159	UZYHNDUFRBDFKK-MFDWQKDMSA-N	00100010000011101000010000000000000000000000000000000000	22-01-173960
CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=CN=C2C(=O)N)N3CCCC(C3)NC(=O)C4C5C4CNC5	PC-id_154680897	499.2	LMDWRMCBFBRNKX-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-173961
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(c(c1)OC)OC	SCHEMBL14057037,PC-id_89238310	499.579	QCVGXXOCGMPWRK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-174048
CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=CN=C2C(=O)N)N3CCCC(C3)NC(=O)C4[C@H]5[C@@H]4CNC5	PC-id_155060156	499.2	LMDWRMCBFBRNKX-WPUGQYJPSA-N	00100010000010110001110000000000000000000000000000000000	22-01-173962
CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=CN=C2C(=O)N)N3CCC[C@H](C3)NC(=O)C4C5C4CNC5	PC-id_164762666	499.2	LMDWRMCBFBRNKX-AEGNVBMISA-N	00100010000010110001110000000000000000000000000000000000	22-01-173963
CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=CN=C2C(=O)N)N3CCC[C@H](C3)NC(=O)C4[C@H]5[C@@H]4CNC5	PC-id_155060154	499.2	LMDWRMCBFBRNKX-FOGSRIBSSA-N	00100010000010110001110000000000000000000000000000000000	22-01-173964
B([C@H](CC1=CC=C(C=C1)F)NC(=O)OC[C@H]2[C@H]3C[C@H]3CN2C(=O)C(=CC4(CCOCC4)C)C#N)(O)O	PC-id_153277861	499.229	RONMMPIGUBWLSX-MQGJPIDWSA-N	00100010000010110000010000000000000000000000000000000000	22-01-173965
CC1(C2C1C(N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C	PC-id_164701812	499.241	LIENCHBZNNMNKG-AFOCPWELSA-N	00100010000000000000010000000000000000000000000000000000	22-01-173966
CC1(C2C1C(N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@H](C[C@@H]3CCNC3=O)C#N)C	PC-id_164701818	499.241	LIENCHBZNNMNKG-DNDNERCRSA-N	00100010000000000000010000000000000000000000000000000000	22-01-173967
CC1(C2C1(C(N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N)[C@@H](C[C@H]3CCNC3=O)C#N)C	PC-id_164850071	499.241	OMSRZVHNONVACC-RCKGBSQBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-173968
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)CN(C[C@@H]3CCNC3=O)C#N)C	PC-id_165384390	499.241	YLUJPMJXCYJSIQ-XSIBGMEISA-N	00100010000000000000010000000000000000000000000000000000	22-01-173969
CC(C)C[C@@H](C(=O)N1CC2C(C1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C2(C)C)NC(=O)C(F)(F)F	PC-id_164701813	499.241	QPOMVFMAZCTLOG-INWBBXMUSA-N	00100010000000000000010000000000000000000000000000000000	22-01-173970
CC(C)[C@@H](C(=O)N1CC2C(C1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C2(C)C)NC(=O)CC(F)(F)F	PC-id_164701758	499.241	ORPIDGJQUVCJRT-NEUKYLBXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-173971
C1C[C@@H]2[C@@H](C2COC(=O)CCCOCCOCCNC(=O)OCC3[C@H]4[C@@H]3CCC#CCC4)CCC#C1	PC-id_160131764	499.293	YGGRJSXKGWVHNG-UKLUXLCMSA-N	00100000000000000110010000000000000000000000000000000000	22-01-173972
CC(C)(C)OC(=O)NC1(C2C(C2C(=O)[O-])C(C1OCc1cc(c(cc1)Cl)Cl)N=[N+]=[N-])C(=O)[O-]	PC-id_89790273	499.301	TZWLGRHUHHHYJK-UHFFFAOYSA-L	00100010000010110000010000000000000000000000000000000000	22-01-173973
[N-]=[N+]=N[C@H]1[C@H]2[C@@H]([C@H]2[C@]([C@@H]1OCc1ccc(c(c1)Cl)Cl)(NC(=O)OC(C)(C)C)C(=O)[O-])C(=O)[O-]	SCHEMBL15239144	499.301	TZWLGRHUHHHYJK-KBONTGMASA-L	00100010000010110000010000000000000000000000000000000000	22-01-173974
CC[C@]1([C@@]2(C1(OC(C2(C)O)(C)CO[C@]1(CC1(C)C(C)([C@H](C)COCC)NC(=O)C)O)C(=O)O)C)C	PC-id_164084087	499.315	XAFURLOQEMQVAT-IRYVCCLUSA-N	00100010000000000000010000000000000000000000000000000000	22-01-173975
CC1C2C1C(N(C2)C(=O)CCC(C)C)C(=O)NC(CCC(=O)N)C(C)OCC3=CC=C(C=C3)C(C)C	PC-id_155188870	499.341	XVIGQVFAORDOSC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173976
CCCN(C(=O)CN=C
C[C@H]2C[C@H]2/C1=C(C(=O)N3CCC(CC3)NC(=O)C)/N)C4(CC4)CC(C)CC	PC-id_153600608	499.352	VNQFZGRDYAECPM-XWGXPOKKSA-N	00100010000010000000010000000000000000000000000000000000	22-01-173977
Brc1cccc(n1)NC(=O)[C@@H]1C[C@@]2(C(N1C(=O)CNc1ccccc1C(=N)C(=O)N)C2)C	SCHEMBL19234483	499.36	JSEAWIKPCMWSSH-YRZCMAPVSA-N	00100010000000111000010000000000000000000000000000000000	22-01-173978
Cc1ccc(c(c1)NCC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(n1)Br)C(=N)C(=O)N	PC-id_145690156	499.36	CVEFMZFNJZCFMN-WQVCFCJDSA-N	00100010000000111000010000000000000000000000000000000000	22-01-173979
CNC(=O)C(=N)c1ccccc1NCC(=O)N1C2CC2CC1C(=O)Nc1nc(ccc1)Br	PC-id_90071577	499.36	WSCPQTUOWHZYCL-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-173980
CNC(=O)C(=N)c1ccccc1NCC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(n1)Br	SCHEMBL15607686	499.36	WSCPQTUOWHZYCL-WQVCFCJDSA-N	00100010000000111000010000000000000000000000000000000000	22-01-173981
O=Cc1ccc(c(c1)c1cnc(c(c1)OC1C[C@@H]2[C@H](C1)C2)N(C(=O)c1c(F)cccc1Cl)C)Cl	PC-id_145696090	499.361	XMJNNRDNAAOHCG-BYICEURKSA-N	00100010000010111000110000000000000000000000000000000000	22-01-173982
Fc1ccc(cc1)S(=O)(=O)N1CC2(C(C1C(=O)N)C2(C)C)Cc1ccc(c(c1)Br)F	PC-id_145136626	499.369	BZANGUQEVJUWCK-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173983
Fc1ccc(cc1)S(=O)(=O)N1CC2C(C1C(=O)NCc1ccc(c(c1)Br)F)C2(C)C	PC-id_140738780	499.369	FSOWINFTEWPRCJ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173984
Fc1ccc(cc1)S(=O)(=O)N1CC2[C@@H](C1C(=O)NCc1ccc(c(c1)Br)F)C2(C)C	SCHEMBL17979190,PC-id_122455899	499.369	FSOWINFTEWPRCJ-OBONGRFPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173985
Fc1ccc(cc1)S(=O)(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NCc1ccc(c(c1)Br)F)C2(C)C	PC-id_122490034,SCHEMBL18018243	499.369	FSOWINFTEWPRCJ-SNRMKQJTSA-N	00100010000000110000010000000000000000000000000000000000	22-01-173986
C=CCCS(=O)(=O)NC[C@@]12C[C@H](N([C@@H]1C2)C(=O)O)C(=O)Nc1c(ccc(n1)Br)C=C	PC-id_135318310,SCHEMBL20488146	499.379	ONXUSKAUSYQZGG-KSMMKXTCSA-N	00100010000000101000010000000000000000000000000000000000	22-01-173987
O=C(N[C@]1(C(=O)O)CCC[C@@H]2C[C@@H]12)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1	ZINC22_2325851564	499.399	CEJNOCUHTQQPKN-BBEGDGIKSA-N	00100000100110110000010000000000000000000000000000000000	22-01-173988
O=C(N[C@]1(C(=O)O)CCC[C@H]2C[C@@H]12)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1	ZINC22_2325851565	499.399	CEJNOCUHTQQPKN-BBEJJTJUSA-N	00100000100110110000010000000000000000000000000000000000	22-01-173989
O=C(N[C@]1(C(=O)O)CCC[C@H]2C[C@H]12)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1	ZINC22_2325851566	499.399	CEJNOCUHTQQPKN-PTAUBWNISA-N	00100000100110110000010000000000000000000000000000000000	22-01-173990
O=C(N[C@]1(C(=O)O)CCC[C@@H]2C[C@H]12)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1	ZINC22_2325851567	499.399	CEJNOCUHTQQPKN-SPKLELGKSA-N	00100000100110110000010000000000000000000000000000000000	22-01-173991
C=C/N=C(/C(F)(F)F)C=C(Nc1nc(NC2C3C2COC3)nc(n1)c1cccc(n1)C(F)(F)F)/C	SCHEMBL19240837	499.412	JMHZJKBQBCDFQY-SUPJHKBISA-N	00100010000000101001110000000000000000000000000000000000	22-01-173992
C=N/C=C(/C(F)(F)F)C=C(Nc1nc(NC2C3C2COC3)nc(n1)c1cccc(n1)C(F)(F)F)/C	SCHEMBL18520692	499.412	WRMQAZZHJLXKKM-JMQWPVDRSA-N	00100010000000101001110000000000000000000000000000000000	22-01-173993
ClC1(Cl)C2C1OC(C(OCc1ccccc1)C2OCc1ccccc1)COCc1ccccc1	PC-id_85367941	499.426	MLWOPDONKKNNFH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-173994
ClC1(Cl)[C@H]2[C@@H]1O[C@@H]([C@@H]([C@@H]2OCc1ccccc1)OCc1ccccc1)COCc1ccccc1	PC-id_102095609	499.426	MLWOPDONKKNNFH-SEFGFODJSA-N	00100000000010110000010000000000000000000000000000000000	22-01-173995
ClC1(Cl)[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]12	PC-id_11016553,CHEMBL211251	499.426	MLWOPDONKKNNFH-ACFIUOAZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-173996
O=C(C(c1ccccc1)(C1CCCC1)O)NC[C@@H]1[C@@H]2C1CN(C2)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]	SCHEMBL4479620	499.579	XDDUBOMNVYCOBO-ZHKZDJPUSA-N	00100010000000110000010000000000000000000000000000000000	22-01-174049
Cc1c(c(no1)C)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC(C1COC1)c1cc(c(cc1F)C(F)(F)F)F	PC-id_137544012,SCHEMBL20790729	499.43	OFWHLUDGDITYSF-KBVITJGWSA-N	00101010100000110001010000000000000000000000000000000000	22-01-173997
Cc1c(c(no1)C)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](C1COC1)c1cc(c(cc1F)C(F)(F)F)F	SCHEMBL20790726,PC-id_137544009	499.43	OFWHLUDGDITYSF-FDDCNEHNSA-N	00101010100000110001010000000000000000000000000000000000	22-01-173998
Cc1c(onc1C)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC(C1COC1)c1cc(c(cc1F)C(F)(F)F)F	PC-id_137543877,SCHEMBL20790588	499.43	CAOCKXFSZKXCBA-FONQLZQXSA-N	00101010100000110001010000000000000000000000000000000000	22-01-173999
Cc1c(onc1C)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](C1COC1)c1cc(c(cc1F)C(F)(F)F)F	PC-id_137543876,SCHEMBL20790587	499.43	CAOCKXFSZKXCBA-RBYNONRVSA-N	00101010100000110001010000000000000000000000000000000000	22-01-174000
OCc1nnc(n1c1ccc(cc1)N(C)C)SC([C@]12C=CC(=CC1C2)Cl)c1ccc(cc1)Cl	PC-id_143038560	499.455	OEDSECJBGOVLNL-JOYOMSCZSA-N	00100000100011110001110000000000000000000000000000000000	22-01-174001
CC1C(C(C(C(O1)OC(C(CO)O)C(=O)C(CO)O)O)O)NC1C(C(C(C2(C1O2)CO)O)O)O	PC-id_91035364	499.464	YCBWPKDECCQEIE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-174002
O1C2(C1C(NC1C(O)C(O)C(OC1C)OC(C(O)C(O)C=O)C(O)CO)C(O)C(O)C2O)CO	PC-id_21021642,SCHEMBL14409019	499.464	BTMLULDVXHABOG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-174003
OCC1OC(O)C(O)C(O)C1OC1OC(C)C(NC2C(O)C(O)C(O)C3(OC23)CO)C(O)C1O	CNP0342642	499.464	PIJOQNWUCHYGGV-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-174004
CC(=O)OCOC(=O)[C@]1(N)[C@H](CSc2ccc(c(c2)C)F)[C@H]([C@@H]2[C@H]1[C@H]2C(=O)OCOC(=O)C)O	PC-id_67685559,SCHEMBL8765532	499.507	YZLPJQCPDHECQF-OUVXKHQHSA-N	00100010000010110000010000000000000000000000000000000000	22-01-174005
S(CC1C(N)(C2C(C2C(=O)OCOC(=O)C)C1O)C(=O)OCOC(=O)C)c1cc(c(F)cc1)C	PC-id_77336379	499.507	YZLPJQCPDHECQF-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-174006
Fc1cc(NCC2C3C2CN(C3)S(=O)(=O)c2ccc(cc2)C(F)(F)F)ccc1N1CCOCC1	SCHEMBL4414455,PC-id_69034291	499.522	BLIJFGDNAXALLG-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-174007
Fc1c(ncnc1N(C1CC1)Cc1ccc(cc1)C(F)(F)F)NCC12CC1CN(C2)S(=O)(=O)C	SCHEMBL17501181,PC-id_118869236	499.525	NEWDFVARJYLXIF-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-174008
CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C	EMOLS-id_337749906	499.526	LIENCHBZNNMNKG-WGGGBPLMSA-N	00100010000000000000010000000000000000000000000000000000	22-01-174009
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[Si](OC[C@@H](N)C[C@]1(O)[C@H]2O[C@H]2[C@H](OC(=O)C)C[C@@H]1O)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_16680060	499.671	BISKYOAVUXLGOH-MAAVXUIHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-174081
[Si](OCC(N)CC1(O)C2OC2C(OC(=O)C)CC1O)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_73306477	499.671	BISKYOAVUXLGOH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-174082
CC1CCCC2(CC2CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=Cc1ncc(cc1)C)C)C	PC-id_90951026	499.682	LIQWXOONFFUEJE-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-174083
CCc1ccc(nc1)/C=C(/[C@H]1OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]([C@H](CCC[C@H]2[C@H](C1)C2)C)O)C	SCHEMBL14599919,PC-id_71211619	499.682	POXAMURXXWRBSZ-QENDLGBZSA-N	00100000000000101100010000000000000000000000000000000000	22-01-174084
O1C(CC2C(C2)CCCC(C(O)C(C(=O)C(C(O)CC1=O)(C)C)C)C)C(=Cc1ncc(cc1)CC)C	PC-id_72424502	499.682	POXAMURXXWRBSZ-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-174085
O1C(CC2C(C2)(CCCC(C(O)C(C(=O)C(C(O)CC1=O)(C)C)C)C)C)C(=Cc1nc(ccc1)C)C	PC-id_72424498	499.682	XRBVQKLIZVWOTQ-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-174086
O1C(C[C@H]2[C@](C2)(CCC[C@@H]([C@H](O)[C@H](C(=O)C([C@@H](O)CC1=O)(C)C)C)C)C)/C(=C/c1ncc(cc1)C)/C	PC-id_58788477,SCHEMBL14599937	499.682	LIQWXOONFFUEJE-PBWTYDQQSA-N	00100000000000101100010000000000000000000000000000000000	22-01-174087
O1[C@@H](CC2[C@](C2)(CCC[C@@H]([C@H](O)[C@H](C(=O)C([C@@H](O)CC1=O)(C)C)C)C)C)/C(=C/c1ncc(cc1)C)/C	PC-id_10074682	499.682	LIQWXOONFFUEJE-UKTXEVFLSA-N	00100000000000101100010000000000000000000000000000000000	22-01-174088
O1[C@@H](C[C@H]2[C@](C2)(CCC[C@@H]([C@H](O)[C@H](C(=O)C([C@@H](O)CC1=O)(C)C)C)C)C)/C(=C/c1ncc(cc1)C)/C	PC-id_11049367	499.682	LIQWXOONFFUEJE-MLDSRGIOSA-N	00100000000000101100010000000000000000000000000000000000	22-01-174089
O1[C@@H](C[C@H]2[C@@](C2)(CCC[C@@H]([C@H](O)[C@H](C(=O)C([C@@H](O)CC1=O)(C)C)C)C)C)/C(=C/c1ncc(cc1)C)/C	PC-id_11762818,SCHEMBL14599917	499.682	LIQWXOONFFUEJE-OZXWFICLSA-N	00100000000000101100010000000000000000000000000000000000	22-01-174090
O1[C@@H](C[C@H]2[C@@](C2)(CCC[C@@H]([C@H](O)[C@H](C(=O)C([C@@H](O)CC1=O)(C)C)C)C)C)/C(=C/c1nc(ccc1)C)/C	PC-id_58788471,SCHEMBL14599916	499.682	XRBVQKLIZVWOTQ-HORLMLDKSA-N	00100000000000101100010000000000000000000000000000000000	22-01-174091
O1[C@@H](C[C@H]2[C@H](C2)CCC[C@@H]([C@H](O)[C@H](C(=O)C([C@@H](O)CC1=O)(C)C)C)C)/C(=C/c1ncc(cc1)CC)/C	PC-id_58788478	499.682	POXAMURXXWRBSZ-UNOFZDCOSA-N	00100000000000101100010000000000000000000000000000000000	22-01-174092
OC1C(C(=O)C(C(O)CC(=O)OC(C(=CC2=CC3C(C3)C(=N2)C)C)CC=C(CCCC1C)C)(C)C)C	PC-id_77978165	499.682	KBQMYEHWUOCZIR-UHFFFAOYSA-N	00100000000011000110010000000000000000000000000000000000	22-01-174093
O=C1O[C@@H](C/C=C(/C)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C/C1=CC2CC2C(=N1)C)/C	PC-id_71001618,SCHEMBL13821835	499.682	KBQMYEHWUOCZIR-RZJWXHQVSA-N	00100000000011000110010000000000000000000000000000000000	22-01-174094
O=C1O[C@@H](C/C=C(/C)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C/C1=CC2C[C@@H]2C(=N1)C)/C	PC-id_71091942,SCHEMBL14163478	499.682	KBQMYEHWUOCZIR-FQNZVXHTSA-N	00100000000011000110010000000000000000000000000000000000	22-01-174095
CCc1ccc(cc1)CN1CC2C(C1)C2CN(C(=O)c1cccs1)c1ccc(cc1)N1CCCCC1	PC-id_11488918,SCHEMBL2167126	499.71	JSHDYIVUBCPHIW-UHFFFAOYSA-N	00100010100110110000110000000000000000000000000000000000	22-01-174096
[Si](OC[C@@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H]1NC[C@H]2O[C@@H]12)(C(C)(C)C)(C)C	PC-id_46176653	499.714	LROGLKXCEPGNBY-ZRRJEQDASA-N	00100010000000110000010000000000000000000000000000000000	22-01-174097
[Si](OCC(O)C(OCc1ccccc1)C(OCc1ccccc1)C1NCC2OC12)(C(C)(C)C)(C)C	PC-id_75162715	499.714	LROGLKXCEPGNBY-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-174098
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OCC1CC2CC2CN1C(=O)OCc1ccccc1	PC-id_87085871	499.716	UVXCXBVIKRVOAF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-174099
O=C(N1C[C@H]2C[C@H]2C[C@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)OCc1ccccc1	SCHEMBL261246,PC-id_59396023	499.716	UVXCXBVIKRVOAF-VJGNERBWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-174100
OC(=O)N1C[C@]2(Cc3ccccc3)C[C@H]2C[C@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_66636748,SCHEMBL261247	499.716	VJUPDIDEBSRDHQ-WQQNLHNWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-174101
[Si](OCC1N(CC2(C(C2)C1)Cc1ccccc1)C(=O)O)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_77156683	499.716	VJUPDIDEBSRDHQ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-174102
CCCCC(CC12C=C(C=CC1=C2)/C(=C/N=C(C(=C)/C=C[C@@H](c1cc(F)ccc1C)C)C)/C)CCCC	PC-id_144274058	499.745	CXJYPDXKFKXVEQ-MYEJCXONSA-N	00110000000011110000010000000000000000000000000000000000	22-01-174103
C1CC1C(c1cc(c(cc1F)Cl)F)NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)c1cc(cnc1)C(F)(F)F	PC-id_137544745,SCHEMBL20791502	499.861	TVWAFUMTHSTDFK-FHMJVNSTSA-N	00100010000000111000010000000000000000000000000000000000	22-01-174104
C1CC1C(c1cc(c(cc1F)Cl)F)NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)c1cc(ncc1)C(F)(F)F	SCHEMBL20790472,PC-id_137543763	499.861	SKPLJAPJOAGPAN-VWWOPJHRSA-N	00100010000000111000010000000000000000000000000000000000	22-01-174105
C1CC1C(c1cc(c(cc1F)Cl)F)NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)c1nc(ccc1)C(F)(F)F	SCHEMBL20790906,PC-id_137544181	499.861	KJCHYVJRJKUNFP-KBVITJGWSA-N	00100010000000111000010000000000000000000000000000000000	22-01-174106
C1CC1C(c1cc(c(cc1F)Cl)F)NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)c1nccc(c1)C(F)(F)F	SCHEMBL20791010,PC-id_137544282	499.861	ACNCKBBYNVNXNE-FHMJVNSTSA-N	00100010000000111000010000000000000000000000000000000000	22-01-174107
C1CC1[C@H](c1cc(c(cc1F)Cl)F)NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)c1cc(cnc1)C(F)(F)F	PC-id_137544742,SCHEMBL20791499	499.861	TVWAFUMTHSTDFK-ZKBAEPOKSA-N	00100010000000111000010000000000000000000000000000000000	22-01-174108
C1CC1[C@H](c1cc(c(cc1F)Cl)F)NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)c1cc(ncc1)C(F)(F)F	SCHEMBL20790470,PC-id_137543761	499.861	SKPLJAPJOAGPAN-QBBVKUELSA-N	00100010000000111000010000000000000000000000000000000000	22-01-174109
C1CC1[C@H](c1cc(c(cc1F)Cl)F)NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)c1nc(ccc1)C(F)(F)F	PC-id_137544178,SCHEMBL20790903	499.861	KJCHYVJRJKUNFP-FDDCNEHNSA-N	00100010000000111000010000000000000000000000000000000000	22-01-174110
C1CC1[C@H](c1cc(c(cc1F)Cl)F)NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)c1nccc(c1)C(F)(F)F	SCHEMBL20791008,PC-id_137544280	499.861	ACNCKBBYNVNXNE-ZKBAEPOKSA-N	00100010000000111000010000000000000000000000000000000000	22-01-174111
CCOc1ncc(cc1)C#Cc1c(nc(nc1Cl)NCC(F)(F)F)NC1(CCC2C1(C2O)O)O	PC-id_90972551	499.871	IFKKGVVKFPOOSO-UHFFFAOYSA-N	00100010000010101001010000000000000000000000000000000000	22-01-174112
[B]C(C(=O)OC1(CCCC1)C1CCCC1)(C12N[I]1N2)I	PC-id_164026444	499.963	RYHDXYPBQHIKIE-UHFFFAOYSA-N	00100010000000000001110000000000000000000000000000000000	22-01-174113
CCn1nc(cc1OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)Cl)C)C	PC-id_68633883,SCHEMBL3415413	500.013	HKDQPKITQGUCKQ-YTQUADARSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174114
Clc1cc(c2sc(nc2C(=O)N2C(C3C(C3)C2)CNC(=O)Oc2n(nc(c2)C)CC)C)ccc1	PC-id_77530861	500.013	HKDQPKITQGUCKQ-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174115
O=C(Nc1ncc(c(c1)c1cccc(n1)NCC12CCOCC1C2)Cl)CC1CNC[C@@H]1OC(C)C	PC-id_144147279	500.033	RAYDCPGJSICNPV-ZCFBNBTGSA-N	00100010000010101000110000000000000000000000000000000000	22-01-174116
CCCC1C2CC2[C@@H](C(N1S(=O)(=O)c1ccc(cc1)Cl)C)OC(=O)N1CCN(CC1)CCO	SCHEMBL8273841,PC-id_70329400	500.051	WIBZABJEXKWJRR-FSJGAYDYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-174117
Clc1ccc(S(=O)(=O)N2C(C3C(C3)C(OC(=O)N3CCN(CC3)CCO)C2C)CCC)cc1	PC-id_77825275	500.051	WIBZABJEXKWJRR-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-174118
CCCC1=NCC(=N1)C2CCC(CC2)(CC)CN(C3=CC(=CN=C3)Br)C(=C)C45CC4(C5)F	PC-id_155063793	500.195	PMUKDVXHTKAZKR-UHFFFAOYSA-N	00101011000010101001110000000000000000000000000000000000	22-01-174119
CCCC1([C@@H]([C@H](C(=O)C(O1)CO)O)O)c1cc(c(cc1)Cl)Cc1ccc(cc1)OC1C[C@H]2C[C@H]2C1	PC-id_163704259	500.197	KDQUPBXRWJLZGK-AYUDLEQASA-N	00100010000010110000110000000000000000000000000000000000	22-01-174120
CC1=C(C(=CC=C1)OC)C(=O)N2C[C@H]([C@@H](C2)OC3=CC=CC(=C3)CS(=O)(=O)N4CC5CC5C4)OC	PC-id_160825008	500.198	SGASFJFDCKNXBG-KBTIEJEYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-174121
CC[C@@H]1[C@H](OC([C@@H]([C@H]1O)O)c1cc(c(cc1)Cl)Cc1ccc(cc1)OC1CC2C(C1)C2(C)C)CO	PC-id_163558007	500.233	FOTMUQOXFJGDDG-INHDAJEZSA-N	00100010000010110000110000000000000000000000000000000000	22-01-174122
CCCCC1=C2C(=C(C=C1)C(C3=C4C(=C(C=C3)CCCC)O4)(C(CC)CCCC)OP(=O)([O-])[O-])O2	PC-id_153697539	500.234	UZLIPWKFUFXLGE-UHFFFAOYSA-L	00100000000000100000010000000000000000000000000000000000	22-01-174123
CCCCC1=C2C(=C(C=C1)C(CCCC)C(CC)(C3=C4C(=C(C=C3)CCCC)O4)OP(=O)([O-])[O-])O2	PC-id_153711650	500.234	RLZJQQSHAQQDEH-UHFFFAOYSA-L	00100000000000100000010000000000000000000000000000000000	22-01-174124
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NN(C[C@@H]3CCNC3=O)C#N)C	PC-id_165384421	500.236	LJKNVIRIGJGDFM-YYFQZIEXSA-N	00100010000000000000010000000000000000000000000000000000	22-01-174125
CC(C)CN1C2C(O2)N(C(=NC)/C(=C(/NCC3=CC=C(C=C3)C(F)(F)F)NC4=CC=CC=C4)/C1=N)C	PC-id_146772303	500.251	RRYPGNUPIGJKFU-AGZHPYCWSA-N	00100000000000110101010000000000000000000000000000000000	22-01-174126
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCOC(=O)N(CCO)CCO)CCC#C1	PC-id_153425602	500.273	MZQIPLOMEZZWAP-CBQGHPETSA-N	00100000000000000110010000000000000000000000000000000000	22-01-174127
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C=C)C(=O)NC(CC3CC3)C(=O)C(=O)NC4CC4)C	PC-id_165393712	500.3	SSTXVCFNYITEER-QSQYJLEPSA-N	00100010000000000000010000000000000000000000000000000000	22-01-174128
CC(C)(C)OC(=O)NC1(C2C(C2C(=O)O)C(C1OCc1cc(c(cc1)Cl)Cl)N=[N+]=[N-])C(=O)[O-]	PC-id_89790270	500.309	TZWLGRHUHHHYJK-UHFFFAOYSA-M	00100010000010110000010000000000000000000000000000000000	22-01-174129
CC(C)(C)OC(=O)NC1(C2C(C2C(=O)[O-])C(C1OCc1cc(c(cc1)Cl)Cl)N=[N+]=N)C(=O)[O-]	PC-id_89790271	500.309	QTTRNHDURUSOTO-UHFFFAOYSA-M	00100010000010110000010000000000000000000000000000000000	22-01-174130
[N-]=[N+]=N[C@H]1[C@H]2[C@@H]([C@H]2[C@]([C@@H]1OCc1ccc(c(c1)Cl)Cl)(NC(=O)OC(C)(C)C)C(=O)[O-])C(=O)O	SCHEMBL15239142	500.309	TZWLGRHUHHHYJK-KBONTGMASA-M	00100010000010110000010000000000000000000000000000000000	22-01-174131
N=[N+]=N[C@H]1[C@H]2[C@@H]([C@H]2[C@]([C@@H]1OCc1ccc(c(c1)Cl)Cl)(NC(=O)OC(C)(C)C)C(=O)[O-])C(=O)[O-]	SCHEMBL15239143	500.309	QTTRNHDURUSOTO-KBONTGMASA-M	00100010000010110000010000000000000000000000000000000000	22-01-174132
CC(C)CCCCCCCOC(=O)C1CC2C(O2)C(C1C(=O)OCCCCCCCC(C)C)Cl	PC-id_154177798	500.327	PSCNTGCCRHIXNG-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-174133
Brc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)CNc1c(C)nccc1C(=N)C(=O)N)C2	SCHEMBL19234555	500.348	CNSIKAKPFLTAII-BNOWGMLFSA-N	00100010000000101000010000000000000000000000000000000000	22-01-174134
Cc1ncc(c(c1)C(=N)C(=O)N)NCC(=O)N1C2C[C@@H]2C[C@H]1C(=O)Nc1cccc(n1)Br	SCHEMBL19234114	500.348	QVAOFLMTVDCJMQ-QTWGFKIWSA-N	00100010000000101000010000000000000000000000000000000000	22-01-174135
O=C(N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cnc(c(n1)Br)C)CNc1ccccc1C(=N)C(=O)N	PC-id_145690174	500.348	GCPUFWSIASHSCY-DFBGVHRSSA-N	00100010000000110001010000000000000000000000000000000000	22-01-174136
O=C(N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cnc(c(n1)Br)C)CNc1cnccc1C(=N)C(=O)C	PC-id_145690161	500.348	PKAZKZXTBPCQPU-WQVCFCJDSA-N	00100010000000101001010000000000000000000000000000000000	22-01-174137
Cc1ccc(c(c1)NCC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(n1)Br)C(=[NH2+])C(=O)N	PC-id_145690155	500.368	CVEFMZFNJZCFMN-WQVCFCJDSA-O	00100010000000111000010000000000000000000000000000000000	22-01-174138
CN1CNNC1CC2(COC2)C3CCCC(C3)NC(=O)C4CC(CC(N4)C5CC5)CN6CCC7C6C7	PC-id_165379080	500.384	ZWFZMMGXDYCXBC-UHFFFAOYSA-N	00101010000010000001110000000000000000000000000000000000	22-01-174139
CN1CNNC1CC2(COC2)C3CCCC(C3)NC(=O)C4CC(CC(N4)C5CC5)CN6C[C@H]7C[C@H]7C6	PC-id_165378663	500.384	UCUWQJKFFVGTMG-YGAGCHBNSA-N	00101010000010000001110000000000000000000000000000000000	22-01-174140
Cc1c(nc(cc1)Br)NC(=O)C1CC2(CC2N1C(=O)O)COCc1cccc(c1)CC=C	PC-id_135318537,SCHEMBL20488372	500.385	JYUPAWGNSRSUBD-UHFFFAOYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-174141
CC(C)(C)OC(=O)C1C2C1[C@@]([C@@H](C2)OCc1cc(c(cc1)Cl)Cl)(C(=O)OC(C)(C)C)NC=O	PC-id_135160487,SCHEMBL20309280	500.412	HJBYTMIDVKZKPY-YXDGKLMDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-174142
CC(C)(C)OC(=O)[C@H]1C2C1[C@@]([C@@H](C2)OCc1cc(c(cc1)Cl)Cl)(C(=O)OC(C)(C)C)NC=O	SCHEMBL20309278,PC-id_135160485	500.412	HJBYTMIDVKZKPY-AIGKCAATSA-N	00100010000010110000010000000000000000000000000000000000	22-01-174143
Cc1cccc(c1)c1sc(nc1C(=O)N1CC2C(C1CNC(=O)c1ccc(c(c1)Cl)Cl)C2)C	SCHEMBL2926436,PC-id_68443636	500.44	CMHLOPJCPPUIFY-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174144
Cc1cccc(c1)c1sc(nc1C(=O)N1C[C@H]2C([C@H]1CNC(=O)c1ccc(c(c1)Cl)Cl)C2)C	PC-id_66998042,SCHEMBL1338536	500.44	CMHLOPJCPPUIFY-KXXXGBTESA-N	00100010100000110001110000000000000000000000000000000000	22-01-174145
Cc1cccc(c1)c1sc(nc1C(=O)N1C[C@@H]2C([C@H]1CNC(=O)c1ccc(c(c1)Cl)Cl)C2)C	SCHEMBL2926440,PC-id_68443638	500.44	CMHLOPJCPPUIFY-IIAQOEISSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174146
Cc1cccc(c1)c1sc(nc1C(=O)N1C[C@H]2[C@@H]([C@H]1CNC(=O)c1ccc(c(c1)Cl)Cl)C2)C	PC-id_66998041,SCHEMBL1338533	500.44	CMHLOPJCPPUIFY-BBTUJRGHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174147
Cc1cccc(c1)c1sc(nc1C(=O)N1C[C@@H]2[C@H]([C@H]1CNC(=O)c1ccc(c(c1)Cl)Cl)C2)C	SCHEMBL2926439,PC-id_24816128	500.44	CMHLOPJCPPUIFY-DBXWQHBBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174148
Cc1cccc(c1)c1sc(nc1C(=O)N1[C@H](CNC(=O)c2ccc(c(c2)Cl)Cl)C[C@H]2C1C2)C	PC-id_67081058,SCHEMBL1571574	500.44	UEWVMDSDLPYNNT-IZKAZRHKSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174149
Cc1cccc(c1)c1sc(nc1C(=O)N1[C@H](CNC(=O)c2ccc(c(c2)Cl)Cl)C[C@H]2[C@@H]1C2)C	PC-id_67081054,SCHEMBL1571569	500.44	UEWVMDSDLPYNNT-LQWHRVPQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174150
Cc1cccc(c1)c1sc(nc1C(=O)N1[C@H](CNC(=O)c2ccc(c(c2)Cl)Cl)C[C@@H]2[C@@H]1C2)C	PC-id_67081057,SCHEMBL1571572	500.44	UEWVMDSDLPYNNT-WFXMLNOXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174151
Cc1sc(c(n1)C(=O)N1CC2C(C1CNC(=O)c1ccc(cc1Cl)Cl)C2)c1cccc(c1)C	SCHEMBL2925026,PC-id_68443058	500.44	JTZKPKVFBNZLGG-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174152
Cc1sc(c(n1)C(=O)N1C[C@@H]2C([C@H]1CNC(=O)c1ccc(cc1Cl)Cl)C2)c1cccc(c1)C	PC-id_68443061,SCHEMBL2925031	500.44	JTZKPKVFBNZLGG-SVAIFQIPSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174153
Cc1sc(c(n1)C(=O)N1C[C@H]2C([C@H]1CNC(=O)c1ccc(cc1Cl)Cl)C2)c1cccc(c1)C	SCHEMBL1339675,PC-id_66998522	500.44	JTZKPKVFBNZLGG-FLBPPNPVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174154
Cc1sc(c(n1)C(=O)N1C[C@@H]2[C@H]([C@H]1CNC(=O)c1ccc(cc1Cl)Cl)C2)c1cccc(c1)C	PC-id_24815100,SCHEMBL2925029	500.44	JTZKPKVFBNZLGG-OZOXKJRCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174155
Cc1sc(c(n1)C(=O)N1C[C@H]2[C@@H]([C@H]1CNC(=O)c1ccc(cc1Cl)Cl)C2)c1cccc(c1)C	PC-id_66998519,SCHEMBL1339669	500.44	JTZKPKVFBNZLGG-NBHGPNQESA-N	00100010100000110001110000000000000000000000000000000000	22-01-174156
Clc1cc(C(=O)NCC2N(C3C(C3)C2)C(=O)c2nc(sc2c2cc(ccc2)C)C)ccc1Cl	PC-id_77222828	500.44	UEWVMDSDLPYNNT-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174157
Clc1cc(C(=O)NC[C@@H]2N(C[C@H]3[C@@H]2C3)C(=O)c2nc(sc2c2cc(ccc2)C)C)ccc1Cl	PC-id_57489196	500.44	CMHLOPJCPPUIFY-WFXMLNOXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174158
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FC(F)(F)Oc1c(N2CCC(CNC(=O)C(O)C(O)C(=O)N3CC4[C@H](C4CN)C3)CC2)cccc1	PC-id_58922986,SCHEMBL14452991	500.511	HXKLBWHQOUSGNO-MBLJPQSQSA-N	00100010000010110000110000000000000000000000000000000000	22-01-174178
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Fc1ccccc1COC(=O)[C@H]1[C@H]2[C@@H]1[C@](C[C@@H]2Sc1n[nH]cn1)(N)C(=O)OCc1ccccc1F	SCHEMBL14315193,PC-id_71135407	500.518	HMEOJPJONKZGEK-HPGFDKJQSA-N	00100010100010110001010000000000000000000000000000000000	22-01-174183
Fc1cccc(c1)COC(=O)[C@H]1[C@H]2[C@@H]1[C@](C[C@@H]2Sc1n[nH]cn1)(N)C(=O)OCc1cccc(c1)F	SCHEMBL14315196,PC-id_71135410	500.518	WHIPMKLGMWJQBI-HPGFDKJQSA-N	00100010100010110001010000000000000000000000000000000000	22-01-174184
OC(=O)[C@H]1[C@H]2[C@@H]1[C@@](C[C@H]2Sc1nnc[nH]1)(C(=O)O)N(Cc1ccccc1F)Cc1ccccc1F	PC-id_67238330,SCHEMBL13935025	500.518	KRUCWQZYNRQIFW-LJTNYMJHSA-N	00100010100010110001010000000000000000000000000000000000	22-01-174185
S(C1C2C(C2C(=O)OCc2ccc(F)cc2)C(N)(C1)C(=O)OCc1ccc(F)cc1)c1[nH]ncn1	PC-id_77985282	500.518	PGYCKTNQTWORJE-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-174186
S(C1C2C(C2C(=O)OCc2cc(F)ccc2)C(N)(C1)C(=O)OCc1cc(F)ccc1)c1[nH]ncn1	PC-id_78030968	500.518	WHIPMKLGMWJQBI-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-174187
S(C1C2C(C2C(=O)OCc2c(F)cccc2)C(N)(C1)C(=O)OCc1c(F)cccc1)c1[nH]ncn1	PC-id_75989563	500.518	HMEOJPJONKZGEK-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-174188
S(C1C2C(C2C(=O)O)C(N(Cc2c(F)cccc2)Cc2c(F)cccc2)(C1)C(=O)O)c1[nH]ncn1	PC-id_77253033	500.518	KRUCWQZYNRQIFW-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-174189
Cc1cccc(c1)c1c(nc(s1)N)C(=O)N1CC2CC2C1CNC(=O)c1cc(ccc1)C(F)(F)F	PC-id_87456817,SCHEMBL2932667	500.536	BVHKFTJDJBRVHM-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174190
Cc1cccc(c1)c1sc(nc1C(=O)N1C[C@@H]2C([C@H]1CNC(=O)c1cccc(c1)C(F)(F)F)C2)N	SCHEMBL2932673	500.536	BVHKFTJDJBRVHM-LPZUGFHBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-174191
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Cc1nc(c(cc1)c1nc(cs1)C)C(=O)N1CC2C(C2=C)CC1COc1ncc(cc1)C(F)(F)F	PC-id_91223588	500.536	HLAFGDOEUOIEAX-UHFFFAOYSA-N	00100000100010101001110000000000000000000000000000000000	22-01-174194
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CC(=O)OC/C/1=C[C@@H](O)[C@@H](OC(=O)C)/C(=C/[C@@H]2[C@H](C[C@H]1OC(=O)CCc1ccccc1)[C@]2(C)CO)/C	CHEMBL4643077	500.581	HKXJHOWMDPMFKS-JNGXAQFJSA-N	00100000000000110110010000000000000000000000000000000000	22-01-174196
Fc1cc(C(=O)NCC2C3C2CN(C3)Cc2ncc(cc2)Cc2ccccc2)ccc1N1CCOCC1	SCHEMBL4423653,PC-id_69038201	500.607	NALQDSYOKUTAOQ-UHFFFAOYSA-N	00100010000010111001110000000000000000000000000000000000	22-01-174197
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CC1COCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=Cc1ccccn1)C)Cl	PC-id_91240232	510.02	AEAWIGHGHKPALG-UHFFFAOYSA-N	00100000000000101101010000000000000000000000000000000000	22-01-176179
ClC12OC1C[C@H](OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](COC2)C)C)(C)C)/C(=C/c1ncccc1)/C	PC-id_10185858	510.02	AEAWIGHGHKPALG-AXINUAEPSA-N	00100000000000101101010000000000000000000000000000000000	22-01-176180
ClC12OC1C[C@@H](OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@H](O)[C@@H](COC2)C)C)(C)C)/C(=C/c1ncccc1)/C	PC-id_25082584	510.02	AEAWIGHGHKPALG-FKPDPRADSA-N	00100000000000101101010000000000000000000000000000000000	22-01-176181
O=C1O[C@@H](C[C@@H]2O[C@]2(C)CCO[C@@H]([C@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)C(=Cc1ccccn1)Cl	SCHEMBL6994320	510.02	JDPPMSJICLZARI-ZFFMHPNESA-N	00100000000000101101010000000000000000000000000000000000	22-01-176182
O=C(N(c1ccc(nc1)Cl)CC1C2C1CN(C2)C(=O)c1ccc(cc1)C(C)(C)C)Oc1cccs1	SCHEMBL18887166	510.048	ATOLIARAWMDLOV-UHFFFAOYSA-N	00100010100100111000010000000000000000000000000000000000	22-01-176183
CS/C(=CC=Cc1ccc(cc1)Cl)/S(=O)(=O)NC1(C(=O)O)C2C1CCC(O)C/C=CC=C/C2	PC-id_143065253	510.066	RSARIKDUXWCZKB-BENKEKGQSA-N	00100000000000110110010000000000000000000000000000000000	22-01-176184
C[C@@H]1C(C([C@@H]2C(O1)O2)OC)O[C@@H]3C([C@H]4C([C@]4(C(O3)COC5=C(C([C@@H](C(O5)C(O)O)O)O)O)O)O)O	PC-id_148352434	510.158	LITLXTLUQNUMPA-BHFYUTNESA-N	00100000000011000000010000000000000000000000000000000000	22-01-176185
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CCOC(=O)[C@H]1[C@H]2[C@@H]1[C@@](C[C@H]2SC3=NCN=C3)(C(=O)OCC)NC(=O)[C@H](C)NC(=O)OC(C)(C)C	PC-id_160521181	510.215	QUHAQMGSIOMQNE-WTMXIIIISA-N	00100011000010000001010000000000000000000000000000000000	22-01-176187
C[C@@H]1CCC[C@@]([C@H](C(C2C[C@@H]2CCC(CC1)(C)[C@H](C)P)(C)I)C)(C)[C@@H](C)F	PC-id_163963726	510.229	YHGWKKTWMWNYRQ-HUMAYMIBSA-N	00100000000000000100010000000000000000000000000000000000	22-01-176188
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C1CN(CCN1C(=O)C(CO)N)C(=O)NC2=NC(=O)N(C=C2)C3=CC=C(C=C3)CCN4C[C@H]5C(C4)C5N	PC-id_154650698	510.27	LPXOVPCXLXBOAG-GXYLUKSESA-N	00100010000010110001110000000000000000000000000000000000	22-01-176190
C1CN(CCN1C(=O)C(CO)N)C(=O)NC2=NC(=O)N(C=C2)C3=CC=C(C=C3)CN4C[C@@H]5C(C4)C5CN	PC-id_155006292	510.27	PIKKRPHYMJVXKG-SAOGTBAESA-N	00100010000010110001110000000000000000000000000000000000	22-01-176191
CC1CN(CCN1C(=O)NC2=NC(=O)N(C=C2)C3=CC=C(C=C3)CN4CC5C(C4)C5N)C(=O)C(CO)N	PC-id_154650367	510.27	FHXLGVUBETZRKH-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-176192
C[C@@H]1CN(CCN1C(=O)C(CO)N)C(=O)NC2=NC(=O)N(C=C2)C3=CC=C(C=C3)CN4C[C@@H]5C(C4)C5N	PC-id_155006329	510.27	ITGZVKBLFHSDKS-PKTMGVJZSA-N	00100010000010110001110000000000000000000000000000000000	22-01-176193
COCCC([C@@H](O[C@H]1CC([C@@H](CC1N)N)O)OO[C@@]1(CC2C(C2(C(O1)CO)NC(N)N)O)CO)N	PC-id_164048855	510.301	VWSHDQVFYAKUGQ-KXZWIBNGSA-N	00100000000010000000010000000000000000000000000000000000	22-01-176194
CC(C)(C(=O)N1CCN(CC1)C(=O)NC(=NC2=CC=C(C=C2)CCN3CC4C(C3)C4N)/C=CNC=O)N	PC-id_154650829	510.307	NRUUCQVZQHLCPZ-CLFYSBASSA-N	00100010000010110001010000000000000000000000000000000000	22-01-176195
CCOC(=O)[C@@]1(F)[C@H]2[C@@H]1[C@]([C@@H](C2)OC(=O)c1ccc(c(c1)Cl)Cl)(N)C(=O)OCc1ccccc1	PC-id_11409622,SCHEMBL233634	510.339	GGKPBHGEXVCYJH-STDQKEPISA-N	00100010000010110000010000000000000000000000000000000000	22-01-176196
Clc1cc(C(=O)OC2C(N)(C3C(C3(F)C(=O)OCC)C2)C(=O)OCc2ccccc2)ccc1Cl	PC-id_72836044	510.339	GGKPBHGEXVCYJH-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-176197
CC(C)(C)CCCOCCOCCOCCOCCOCCCC(=O)OCC1[C@H]2[C@@H]1CCC#CCC2	PC-id_163875274	510.356	POIAIWYXLGWNCS-ZVBBVAIHSA-N	00100000000000000110010000000000000000000000000000000000	22-01-176198
CCN1CC2C(C1)C2CN(Cc1cc(ccc1)OC(F)(F)F)C(=O)Oc1nsc(c1Cl)Cl	SCHEMBL15967350,PC-id_90353669	510.357	HWZIMJNCHOCPHY-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-176199
ICC1(OC(=O)[C@]2(O[C@@]12Cc1ccccc1)Cc1ccccc1)Cc1ccccc1	PC-id_71551785	510.363	UFMSSWMHIJSTLC-KBEVGPIXSA-N	00100010000000110000010000000000000000000000000000000000	22-01-176200
ICC1(OC(=O)C2(OC12Cc1ccccc1)Cc1ccccc1)Cc1ccccc1	PC-id_78109056	510.363	UFMSSWMHIJSTLC-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-176201
FC(F)(OC(=O)C1CC2(OC2CC1)C)C(F)(F)C(F)(F)C(F)(F)OC(=O)C1CC2(OC2CC1)C	PC-id_58895085,SCHEMBL14483976	510.372	SGLXXGUNSCMYCN-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-176202
FC(F)(OC(=O)C1CC2OC2(CC1)C)C(F)(F)C(F)(F)C(F)(F)OC(=O)C1CC2OC2(CC1)C	SCHEMBL12856987,PC-id_58895075	510.372	YEQCQMIEDCDDNC-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-176203
CC(C)C1C2CC2CCN1CCOC(=O)NCCCCCCNC(=O)OCCN3CCOC3C(C)C	PC-id_148322345	510.378	LDEYHHGQEAAYQY-UHFFFAOYSA-N	00100010000010000001010000000000000000000000000000000000	22-01-176204
Brc1ccc(cc1)S(=O)(=O)N1CC2C(C1)C2CNc1ccc(c(c1)F)N1CCOCC1	SCHEMBL4414933,PC-id_69034495	510.42	DPJCKIAYFLGJEP-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-176205
Brc1ccc(c(n1)NC(=O)[C@@H]1C[C@@]2([C@H](N1C(=O)OC(C)(C)C)C2)COC1CCCCO1)C	PC-id_142420912	510.421	DFCNFFCHVQDHBX-HMEYJTGQSA-N	00100010000010101000010000000000000000000000000000000000	22-01-176206
Brc1cccc(c1)C(=O)NCC1C2CC2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL2928167,PC-id_68444273	510.446	AMFPXEDRITUZLS-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176207
Brc1cccc(c1)C(=O)NCC1CC2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081605,SCHEMBL1572542	510.446	FTOZLHKBGJHVNK-MNLRITNHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176208
Brc1ccc(cc1)C(=O)NC[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_66998149,SCHEMBL1338783	510.446	LUQZWCSXQGZEMD-MNBHBKLXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176209
Brc1cccc(c1)C(=O)NC[C@@H]1C2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_68445015,SCHEMBL2930062	510.446	AMFPXEDRITUZLS-TXZDUHFLSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176210
Brc1cccc(c1)C(=O)NC[C@@H]1C2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	SCHEMBL1340137,PC-id_66998700	510.446	AMFPXEDRITUZLS-MNBHBKLXSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176211
Brc1ccc(cc1)C(=O)NC[C@@H]1C[C@@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081524,SCHEMBL1572389	510.446	ACOJYPMVTHKIPR-JBACZVJFSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176212
Brc1cccc(c1)C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1572295,PC-id_67081469	510.446	FTOZLHKBGJHVNK-GIVPXCGWSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176213
Brc1cccc(c1)C(=O)NC[C@@H]1C[C@@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1572298,PC-id_67081471	510.446	FTOZLHKBGJHVNK-JBACZVJFSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176214
Brc1ccc(cc1)C(=O)NC[C@@H]1C[C@H]2[C@@H](N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1572384,PC-id_67081521	510.446	ACOJYPMVTHKIPR-GIVPXCGWSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176215
Brc1cccc(c1)C(=O)NC[C@@H]1C[C@H]2C(N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	PC-id_67081473,SCHEMBL1572300	510.446	FTOZLHKBGJHVNK-LGWYJFNUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176216
Brc1ccc(cc1)C(=O)NC[C@@H]1C[C@H]2C(N1C(=O)c1nc(sc1c1cccc(c1)C)C)C2	SCHEMBL1572390,PC-id_67081525	510.446	ACOJYPMVTHKIPR-LGWYJFNUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176217
Brc1cccc(c1)C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_24816054,SCHEMBL2928168	510.446	AMFPXEDRITUZLS-HMXCVIKNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176218
Brc1cccc(c1)C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_25182997,SCHEMBL1340135	510.446	AMFPXEDRITUZLS-SESVDKBCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176219
Brc1ccc(cc1)C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(sc1c1cccc(c1)C)C	PC-id_66998147,SCHEMBL1338781	510.446	LUQZWCSXQGZEMD-SESVDKBCSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176220
Brc1ccc(C(=O)NCC2N(C3C(C3)C2)C(=O)c2nc(sc2c2cc(ccc2)C)C)cc1	PC-id_77223023	510.446	ACOJYPMVTHKIPR-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176221
Brc1ccc(C(=O)NCC2N(CC3C2C3)C(=O)c2nc(sc2c2cc(ccc2)C)C)cc1	PC-id_77247752	510.446	LUQZWCSXQGZEMD-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176222
Brc1cc(C(=O)NCC2N(C3C(C3)C2)C(=O)c2nc(sc2c2cc(ccc2)C)C)ccc1	PC-id_77223002	510.446	FTOZLHKBGJHVNK-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176223
Brc1cc(C(=O)NC[C@@H]2N(C[C@H]3[C@@H]2C3)C(=O)c2nc(sc2c2cc(ccc2)C)C)ccc1	PC-id_57489193	510.446	AMFPXEDRITUZLS-JBACZVJFSA-N	00100010100000110001110000000000000000000000000000000000	22-01-176224
BrC1CC2C(C2(C)C)CC1(OC1C(N(C1=O)c1ccc(OC)cc1)C=Cc1ccccc1)C	PC-id_72963520	510.463	SQZHJZJQSXOGPS-UHFFFAOYSA-N	00101000000010110000110000000000000000000000000000000000	22-01-176225
Br[C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(O[C@@H]1[C@@H](N(C1=O)c1ccc(OC)cc1)/C=C/c1ccccc1)C	PC-id_11443606	510.463	SQZHJZJQSXOGPS-LRCNQMKVSA-N	00101000000010110000110000000000000000000000000000000000	22-01-176226
B(CC(C(C)C)NC(=O)C12C(CCCCCCCCCCCCC1N2)CCN=C(N)N[N+](=O)[O-])(O)O	PC-id_87487218	510.478	HPQZRKORWCWTGX-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-176227
[O-][N+](=O)NC(=N)NCCC1CCCCCCCCCCCCC2C1(N2)C(=O)N[C@H](C(C)C)CB(O)O	SCHEMBL3160568	510.478	HPQZRKORWCWTGX-ZIBRVTKESA-N	00100000000000000100010000000000000000000000000000000000	22-01-176228
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O=C(Cc1nc(C)nc(c1C1OCCO1)N[C@@H](c1cccc(c1F)C(F)(F)F)C)N[C@@H]1[C@@H]2[C@H]1COC2	SCHEMBL21132872	510.481	YUBVZPLWFHRRQM-HCZJVJLPSA-N	00100010000000110001110000000000000000000000000000000000	22-01-176230
O=C(C1CC2OC2CC1C(=O)OCC1OC1)OCCOC(=O)C1CC2OC2CC1C(=O)OCC1OC1	PC-id_101310750	510.488	OIQXAURYNWYWPQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-176231
C/C=CC(C(=O)N[C@@H](C(=O)N(C(C(=O)N(C12CC1CN(C2=O)C(=N)N)C)CC(=O)O)C)CC(=O)O)O	PC-id_144619173	510.498	CEFNXNKSDVOEDJ-YOUFDGSBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-176232
CCOC(Cc1ccc(cc1)OCCNC1C2C1CN(C2)Cc1c(ccc(c1)C(F)(F)F)F)C(=O)O	PC-id_87723772	510.521	QZXJUXPJXWQCBZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-176233
CCOC(Cc1ccc(cc1)OCCNC1C2C1CN(C2)Cc1c(ccc(c1)F)C(F)(F)F)C(=O)O	PC-id_87723764	510.521	YBCFGSWRVHTWMA-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-176234
CC(C)[C@H]1C[C@H]2O[C@@]2(C)[C@@H](O)[C@H]1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O	PC-id_118717419,CHEMBL3343913	510.531	UXLCBPMPXLGLDJ-CJHIRYEVSA-N	00100000000010110000010000000000000000000000000000000000	22-01-176235
CC(C)(C)OC(=O)N1CCC2(CC2C1)COc1ncnc(c1F)Nc1c(cc(cc1)S(=O)(=O)C)F	PC-id_89898577,SCHEMBL15381383	510.554	CXNUSAQJBPORMV-UHFFFAOYSA-N	00100000000010110001010000000000000000000000000000000000	22-01-176236
CC[C@@H]([C@@H](C(=O)[C@@H]1C2OC2NC(=O)[C@H]1C)NC(=O)C[C@@H](c1ccccc1)NC(=O)c1cccc(n1)F)C	PC-id_142867242	510.557	GNKRIBSDIMPOHJ-PXCVSEDJSA-N	00100000000010111000010000000000000000000000000000000000	22-01-176237
COC(=O)[C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CS(=O)(=O)[C@@H]2[C@H]1[C@H]2C(=O)OC	PC-id_59712871,SCHEMBL14191421	510.557	FVQSIAKZMSTNRD-XKLUSODASA-N	00100010000010110000010000000000000000000000000000000000	22-01-176238
COC(=O)[C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CS(=O)(=O)[C@@H]2[C@H]1[C@H]2C(=O)OC	PC-id_66902480,SCHEMBL1087702	510.557	FVQSIAKZMSTNRD-VGUBZJERSA-N	00100010000010110000010000000000000000000000000000000000	22-01-176239
O=COC[C@H]1[C@H]2[C@@H]1[C@](CS2(=O)=O)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC	SCHEMBL1101483,PC-id_58403650	510.557	ICQGYXMNRCKDRL-MIPVUQNLSA-N	00100010000010110000010000000000000000000000000000000000	22-01-176240
S1(=O)(=O)C2C(C2COC=O)C(NC(=O)C(NC(=O)OC(C)(C)C)Cc2ccccc2)(C1)C(=O)OC	PC-id_76777621	510.557	ICQGYXMNRCKDRL-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-176241
S1(=O)(=O)C2C(C2C(=O)OC)C(NC(=O)C(NC(=O)OC(C)(C)C)Cc2ccccc2)(C1)C(=O)OC	PC-id_72365580	510.557	FVQSIAKZMSTNRD-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-176242
CCCCOC(=O)C1CC2OC2CC1C(=O)OCCOC(=O)C1CC2OC2CC1C(=O)OCCCC	PC-id_101310611	510.574	NEQQCNFDJIJRRE-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-176243
O=C(c1ccc(cc1)OCOCC1CCC2C(C1)O2)Oc1ccc(cc1)OCOCC1CCC2C(C1)O2	PC-id_117649918,SCHEMBL16172290	510.575	AXVRLOFEPGRPDF-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-176245
CCCCC(/C=C(/C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@H]2[C@@H](C1=O)O2)C)C	PC-id_122706382	510.579	ZGICGDCGECBVTD-ULNOGCHZSA-N	00100011000011000000010000000000000000000000000000000000	22-01-176246
CCCC[C@@H](C)C=C(C)C(=O)NC1=C[C@]([C@H]2[C@@H](C1=O)O2)(C=CC=CC=CC(=O)NC1=C(CCC1=O)O)O	MCULE-2321577441	510.579	ZGICGDCGECBVTD-UPVOJFSLSA-N	00100011000011000000010000000000000000000000000000000000	22-01-176247
CCCC[C@@H](C)/C=C(C)/C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O	PC-id_9870986,EMOLS-id_46013630	510.579	ZGICGDCGECBVTD-LOWJZYKPSA-N	00100011000011000000010000000000000000000000000000000000	22-01-176248
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CCCC(Cc1cc(ccc1C(CCC)C)Cc1cccc(c1)C=C)CCCC(=C)CC1[C@@H]2S1(C2C)C	SCHEMBL18976889	516.863	RDEDOWHBPQKZTB-RCIIIJFPSA-N	00101000000000110000010000000000000000000000000000000000	22-01-177065
[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(CCC1CC2OC2CC1)C)(CCC1CC2OC2CC1)C	PC-id_10864215	516.923	NRCMSIWTMJQKRN-UHFFFAOYSA-N	00100000000010000101010000000000000000000000000000000000	22-01-177066
CCCCCCCCCCC(C(C(CC1CCCCC1CCC)C)(CCC)C)(CC12CCCC1N2)CN	PC-id_117907561,SCHEMBL16512231	516.928	VFXIOZBTRCUCJT-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-177067
Fc1cccnc1c1ccc(Cl)c(c1)C(=O)Nc1cc(nn1c1ccccc1)C(=O)N[C@H]1[C@H]2CNC[C@@H]12	BindingDB-id_396371	516.954	UCLIVVAOXRQBHH-HBNMSFMJSA-N	00100010100000111001110000000000000000000000000000000000	22-01-177068
O=C(c1cc(ccc1Cl)c1ncccc1F)Nc1cc(nn1c1ccccc1)C(=O)NC1[C@@H]2[C@H]1CNC2	BindingDB_PC-id_126962787	516.954	UCLIVVAOXRQBHH-OOEJVQDLSA-N	00100010100000111001110000000000000000000000000000000000	22-01-177069
CCC(=O)OCOC(=O)[C@@H]1[C@H](CSc2ccc(c(c2)Cl)F)C[C@@H]2[C@H]1[C@H]2C(=O)OCOC(=O)CC	SCHEMBL19366530	516.964	IGMSNDAXJBIUBK-XRRCMHFQSA-N	00100010000010110000010000000000000000000000000000000000	22-01-177070
C[SiH](O[Si](O[Si](CCC1CCC2C(C1)O2)(C)C)(O[Si](CCC1CCC2C(C1)C2)(C)C)O)C	PC-id_57822866,SCHEMBL12570124	516.966	COYXQCOFYOLRAS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-177071
CCCN1CC2C(C1)C2CN(C(=O)c1ncn(c1)c1ccc(cc1)C(F)(F)F)Cc1cccc(c1)Cl	SCHEMBL6104591,PC-id_69665813	516.986	IFVIBFOMCGYNDM-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177072
CC1C(C(OCCC2(C(O2)CC(NC(=O)CC(C(C1=O)(C)C)O)C(=Cc1coc(n1)C)F)Cl)C)O	PC-id_88079923	516.987	SEGQEWQPZQVXKQ-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-177073
ClC12OC1C[C@H](NC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](COC2)C)C)(C)C)/C(=C/c1nc(oc1)C)/F	PC-id_10208029	516.987	FKTAAJWGONDAKP-MZEYRURXSA-N	00100000100000000101010000000000000000000000000000000000	22-01-177074
O=C1N[C@@H](C[C@@H]2O[C@]2(Cl)CCO[C@H]([C@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)C(=Cc1coc(n1)C)F	SCHEMBL7049319	516.987	SEGQEWQPZQVXKQ-KYWUJTBPSA-N	00100000100000000101010000000000000000000000000000000000	22-01-177075
O=C1N[C@@H](C[C@H]2O[C@@]2(Cl)CCO[C@H]([C@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)C(=Cc1coc(n1)C)F	SCHEMBL7051718	516.987	SEGQEWQPZQVXKQ-BXBQGSSDSA-N	00100000100000000101010000000000000000000000000000000000	22-01-177076
CS(=O)(=O)N1CCN[C@@H](C1)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC(C1CC1)c1cc(c(cc1F)Cl)F	SCHEMBL20791399,PC-id_137544648	516.989	QQKVVXXJKRKADI-BINQYXRRSA-N	00100010000010110001010000000000000000000000000000000000	22-01-177077
CS(=O)(=O)N1CCN[C@@H](C1)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](C1CC1)c1cc(c(cc1F)Cl)F	SCHEMBL20791397,PC-id_137544645	516.989	QQKVVXXJKRKADI-RQFYLMDBSA-N	00100010000010110001010000000000000000000000000000000000	22-01-177078
C=C1/C=CC=C/CN(CCC2C1C2(NS(=O)c1ccc(s1)c1ccc(cc1)Cl)C(=O)O)C(=O)C	PC-id_143065437	517.06	OHMPTQSNMUKVOM-GLIMQPGKSA-N	00100000100100110110110000000000000000000000000000000000	22-01-177079
ClC(=Cc1ncccc1)C1NC(=O)CCC(C(=O)CCC(CCCC2(OC2(CC2OC2)C1)C)C)(C)C	PC-id_54305702	517.1	SHIHEBTYDWTXSF-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-177080
CCCCC12CC(NC(=O)CCC(C)(C)C(=O)CCC(CCCC2(O1)C)C)C(=Cc1ccccn1)Cl	SCHEMBL7771843,PC-id_88199362	517.143	LPUAKVZWPGMCLU-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-177081
CC1=CC(=C(C=C1F)[C@@H](C2CC2)NC(=O)[C@H]3C[C@H]4C[C@H]4C3C(=O)C5=C(C=CC(=C5)S(=O)(=O)C)CO)F	PC-id_165042727	517.173	OJVGXGKEKGSWLY-LQEUDEFFSA-N	00100010000010110000010000000000000000000000000000000000	22-01-177082
C1CC(N(C1)C(=O)CNC(=O)OCc1ccccc1)C(=O)N=C(/C=CN[C@@]12CC1(C(=C(O2)CO)O)F)N	PC-id_163800289	517.197	NEIUQYBNIDCMGR-LONGZEACSA-N	00100011000000110000010000000000000000000000000000000000	22-01-177083
BrC(=CC1C2(C1(C2C(=O)OC(c1cc(Oc2ccccc2)ccc1)C#N)C)C)Br	PC-id_60119114	517.21	YBBXENAJUDYZTF-UHFFFAOYSA-N	00101000000000110000010000000000000000000000000000000000	22-01-177084
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1C2(C1([C@H]2C=C(Br)Br)C)C	SCHEMBL17849159	517.21	YBBXENAJUDYZTF-MERSPSMRSA-N	00101000000000110000010000000000000000000000000000000000	22-01-177085
CC1(C2C1(CN([C@@H]2C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)F)C	PC-id_165179488	517.231	HDWISBWOJLMEQZ-UYIRTFTRSA-N	00100010000000000000010000000000000000000000000000000000	22-01-177086
CC1(C2C1C(N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)N)C	PC-id_164701800	517.251	OOGWLUVPYYAXCE-DBHCIVLDSA-N	00100010000000000000010000000000000000000000000000000000	22-01-177087
C#CCOCc1ccc(nc1NC(=O)[C@@H]1C[C@]2([C@@](N1)(C2)OC(=O)C(F)(F)F)CN=[N+]=[N-])Br	SCHEMBL20488956,PC-id_135319066	517.257	NGBUAXOBKZSOJA-YMRXKLBXSA-N	00100010000000101000010000000000000000000000000000000000	22-01-177088
CCOC(=O)CCCN1CC2C(C1)C2C#CC3=CC=C(C=C3)C4=CC(=NO4)[C@@H](CN)N5C=CN=C5[C@H](C)O	PC-id_153592940	517.269	IANASYACPIHXHC-BEBHIRHTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177089
C/C=C
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CC(C)C(=O)CN1CCN(CC1COC(=O)C(C)C)C(=O)CCNC(=O)OCC2[C@H]3[C@@H]2CCC#CCC3	PC-id_155069957	517.315	STFJFGXITIVVJR-VVTBANEOSA-N	00100000000010000111010000000000000000000000000000000000	22-01-177091
CC(=O)C(=O)C(CC1CCC1)CC(=O)[C@@H]2C3C(C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C	PC-id_147152185	517.352	BUFAIJHZHIVJEI-WZTOTOGCSA-N	00101010000000000000010000000000000000000000000000000000	22-01-177094
CC(=O)N[C@H]1[C@H]2[C@@H]([C@H]2[C@]([C@@H]1OCc1ccc(c(c1)Cl)Cl)(NC(=O)OC(C)(C)C)C(=O)O)C(=O)O	SCHEMBL6120834,PC-id_69672573	517.356	RSDYWNFHRRBZLK-RUUBXPMMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-177095
Clc1cc(COC2C(NC(=O)OC(C)(C)C)(C3C(C3C(=O)O)C2NC(=O)C)C(=O)O)ccc1Cl	PC-id_77699289	517.356	RSDYWNFHRRBZLK-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-177096
CC(=O)C(C(CC1CCC1)CC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)C(CC(=O)CC(C)(C)C)C(C)(C)C)O	PC-id_161805360	517.377	XTFOZGLEKXCUTH-HSYTUJMESA-N	00101010000000000000010000000000000000000000000000000000	22-01-177097
COC(=O)[C@]12C(=CC[C@H]1[C@H]2COP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)C(=O)O	PC-id_101445607	517.381	MTHFIZLOXGPIDN-BFWLOYGRSA-N	00100011000000100001110000000000000000000000000000000000	22-01-177098
P(=O)(OC[C@@H]1[C@]2([C@@H]1CC=C2C(=O)O)C(=O)OC)(OC[C@H]1O[C@@H](n2ccc(nc2=O)N)[C@H](O)[C@@H]1O)O	PC-id_24769905	517.381	MTHFIZLOXGPIDN-OICDRTPVSA-N	00100011000000100001110000000000000000000000000000000000	22-01-177099
OCC([C@H](C(O[C@H](C(C(=O)O)OC(OC1[C@H](O)C(CO)OC2([C@H]1N2C(=O)C)OC)(O)O)C)O)O)O	SCHEMBL19498695	517.436	SOBKMJACHMPKCY-MNMFVFFDSA-N	00100000000010000000010000000000000000000000000000000000	22-01-177100
N[C@H](C(=O)N1C2C1/C(=Cc1ccc(c(c1)C)C)/C(=O)/C/2=C/c1ccc(c(c1)Cl)Cl)Cc1ccccc1	PC-id_144744041	517.446	DNAPDIIEYNMBSC-GCLGEGGMSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177101
ClC1(Cl)C2C1CN(C2C(=O)NC(CC1CCC1)C(=O)C(=O)N)C(=O)C(NC(C)(C)C)C(C)(C)C	PC-id_72417003	517.489	UHZSXMACFGZAOJ-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-177102
ClC1(Cl)[C@H]2[C@@H]1CN([C@@H]2C(=O)NC(CC1CCC1)C(=O)C(=O)N)C(=O)[C@@H](NC(C)(C)C)C(C)(C)C	PC-id_58766813	517.489	UHZSXMACFGZAOJ-VGDGAYLZSA-N	00101010000000000000010000000000000000000000000000000000	22-01-177103
Cn1cc(nc1)OC(=O)N(CC1C2C1CN(C2)Cc1cccc(=O)[nH]1)Cc1cc(ccc1)OC(F)(F)F	SCHEMBL15967262,PC-id_90353581	517.5	FNBABDYIMFZLCU-UHFFFAOYSA-N	00100010100000111001010000000000000000000000000000000000	22-01-177104
FC(F)(F)Oc1cc(CN(CC2C3C2CN(C3)CC(=O)Nc2[nH]ccn2)C(=O)c2ncn(c2)C)ccc1	PC-id_69665936,SCHEMBL6105002	517.504	SPRQDNPYHJBOLY-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177105
OCC(C(C12OP1(=O)O2)(O)O)(CCc1ccc(c(c1F)Sc1cccc(c1)C)c1ccccc1)N	PC-id_141610066	517.506	NQXGWRMSXADRTE-UHFFFAOYSA-N	00100000000000110001110000000000000000000000000000000000	22-01-177106
OCC(C(C12OP1(=O)O2)(O)O)(CCc1ccc(c(c1F)Sc1ccc(cc1)C)c1ccccc1)N	PC-id_141610067	517.506	ZYZVUUYGYJVUSB-UHFFFAOYSA-N	00100000000000110001110000000000000000000000000000000000	22-01-177107
C1CC1C(c1c(cc(cc1)C(F)(F)F)F)NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)c1cc(ccc1)C1(CNC1)O	PC-id_137544185,SCHEMBL20790910	517.515	QZBYEJPAZZBEQV-FQKMWWRMSA-N	00101010000000110000110000000000000000000000000000000000	22-01-177108
C1CC1[C@H](c1c(cc(cc1)C(F)(F)F)F)NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)c1cc(ccc1)C1(CNC1)O	PC-id_137544183,SCHEMBL20790908	517.515	QZBYEJPAZZBEQV-HKDUHGGJSA-N	00101010000000110000110000000000000000000000000000000000	22-01-177109
NC(=O)C1CC2C(N1C(=O)c1cccc(c1)C1(O)CNC1)(C2)[C@@H](c1ccc(cc1F)C(F)(F)F)C1CC1	PC-id_141645221	517.515	QNOPIYZDCTVOPF-BRGCHZFQSA-N	00101010000000110000110000000000000000000000000000000000	22-01-177110
Fc1c(CC23C(C2C(=O)O)C(O)C(C3(NC(=O)OC(C)(C)C)C(=O)O)Cc2c(F)cccc2)cccc1	PC-id_77253030	517.518	QABLMXOHGGOVCG-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-177111
Fc1c(C[C@]23[C@@H]([C@H]2C(=O)O)[C@@H](O)C([C@@]3(NC(=O)OC(C)(C)C)C(=O)O)Cc2c(F)cccc2)cccc1	PC-id_67238320,SCHEMBL1987810	517.518	QABLMXOHGGOVCG-CUHOSXSYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-177112
Fc1c(C[C@]23[C@@H]([C@H]2C(=O)O)[C@H](O)C([C@@]3(NC(=O)OC(C)(C)C)C(=O)O)Cc2c(F)cccc2)cccc1	SCHEMBL1987968,PC-id_67238364	517.518	QABLMXOHGGOVCG-ZXZIISQVSA-N	00100010000010110000010000000000000000000000000000000000	22-01-177113
Fc1c(COC(=O)C2C3C2C(O)CC3(NC(=O)OC(C)(C)C)C(=O)OCc2c(F)cccc2)cccc1	PC-id_76759653	517.518	BKWMDQGBBXKVAY-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-177114
Fc1c(COC(=O)[C@@H]2[C@@H]3[C@H]2[C@H](O)C[C@@]3(NC(=O)OC(C)(C)C)C(=O)OCc2c(F)cccc2)cccc1	PC-id_67238319,SCHEMBL1987807	517.518	BKWMDQGBBXKVAY-HKVSAHRDSA-N	00100010000010110000010000000000000000000000000000000000	22-01-177115
Fc1c(COC(=O)[C@@H]2[C@@H]3[C@H]2[C@@H](O)C[C@@]3(NC(=O)OC(C)(C)C)C(=O)OCc2c(F)cccc2)cccc1	SCHEMBL1987966,PC-id_58319587	517.518	BKWMDQGBBXKVAY-NOVLSDETSA-N	00100010000010110000010000000000000000000000000000000000	22-01-177116
CCOC(=O)OCCOC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(NC(=O)OC(C)(C)C)C(=O)OCCOC(=O)OCC	SCHEMBL6702436,PC-id_69871978	517.523	ILTSEGBSVXLNAV-YQSSMULNSA-N	00100010000010000000010000000000000000000000000000000000	22-01-177117
CCOC(=O)OC(OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(NC(=O)OC(C)(C)C)C(=O)OC(OC(=O)OCC)C)C	SCHEMBL8358427,PC-id_60131596	517.523	BKDYDFJKOQOJDG-YQUQUXAHSA-N	00100010000010000000010000000000000000000000000000000000	22-01-177118
O(C(=O)C1C2C1CCC2(NC(=O)OC(C)(C)C)C(=O)OCCOC(=O)OCC)CCOC(=O)OCC	PC-id_77734679	517.523	ILTSEGBSVXLNAV-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-177119
O(C(=O)C1C2C1CCC2(NC(=O)OC(C)(C)C)C(=O)OC(OC(=O)OCC)C)C(OC(=O)OCC)C	PC-id_72658723	517.523	BKDYDFJKOQOJDG-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-177120
O(C(=O)C1C2C1CCC2(NC(=O)OC(C)(C)C)C(=O)OCOC(=O)OC(C)C)COC(=O)OC(C)C	PC-id_72658745	517.523	LDFFCCDDOMFKCU-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-177121
O(C(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)OCOC(=O)OC(C)C)COC(=O)OC(C)C	PC-id_60131618	517.523	LDFFCCDDOMFKCU-YQSSMULNSA-N	00100010000010000000010000000000000000000000000000000000	22-01-177122
Nc1ncncc1OCC1CCN(CC1)c1cc(nc(OCC2CC2(F)F)n1)C(=O)N[C@@H]1[C@H]2COC[C@@H]12	BindingDB-id_574193,SCHEMBL17837819	517.528	VGFJCCDCMSOEFQ-XDSSIVLFSA-N	00100010000010100001110000000000000000000000000000000000	22-01-177123
O=C(c1cc(nc(n1)OCC1CC1(F)F)N1CCC(CC1)COc1cncnc1N)NC1[C@@H]2[C@H]1COC2	PC-id_121409403,BindingDB_PC-id_121409403	517.528	VGFJCCDCMSOEFQ-QKSYQBNISA-N	00100010000010100001110000000000000000000000000000000000	22-01-177124
CCOC(=O)[C@@H](Cc1ccc(cc1)OCCN[C@@H]1[C@@H]2C1CN(C2)Cc1ccc(cc1)OC(F)(F)F)C#N	SCHEMBL4758435	517.54	SUZBMHQFHDFZRZ-DUVKWUITSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177125
FC(F)(F)Oc1ccc(CN2CC3C(C3NCCOc3ccc(cc3)CC(C(=O)OCC)C#N)C2)cc1	PC-id_74325075	517.54	SUZBMHQFHDFZRZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177126
CCOC(=O)C1=CN(C(=O)c2ccccc2)[C@@H]2[C@@H]([C@@H]1Cc1ccccc1)C2(Br)Br	ZINC22_101669815,PC-id_98230615	519.226	VUGVPJHIFSWGRL-MISYRCLQSA-N	00100000000011110000010000000000000000000000000000000000	22-01-177431
FC(F)(F)Oc1ccc(CN2CC3[C@@H](C3NCCOc3ccc(cc3)C[C@H](C(=O)OCC)C#N)C2)cc1	PC-id_69177300	517.54	SUZBMHQFHDFZRZ-JWLGTRHOSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177127
FC(F)(F)Oc1ccc(CN2C[C@@H]3[C@@H](C3NCCOc3ccc(cc3)CC(C(=O)OCC)C#N)C2)cc1	PC-id_24821467	517.54	SUZBMHQFHDFZRZ-CDRNTZKQSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177128
FC(F)(F)CCC(NC(=O)C1N(CC2C1C2(C)C)C(=O)C(NC(=O)N)C1CCCCC1)C(=O)C(=O)N	PC-id_77826134	517.542	FVIAEFMRJCBEHN-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-177129
FC(F)(F)CCC(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@@H](NC(=O)N)C1CCCCC1)C(=O)C(=O)N	SCHEMBL8279506,PC-id_70331382	517.542	FVIAEFMRJCBEHN-AOWBMEDYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-177130
C/C=C/1C(=C/C(=C)OCc2cc(ccc2F)c2cnc(cc2C(F)(F)F)OCCC(O)(C)C)CC2C1C2	PC-id_144566090	517.555	OJTLNUJABFCFQM-CUEDTMAESA-N	00100010000000111000110000000000000000000000000000000000	22-01-177131
C1C2C(C2CN(Cc2cc(ccc2)OC(F)(F)F)C(=O)Oc2cscn2)CN1CCc1ccccc1	PC-id_90353551,SCHEMBL15967229	517.563	FMIWMTWLLJKWID-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177132
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CC(C(=O)OC1(CCCC1)C1CCCC1)(C12N[I]1N2)[I-]C	PC-id_164169952	519.001	ISAGRMLIYUVGDS-UHFFFAOYSA-N	00100010000000000001110000000000000000000000000000000000	22-01-177406
C[I-]C(C(=O)OC1(CCCCC1)C1CCCC1)C12N[I]1N2	PC-id_163668389	519.001	YKVDQONVTXFHGH-UHFFFAOYSA-N	00100010000010000001110000000000000000000000000000000000	22-01-177407
CCN(/C=C(/[C@H]
C[C@@H]2C[C@@H]2N([I-]CC/C=C1)CO)N)NI	PC-id_163569334	519.012	ZICZYPPFSNPKIS-VWMIPPCNSA-N	00100000000000000111010000000000000000000000000000000000	22-01-177408
ClC(Cl)(Cl)C(=O)NC1C2OC2CC(O[Si](C(C)(C)C)(C)C)C1O[Si](C(C)(C)C)(C)C	PC-id_73113674	519.05	XZDLVRMOZWPOJY-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-177409
ClC(Cl)(Cl)C(=O)N[C@H]1[C@H]2O[C@H]2C[C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O[Si](C(C)(C)C)(C)C	PC-id_11813313	519.05	XZDLVRMOZWPOJY-QXKUPLGCSA-N	00100000000010000000010000000000000000000000000000000000	22-01-177410
C1[C@H]2[C@@H]1C([C@@H](C2)C(=O)CCC3=CC(=NC=N3)C4=CN=C(C=C4)C(F)(F)F)S(=O)(=O)C5=CC=C(C=C5)F	PC-id_147956328	519.124	IOPHPLYZAIHKQJ-PWZQAIRCSA-N	00100010000010111001110000000000000000000000000000000000	22-01-177411
CCC1CC(CC2[C@H]1N2C(=O)c1c(cccc1F)c1ncccn1)Nc1c(cc(cn1)C(F)(F)F)Cl	PC-id_163694024	519.145	JVKBXRKGDZNBBE-ANCXDIDMSA-N	00100000000010111001110000000000000000000000000000000000	22-01-177412
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)Cl	SCHEMBL608678,PC-id_66742236	519.15	AJWPMICNMUMYJG-SGNDLWITSA-N	00100000000010111000010000000000000000000000000000000000	22-01-177413
Clc1c(nc(cc1)C)C(=O)N1CC2C(C2)CC1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_77183556	519.15	AJWPMICNMUMYJG-UHFFFAOYSA-N	00100000000010111000010000000000000000000000000000000000	22-01-177414
CC1=C(C=C(C=C1)CN2CC3C(C2)C3CC4=C(N=C(S4)CC5=CC(=CC=C5)OC(F)(F)F)C(=O)N)F	PC-id_152574654	519.16	YSFJIQDYXWDHKM-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177415
CC1(C2C1C(N(C2)C(=O)[C@H](C3=CC=CC=C3)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C#N)C	PC-id_164701732	519.209	NUEINTSYLICNLR-NJMDGFBDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177416
CC(C)(C)C1=NC=CC(=C1)C(=O)N2C(CC3C2(C3)[C@H](C4COC4)C5=C(C=C(C=C5)C(F)(F)F)F)C(=O)N	PC-id_154606380	519.215	QADVFNIFSZPUDF-ORJSCZCBSA-N	00101010000000111000010000000000000000000000000000000000	22-01-177417
C/C=C
/[C@@H]2CC2C/C1=C/C(=C)OCC3=C(C=CC(=C3)C4=C(C=C(C=C4F)OCCCNC)C(F)(F)F)F	PC-id_155148986	519.22	FRZJCKALVNXLFB-GPOPYOEYSA-N	00100010000000110000110000000000000000000000000000000000	22-01-177418
C/C=C/CC/C(=CC)/C(=N)N=C(C1CC=C(C=C1)Br)N=C(C)CCCC(=C)C23C[C@@H]2C=CC=C3	PC-id_154947975	519.225	TULSTMLZTQOUBD-GNNDUPMISA-N	00100000000011000000010000000000000000000000000000000000	22-01-177419
BrC1(Br)C2C1N(C=C(C2Cc1ccccc1)C(=O)OCC)C(=O)c1ccccc1	PC-id_4995004,MCULE-4547481161	519.226	VUGVPJHIFSWGRL-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-177420
BrC1(Br)[C@H]2[C@@H]1N(C=C([C@@H]2Cc1ccccc1)C(=O)OCC)C(=O)c1ccccc1	PC-id_10815795	519.226	VUGVPJHIFSWGRL-SXLOBPIMSA-N	00100000000011110000010000000000000000000000000000000000	22-01-177421
BrC1(Br)[C@H]2[C@@H]1N(C=C([C@H]2Cc1ccccc1)C(=O)OCC)C(=O)c1ccccc1	PC-id_40817515	519.226	VUGVPJHIFSWGRL-RLLQIKCJSA-N	00100000000011110000010000000000000000000000000000000000	22-01-177422
BrC1(C2C1N(C=CC2(Cc1ccccc1)C(=O)OCC)C(=O)c1ccccc1)Br	MCULE-4373908732,PC-id_4611191	519.226	RHBCGXBNESURMI-UHFFFAOYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-177423
CCOC(=O)[C@]1(Cc2ccccc2)C=CN(C(=O)c2ccccc2)[C@H]2[C@@H]1C2(Br)Br	PC-id_10839664,ZINC22_19908718	519.226	RHBCGXBNESURMI-IPJJNNNSSA-N	00100000000011110000010000000000000000000000000000000000	22-01-177424
CCOC(=O)[C@]1(Cc2ccccc2)C=CN(C(=O)c2ccccc2)[C@@H]2[C@@H]1C2(Br)Br	PC-id_98130002,ZINC22_100696387	519.226	RHBCGXBNESURMI-JQVVWYNYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-177425
CCOC(=O)[C@@]1(Cc2ccccc2)C=CN(C(=O)c2ccccc2)[C@@H]2[C@@H]1C2(Br)Br	ZINC22_100696391,PC-id_98130003	519.226	RHBCGXBNESURMI-NNMXDRDESA-N	00100000000011110000010000000000000000000000000000000000	22-01-177426
CCOC(=O)[C@@]1(Cc2ccccc2)C=CN(C(=O)c2ccccc2)[C@H]2[C@@H]1C2(Br)Br	ZINC22_19908715,PC-id_92643781	519.226	RHBCGXBNESURMI-CNNODRBYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-177427
CCOC(=O)[C@]1(Cc2ccccc2)C=CN(C(=O)c2ccccc2)[C@H]2[C@H]1C2(Br)Br	ZINC22_254514103	519.226	RHBCGXBNESURMI-DXIQSLLYSA-N	00100000000011110000010000000000000000000000000000000000	22-01-177428
CCOC(=O)[C@]1(Cc2ccccc2)C=CN(C(=O)c2ccccc2)[C@@H]2[C@H]1C2(Br)Br	ZINC22_254514404	519.226	RHBCGXBNESURMI-KNKQGSTJSA-N	00100000000011110000010000000000000000000000000000000000	22-01-177429
CCOC(=O)C1=CN(C(=O)c2ccccc2)[C@@H]2[C@H]([C@@H]1Cc1ccccc1)C2(Br)Br	PC-id_1258546,ZINC22_1070078	519.226	VUGVPJHIFSWGRL-YZGWKJHDSA-N	00100000000011110000010000000000000000000000000000000000	22-01-177430
CN1C=NN=C1CC2(COC2)C3=CC=CC(=C3)CC(=O)C4=CC(=CC(=N4)C5CC5)CN6CC7C(C6)C7(F)F	PC-id_165378479	519.245	BFTCATSZZGQERJ-UHFFFAOYSA-N	00101010100000111001110000000000000000000000000000000000	22-01-177434
CC(CC1=C(C=C(C=C1)N2C=CC(=NC2=O)NC(=O)N3CCNCC3)C(F)(F)F)N4CC5C(C4)C5CN	PC-id_154650317	519.257	CUDYGAQTPNVSGJ-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-177435
C1CC2C(C2COC(=O)NCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)CCC#C1	PC-id_154803550,EMOLS-id_317519965,MCULE-5279510116	519.258	ZZRUYTQNTVMKLG-UHFFFAOYSA-N	00100011000000000110010000000000000000000000000000000000	22-01-177436
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)O)C	PC-id_164513577	519.267	RZGCMAKAYRDBGC-NTLBMVPWSA-N	00100010000000000000010000000000000000000000000000000000	22-01-177437
CC[C@@]12CCCC([C@@H](C(C(=O)C(C(CC(=O)C[C@@H](C[C@@H]1O2)/C(=C/C3=CSC(=N3)C)/C)O)(C)C)C)O)C	PC-id_160072033	519.302	VYSSSSYMNJCLKH-ZCWFWDSJSA-N	00100000100000000101010000000000000000000000000000000000	22-01-177438
CCC(=O)OCC1CN(CCN1CC(=O)C(C)(C)C)C(=O)CCNC(=O)OCC1[C@H]2[C@@H]1CCC=CCC2	PC-id_163631088	519.331	HWCNYYNZNYEXAR-XXXUMOOBSA-N	00100000000010000111010000000000000000000000000000000000	22-01-177439
CCC(=O)OCC1CN(CCN1CC(=O)C(C)(C)C)C(=O)CCNC(=O)OCC2[C@H]3[C@@H]2CC/C=CCC3	PC-id_155069939	519.331	HWCNYYNZNYEXAR-FUOQBAMHSA-N	00100000000010000111010000000000000000000000000000000000	22-01-177440
COC1=C(C=CC(=C1)OCCCCCC(=O)NCC2=CC=C(C=C2)CC3CCCCCCC4CC4C3)C=O	PC-id_154980618	519.335	IHUVPOVJZJJJIB-UHFFFAOYSA-N	00100000000000110100010000000000000000000000000000000000	22-01-177441
CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C	SCHEMBL583289,ZINC22_14210455,CHEMBL1233448,569677-40-3,PC-id_10324368,MCULE-8338588592,PD132901	519.34	LHHCSNFAOIFYRV-ZYNAIFEFSA-N	00101010000000000000010000000000000000000000000000000000	22-01-177442
CC1([C@@H]2C1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@H](CC3CCC3)C(=O)C(=O)N)C	PC-id_148344443	519.342	LHHCSNFAOIFYRV-LJDZDVQXSA-N	00101010000000000000010000000000000000000000000000000000	22-01-177443
CC1([C@@H]2[C@H]1[C@](NC2)(C(=O)[C@@H](C(=O)NNC(C)(C)C)C(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C	PC-id_165390137	519.342	ABLDZMJMSQEBIJ-RXUKOENNSA-N	00101010000000000000010000000000000000000000000000000000	22-01-177444
CC(C)CC(C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(=O)N)C2(C)C)NC(=O)NC(C)(C)C	PC-id_164167511	519.342	ZSKQNMIVHXAIRC-AHTIFJERSA-N	00101010000000000000010000000000000000000000000000000000	22-01-177445
CCCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)O[C@@H]1[C@@H](CBr)O[C@@H]([C@H]2[C@@H]1O2)OC	PC-id_139648769	519.425	KZMJRBBFEHOCJO-YLLXKFEGSA-N	00100000000010110000110000000000000000000000000000000000	22-01-177446
Fc1c(F)c(F)c(OC(=O)CCOCCOCCNC(=O)OCC2C3CCC#CCCC23)c(F)c1F	MCULE-8057848376,PC-id_77078462,EMOLS-id_44695888	519.458	OQSLFTLVSWOAIW-UHFFFAOYSA-N	00100000000000110110010000000000000000000000000000000000	22-01-177447
CC(Cc1nccc(c1)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@@H](c1ccc(cc1F)C(F)(F)F)C1COC1)C	PC-id_137544849,SCHEMBL20791609	519.531	ADTIOKAANVHTJQ-JUJUEEDWSA-N	00101010000000111000010000000000000000000000000000000000	22-01-177448
CC(C)(C)c1nccc(c1)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC(C1COC1)c1c(cc(cc1)C(F)(F)F)F	SCHEMBL20791608,PC-id_137544848	519.531	MONPCJPSWSHLCU-UNRZMWIOSA-N	00101010000000111000010000000000000000000000000000000000	22-01-177449
O=C(NC(CC=C)C(=O)C(=O)OC)C1N(CC2C1C2(C)C)C(=O)C(NC(=O)OC(C)(C)C)C1CCCC1	PC-id_21016932	519.63	UEKVBRWKLFRWLG-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-177500
CC(C)(C)c1nccc(c1)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](C1COC1)c1c(cc(cc1)C(F)(F)F)F	SCHEMBL20791606,PC-id_137544846	519.531	MONPCJPSWSHLCU-IAZMWKBYSA-N	00101010000000111000010000000000000000000000000000000000	22-01-177450
CCNc1c(cc(cc1)C)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC(C1COC1)c1c(cc(cc1)C(F)(F)F)F	PC-id_137544698,SCHEMBL20791452	519.531	DAHDJVFAFDKYAR-JUVPPHPOSA-N	00101010000000110000010000000000000000000000000000000000	22-01-177451
CCNc1c(cc(cc1)C)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](C1COC1)c1c(cc(cc1)C(F)(F)F)F	SCHEMBL20791451,PC-id_137544697	519.531	DAHDJVFAFDKYAR-DVSNZQAGSA-N	00101010000000110000010000000000000000000000000000000000	22-01-177452
CNCCCOc1cc(F)c(c(c1)C(F)(F)F)c1ccc(c(c1)COC(=C)/C=C
/CC2C(/C1=C/C)C2)F	PC-id_144566144	519.546	FRZJCKALVNXLFB-UTGRRBIUSA-N	00100010000000110000110000000000000000000000000000000000	22-01-177453
CNCCCOc1cc(F)c(c(c1)C(F)(F)F)c1ccc(c(c1)COC(=C)/C=C
/C[C@@H]2C(/C1=C/C)C2)F	PC-id_144566128	519.546	FRZJCKALVNXLFB-DIIGRGGKSA-N	00100010000000110000110000000000000000000000000000000000	22-01-177454
O=C(c1cscn1)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1ccc(c(c1)C)F	PC-id_69665614,SCHEMBL6104151	519.554	GWGREEFVTLKBOY-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177455
O=C(c1cscn1)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1ccc(c(c1)F)C	SCHEMBL6105407,PC-id_69666070	519.554	GVOGLIOFXKPKKE-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177456
CC(C1C2N1CCC2)(C(=O)NC1CCCC1)N(Cc1cc(ccc1)OC(F)(F)F)C(=O)c1cn(cn1)C	PC-id_91193395	519.559	LDRYXRDLYRJNJD-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177457
CCn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)CC(=O)NCC1CC1	PC-id_141624515	519.559	YILRCNZWAGDDPK-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177458
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)CC(=O)N1CCCC1C	PC-id_11950419,SCHEMBL6104745	519.559	ODZVMAXMPZUOJS-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177459
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)CC(=O)N1CCCCC1	PC-id_69666022,SCHEMBL6105223	519.559	AYZDYTPFDGWMMK-UHFFFAOYSA-N	00100010100010110001010000000000000000000000000000000000	22-01-177460
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)CC(=O)N(CC1CC1)C	PC-id_69666196,SCHEMBL6105923	519.559	BKWDIDUTZZTJLJ-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177461
Fc1c(C[C@@H](NC(=O)C2N(CCC2)C(=O)C(N)C(C)C)CC(=O)N2C3C(C3)CC2C#N)cc(F)c(F)c1	PC-id_56652981	519.559	QJFVEKBCZAGXBG-XYCMBPIBSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177462
Fc1c(CC(NC(=O)C2N(CCC2)C(=O)C(N)C(C)C)CC(=O)N2C3C(C3)CC2C#N)cc(F)c(F)c1	PC-id_76387481	519.559	QJFVEKBCZAGXBG-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177463
FC(F)(F)Oc1cc(CN(CC2C3C2CN(C3)CC(=O)NC2CCCC2)C(=O)c2ncn(c2)C)ccc1	PC-id_69665737,SCHEMBL6104393	519.559	MXSUGJMZXVAAMK-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177464
N#Cc1cc(F)c(nc1Nc1cnc(c(c1)n1nccn1)C)N[C@@H]1CC2CC2C[C@@H]1NC(=O)OC(C)(C)C	PC-id_117647213,SCHEMBL16169182	519.574	GKMBAPANCNLCCV-XXZMUIKMSA-N	00100000100010101001110000000000000000000000000000000000	22-01-177465
CCc1nc(c([nH]1)CN1CC2C(C1)C2CN(C(=O)c1cscn1)Cc1cccc(c1)OC(F)(F)F)C	PC-id_11950968,SCHEMBL6103155	519.582	IJBFQRCWBIVBSL-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177466
CCn1ncc(c1C)CN1CC2C(C1)C2CN(C(=O)c1cscn1)Cc1cccc(c1)OC(F)(F)F	PC-id_69664969,SCHEMBL6102753	519.582	ZAJSSQSZZJBDRF-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177467
CCn1nc(c(c1)CN1CC2C(C1)C2CN(C(=O)c1cscn1)Cc1cccc(c1)OC(F)(F)F)C	PC-id_69665879,SCHEMBL6104836	519.582	NJXFHWXILDRCHR-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177468
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)CCC#C1	PC-id_137334018	519.587	ZZRUYTQNTVMKLG-CBQGHPETSA-N	00100011000000000110010000000000000000000000000000000000	22-01-177469
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCNC(=O)OC[C@@H]1[C@@H]2CCC#CCC[C@H]12	MCULE-6151638751,EMOLS-id_317519709	519.587	ZZRUYTQNTVMKLG-KOUNCHBCSA-N	00100011000000000110010000000000000000000000000000000000	22-01-177470
O=C(NC1(CC1)C(=O)O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)C1CC1)C2(C)C	SCHEMBL14546625,PC-id_71200702	519.591	DZJGXINNNRUVNP-MYXQGJTBSA-N	00100010000000000000010000000000000000000000000000000000	22-01-177471
O=C(NC(C1CC1)C(=O)C(=O)N)C1N(CC2C1C2(C)C)C(=O)C(NC(=O)NC1(CC1)C(=O)O)C(C)(C)C	PC-id_78034712	519.591	DZJGXINNNRUVNP-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-177472
CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)CC#C)(C)C)O)C(=Cc1coc(n1)C)F)C	PC-id_87338280	519.602	SHRMFKYTTOGJMA-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-177473
CC1C(C(C(=O)C(C(CC(=O)OC(CC2C(O2)(CCO1)C)C(=Cc1ccccn1)F)O)(C)C)CC=C)O	PC-id_88073493	519.602	ZQFHKTYWJYJHAR-UHFFFAOYSA-N	00100000000000101101010000000000000000000000000000000000	22-01-177474
C#CC[C@@H]1[C@H](O)[C@@H](C)CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)C(=Cc1coc(n1)C)F	SCHEMBL2121286	519.602	SHRMFKYTTOGJMA-OANVDRTRSA-N	00100000100000000101010000000000000000000000000000000000	22-01-177475
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Clc1cc(c2sc(nc2C(=O)N2C([C@@H]3C(C3)C2)CNC(=O)c2cc(ccc2)C(F)(F)F)C)ccc1	SCHEMBL3415877,PC-id_68634087	519.966	ZHBPFSSBYHWNBG-AJPWXKBRSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177670
Clc1cc(c2sc(nc2C(=O)N2[C@@H]3C(C3)CC2CNC(=O)c2cc(ccc2)C(F)(F)F)C)ccc1	PC-id_67081315,SCHEMBL1572042	519.966	WWIBMKSHGULDKS-GQOXECLESA-N	00100010100000110001110000000000000000000000000000000000	22-01-177671
Clc1cc(c2sc(nc2C(=O)N2[C@@H]3[C@@H](C3)C[C@H]2CNC(=O)c2cc(ccc2)C(F)(F)F)C)ccc1	PC-id_67081517,SCHEMBL1572377	519.966	WWIBMKSHGULDKS-UXPWSPDFSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177672
Clc1cc(c2sc(nc2C(=O)N2[C@@H]3[C@H](C3)C[C@H]2CNC(=O)c2cc(ccc2)C(F)(F)F)C)ccc1	PC-id_67081518,SCHEMBL1572379	519.966	WWIBMKSHGULDKS-VDGAXYAQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177673
Clc1cc(c2sc(nc2C(=O)N2[C@@H](C3[C@H](C3)C2)CNC(=O)c2cc(ccc2)C(F)(F)F)C)ccc1	PC-id_68442838,SCHEMBL2924474	519.966	ZHBPFSSBYHWNBG-ZNCRQWOUSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177674
Clc1cc(c2sc(nc2C(=O)N2[C@@H](C3[C@@H](C3)C2)CNC(=O)c2cc(ccc2)C(F)(F)F)C)ccc1	SCHEMBL1338114,PC-id_66997869	519.966	ZHBPFSSBYHWNBG-OOFVQCGSSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177675
Clc1cc(c2sc(nc2C(=O)N2[C@@H]([C@@H]3C(C3)C2)CNC(=O)c2cc(ccc2)C(F)(F)F)C)ccc1	SCHEMBL3415642,PC-id_68633981	519.966	ZHBPFSSBYHWNBG-KHMGXFTDSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177676
Clc1cc(c2sc(nc2C(=O)N2[C@H]([C@@H]3[C@@H](C3)C2)CNC(=O)c2cc(ccc2)C(F)(F)F)C)ccc1	PC-id_57489239	519.966	ZHBPFSSBYHWNBG-VDGAXYAQSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177677
Clc1cc(c2sc(nc2C(=O)N2[C@H]([C@H]3[C@@H](C3)C2)CNC(=O)c2cc(ccc2)C(F)(F)F)C)ccc1	PC-id_68633983,SCHEMBL3415645	519.966	ZHBPFSSBYHWNBG-DBVUQKKJSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177678
Clc1cc(c2sc(nc2C(=O)N2[C@@H]([C@@H]3[C@@H](C3)C2)CNC(=O)c2cc(ccc2)C(F)(F)F)C)ccc1	SCHEMBL1338110,PC-id_25181982	519.966	ZHBPFSSBYHWNBG-FFZOFVMBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177679
Clc1cc(c2sc(nc2C(=O)N2[C@@H]([C@H]3[C@H](C3)C2)CNC(=O)c2cc(ccc2)C(F)(F)F)C)ccc1	SCHEMBL2924470,PC-id_68442837	519.966	ZHBPFSSBYHWNBG-NSISKUIASA-N	00100010100000110001110000000000000000000000000000000000	22-01-177680
CC1(CCCC=CC(C1)(C)OC(=O)C(C)(C12N[I]1N2)I)O	PC-id_163903754	519.972	QMCNGORISLPLOX-UHFFFAOYSA-N	00100000000000000111010000000000000000000000000000000000	22-01-177681
CC(=O)O[C@@]12C[C@H]1C[C@H](N2C(=O)[C@@H](COC(C)(C)C)N)C(=O)NCc1cc(Cl)ccc1n1cnnn1	SCHEMBL4205652,PC-id_68955026	519.981	YYZSEUNLVNVPCE-XKUMEKFISA-N	00100010100000110001110000000000000000000000000000000000	22-01-177682
CC(=O)O[C@@]12C[C@H]1CN([C@@H]2C(=O)NCc1cc(Cl)ccc1n1cnnn1)C(=O)[C@@H](COC(C)(C)C)N	PC-id_68957264,SCHEMBL4210970	519.981	SXEMNOJOZKCINT-IIPRLWIHSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177683
Clc1cc(CNC(=O)C2N(C3(OC(=O)C)C(C3)C2)C(=O)C(N)COC(C)(C)C)c(n2nnnc2)cc1	PC-id_77579237	519.981	YYZSEUNLVNVPCE-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177684
Clc1cc(CNC(=O)C2N(CC3C2(OC(=O)C)C3)C(=O)C(N)COC(C)(C)C)c(n2nnnc2)cc1	PC-id_77579836	519.981	SXEMNOJOZKCINT-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177685
CC1(CCCCC1)NC(=O)COC(=N)C(C)(C12N[I]1N2)I	PC-id_163820662	519.983	NVCSHORBKYGJTC-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-177686
CCC1(CCCC1)NC(=O)COC(=N)C(C)(C12N[I]1N2)I	PC-id_163830780	519.983	ODLSQGUOCQDTHI-UHFFFAOYSA-N	00100010000000000001010000000000000000000000000000000000	22-01-177687
CCCC(=NC1=C(C2C(O2)N(C(=N1)Cl)CCC)C)c1cnc(cc1)NCc1cc(ccc1)C(F)(F)F	PC-id_90740323	519.99	SJMIFMVNZVMGQW-UHFFFAOYSA-N	00100000000000111111010000000000000000000000000000000000	22-01-177688
[Si](O[Si](O[Si](O[Si](C)C)(C)C)(CCCCCCCC)C)(OC)(CCC1CC2OC2CC1)C	PC-id_18710035	519.99	UVBZOTPMVKDTKQ-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-177689
CCOC(C1CCC1C(=O)C(C)(C12N[I]1N2)[I]=C)C(C)C	PC-id_163926424	520.008	REWKCEHHAIGUFN-UHFFFAOYSA-N	00101000000000000001010000000000000000000000000000000000	22-01-177690
CCOC(=O)C(C(=O)OCC)OC(=O)C1CCC2C1(C2(C(=O)O)F)OCC3=CC(=C(C=C3)Cl)Cl	PC-id_154485218	520.07	AQGDPMKTKXYAFB-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-177691
CC1=C(N=C(C=C1)Br)CC(=O)[C@@H]2C[C@]3(C[C@H]3N2C(=O)CC4=CC(=CC=C4)C5=CNC(=O)N=C5)C	PC-id_160931245	520.111	YWSKATHZSIQDDW-HXAGEGRHSA-N	00100010000000111001110000000000000000000000000000000000	22-01-177692
C1C2C1CN(C2)CC3=CC=C(C=C3)N4CC(CC4=O)CC(=O)C5=NN=C(S5)CCC6=CC=C(C=C6)Cl	PC-id_148002581	520.17	IXFWACDQCMJZTL-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-177693
C#CC12C(C(OC1O2)(C(COCc1c(cc(cc1)Cl)Cl)O)OCc1c(cc(cc1)Cl)Cl)O	PC-id_87496787	520.187	FLWPPRRHMZGRIZ-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177694
C#CC12C(C(OC1O2)(COCOCc1c(cc(cc1)Cl)Cl)OCc1c(cc(cc1)Cl)Cl)O	PC-id_87496786	520.187	GIJZKAFDKMJVKO-UHFFFAOYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177695
C#C[C@]12O[C@@H]1O[C@@]([C@H]2O)(COCOCc1ccc(cc1Cl)Cl)OCc1ccc(cc1Cl)Cl	SCHEMBL3230634	520.187	GIJZKAFDKMJVKO-DXBBTUNJSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177696
C#C[C@]12O[C@H]1O[C@]([C@H]2O)(OCc1ccc(cc1Cl)Cl)C(COCc1ccc(cc1Cl)Cl)O	PC-id_143936961	520.187	FLWPPRRHMZGRIZ-UPGLXXFKSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177697
C#C[C@]12O[C@@H]1O[C@]([C@H]2O)(OCc1ccc(cc1Cl)Cl)C(COCc1ccc(cc1Cl)Cl)O	SCHEMBL3230640	520.187	FLWPPRRHMZGRIZ-XFHZOHHFSA-N	00100010000000110000010000000000000000000000000000000000	22-01-177698
CC(C)Oc1c(cc(cc1)NC1C2N1C(=O)N(C(=O)N2C/C=C/C=C(C(=C)C)/Cl)CCCC(=O)O)F	PC-id_163812714	520.189	NORDSIHDYUPCIW-QLGUIBHBSA-N	00100000000010110001010000000000000000000000000000000000	22-01-177699
CC1=CC(=C(C=N1)NCCO)C(=O)N2C(CC3C2(C3)[C@H](C4CC4)C5=C(C=C(C=C5)C(F)(F)F)F)C(=O)N	PC-id_154606245	520.21	HNQWXZHVBMDPRT-OFIAITFYSA-N	00100010000000111000010000000000000000000000000000000000	22-01-177700
CCC[Si](C)(C)O[SiH](C)O[Si](C)(CCCOC(=O)C1CCCC2C1O2)O[Si](C)(C)CCC	PC-id_160226322	520.253	PSUQSSNGQIVIHO-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-177701
CC1(C=C1N2CCN(CC2)C(=O)NC3=NC(=O)N(C=C3)C4=CC=C(C=C4)C(C(=O)O)N5CC6C(C5)C6N)N	PC-id_154650803	520.255	JURAZDOAERUAMH-UHFFFAOYSA-N	00110010000010110001110000000000000000000000000000000000	22-01-177702
Brc1cc(/C=N/NC(=O)[C@@H]2[C@H]3[C@]2(C)CCCC3)c(c(c1)Br)OCc1ccccc1	CoCoCo_6562257	520.257	WXTBHZADHSJOJD-YGGFWRLMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177703
Brc1cc(/C=NNC(=O)[C@H]2[C@H]3[C@]2(C)CCCC3)c(c(c1)Br)OCc1ccccc1	CoCoCo_6562258,CoCoCo_6562259	520.257	WXTBHZADHSJOJD-GZWZTWLUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177704
Brc1cc(/C=NNC(=O)[C@@H]2[C@H]3[C@]2(C)CCCC3)c(c(c1)Br)OCc1ccccc1	CoCoCo_6562260	520.257	WXTBHZADHSJOJD-WOLPRIGNSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177705
Brc1cc(/C=NNC(=O)[C@H]2[C@@H]3[C@@]2(C)CCCC3)c(c(c1)Br)OCc1ccccc1	CoCoCo_6562262,CoCoCo_6562261	520.257	WXTBHZADHSJOJD-UJEZIUMKSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177706
Brc1cc(/C=NNC(=O)[C@@H]2[C@@H]3[C@@]2(C)CCCC3)c(c(c1)Br)OCc1ccccc1	CoCoCo_6562263	520.257	WXTBHZADHSJOJD-OARNMMSTSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177707
Brc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3[C@@]2(C)CCCC3)c(c(c1)Br)OCc1ccccc1	CoCoCo_6562264	520.257	WXTBHZADHSJOJD-AYMSFJCUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177708
Brc1cc(/C=N/NC(=O)[C@H]2[C@@H]3[C@@]2(C)CCCC3)c(c(c1)Br)OCc1ccccc1	GD-id_ZINC15228899	520.257	WXTBHZADHSJOJD-RIYOOATHSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177709
Brc1cc(/C=NNC(=O)[C@H]2[C@@H]3[C@]2(C)CCCC3)c(c(c1)Br)OCc1ccccc1	PC-id_98078734	520.257	WXTBHZADHSJOJD-OVWIGMDUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177710
Brc1cc(/C=NNC(=O)[C@H]2[C@H]3[C@@]2(C)CCCC3)c(c(c1)Br)OCc1ccccc1	PC-id_98078736	520.257	WXTBHZADHSJOJD-YLGUBFFWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177711
Brc1c(OCc2ccccc2)c(C=NNC(=O)[C@@H]2[C@]3([C@@H]2CCCC3)C)cc(Br)c1	PC-id_26478691	520.257	WXTBHZADHSJOJD-KKLQWCBXSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177712
Brc1c(OCc2ccccc2)c(C=NNC(=O)[C@@H]2[C@@]3([C@H]2CCCC3)C)cc(Br)c1	PC-id_40965269	520.257	WXTBHZADHSJOJD-NOXFTYBFSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177713
C12(CCCCC1C2C(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1)C	MCULE-1023681250,PC-id_3866234	520.257	WXTBHZADHSJOJD-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-177714
C1CC1(CN)C(=O)N2CCN(CC2)C(=O)NC3=NC(=O)N(C=C3)C4=CC=C(C=C4)CN5C[C@@H]6C(C5)C6CN	PC-id_155006545	520.291	WGZHPZYDYXHZCV-ORFBVSJDSA-N	00100010000010110001110000000000000000000000000000000000	22-01-177717
C1CC1(CN)C(=O)N2CCN(CC2)C(=O)NC3=NC(=O)N(C=C3)C4=CC=C(C=C4)CN5C[C@@H]6[C@H](C5)C6CN	PC-id_154650747	520.291	WGZHPZYDYXHZCV-FRIKZZABSA-N	00100010000010110001110000000000000000000000000000000000	22-01-177718
C1CC(C1)(C(=O)N2CCN(CC2)C(=O)NC3=NC(=O)N(C=C3)C4=CC=CC(=C4)CCN5CC6C(C5)C6N)N	PC-id_154650778	520.291	CPOHBQNGWDKLGA-UHFFFAOYSA-N	00101010000010110001110000000000000000000000000000000000	22-01-177719
C[C@H]1CCC[C@@]2([C@@H]([C@@H]2O)CC(NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	PC-id_147271261	520.297	CQLRYRWIMCXFAX-KERLUUQISA-N	00100000100000000101010000000000000000000000000000000000	22-01-177720
C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C=C/CN=C(S3)C)/C)C	PC-id_160664331	520.297	RMBZIDSGTIRCGA-VLVNKTCTSA-N	00100011000000000101010000000000000000000000000000000000	22-01-177721
CC(C)C12C[C@@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC(CC1CC1)C(=O)C(=O)N	PC-id_163802430	520.326	NGDSUORGBKDDQQ-VVQYBQFQSA-N	00100010000000000000010000000000000000000000000000000000	22-01-177722
CCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1C2C(C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C	PC-id_164015590	520.326	UUYWOEHBJTYWGP-VZIDXPSOSA-N	00100010000000000000010000000000000000000000000000000000	22-01-177723
CC(CC1=CC=C(C=C1)N2C=CC(=NC2=O)NC(=O)N3CCN(CC3)C(=C)C(C)N)N4C[C@@H]5[C@H](C4)C5CN	PC-id_154650606	520.327	LCODRWBTLWTQFT-KNIVFSLHSA-N	00100010000010110001110000000000000000000000000000000000	22-01-177724
CC(C)(C(=C)N1CCN(CC1)C(=O)NC2=NC(=O)N(C=C2)C3=CC=C(C=C3)CN4CC5C(C4)C5CNC)N	PC-id_154650428	520.327	NMVFVJMURRVCIV-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-177725
O=C(c1cc(ccc1Cl)NC(=O)c1ccc(cc1Cl)S(=O)(=O)C)NC(=O)N1c2c1c(O)ccc2	PC-id_141320073	520.342	QYUZWFXTYGPWBM-UHFFFAOYSA-N	00100000000000110000010000000000000000000000000000000000	22-01-177726
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)[NH3+])C	PC-id_148344444	520.349	LHHCSNFAOIFYRV-UHFFFAOYSA-O	00101010000000000000010000000000000000000000000000000000	22-01-177727
OC[C@H](Nc1nc(ncc1Br)Nc1ccc(cc1)S(=O)(=O)NCC1=CC2[C@H](C=C1)C2C)C	PC-id_142188465	520.443	MDHVLJNTKVEAMY-CRBFVWNYSA-N	00100000000011110001010000000000000000000000000000000000	22-01-177728
CCC(C(=O)C(=O)N)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(Cl)Cl)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C	SCHEMBL10173731,PC-id_68052906	520.45	QXJPDHKMYRSHFG-UZIWQXISSA-N	00100010000000000000010000000000000000000000000000000000	22-01-177729
ClC1(Cl)C2C1CN(C2C(=O)NC(CC)C(=O)C(=O)N)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C	PC-id_77449222	520.45	QXJPDHKMYRSHFG-UHFFFAOYSA-N	00100010000000000000010000000000000000000000000000000000	22-01-177730
ClC1(Cl)C2C1CN(C2C(=O)NCC(O)C(=O)N)C(=O)C(NC(=O)NC(C)(C)C)C1CCCCC1	PC-id_77943903	520.45	HFSAMWHBMNSJPP-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-177731
ClC1(Cl)[C@H]2[C@@H]1CN([C@@H]2C(=O)NCC(O)C(=O)N)C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1	SCHEMBL13305515,PC-id_70879020	520.45	HFSAMWHBMNSJPP-AOWBMEDYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-177732
C1C2C1CC(C2)OC(=O)NCC(=O)N1CC(CC1C(=O)N)OS(=O)(=O)c1ccc(cc1)Br	PC-id_89851244	530.389	WUDJZBJAGWOPTM-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-179550
C=CCCC[C@]12C[C@H](N([C@@H]2C1)C(=O)OC(C)(C)C)C(=O)Nc1nc(Br)ccc1COCC=C	PC-id_135318872,SCHEMBL20488750	520.459	CQIDZPVVKXXGBN-CEYNDMKZSA-N	00100010000000101000010000000000000000000000000000000000	22-01-177733
C=CCCC[C@]12C[C@@H](N([C@@H]2C1)C(=O)OC(C)(C)C)C(=O)Nc1nc(Br)ccc1COCC=C	SCHEMBL20488748,PC-id_135318870	520.459	CQIDZPVVKXXGBN-RRQZXNHTSA-N	00100010000000101000010000000000000000000000000000000000	22-01-177734
C=CCCCC12CC(N(C2C1)C(=O)OC(C)(C)C)C(=O)Nc1nc(Br)ccc1COCC=C	PC-id_135318869,SCHEMBL20488747	520.459	CQIDZPVVKXXGBN-UHFFFAOYSA-N	00100010000000101000010000000000000000000000000000000000	22-01-177735
Clc1ccc(c(c1)Cl)COc1ccc(cc1)S(=O)NC1(C(=O)O)C2C1CCCC/C=CC=C/C2	PC-id_143065023	520.468	MNSDARXNZDMHDK-FIGGJLSXSA-N	00100000000000110110010000000000000000000000000000000000	22-01-177736
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1ccc(cc1F)F	PC-id_69665871,SCHEMBL6104807	520.494	ZQCIKIBBZVOPJJ-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177737
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1cccc(c1F)F	PC-id_69665962,SCHEMBL6105072	520.494	ZKXVRYMWVXDQOE-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177738
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1cc(F)cc(c1)F	PC-id_11950068,SCHEMBL6101915	520.494	SVCGVGBXEMCJBK-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177739
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)Cc1cc(F)ccc1F	PC-id_69665677,SCHEMBL6104278	520.494	PVIRINLLGQESTR-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-177740
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Brc1c(C(=O)NCC2N(CC3C2C3)C(=O)c2nc(sc2c2cc(ccc2)C)C)cc(cc1)C	SCHEMBL2933396,PC-id_68446532	524.473	RKWXTXLCFYOWFN-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-178786
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Brc1c(C(=O)NC[C@H]2N(C[C@@H]3C2C3)C(=O)c2nc(sc2c2cc(ccc2)C)C)cc(cc1)C	SCHEMBL2933401,PC-id_68446535	524.473	RKWXTXLCFYOWFN-LROQTYINSA-N	00100010100000110001110000000000000000000000000000000000	22-01-178789
Brc1c(C(=O)NC[C@@H]2N(C[C@H]3[C@@H]2C3)C(=O)c2nc(sc2c2cc(ccc2)C)C)cccc1C	PC-id_57489215	524.473	DDSZXAFSSANNHK-JBACZVJFSA-N	00100010100000110001110000000000000000000000000000000000	22-01-178790
Brc1c(C(=O)NC[C@H]2N(C[C@@H]3[C@H]2C3)C(=O)c2nc(sc2c2cc(ccc2)C)C)cccc1C	PC-id_68442541,SCHEMBL2923752	524.473	DDSZXAFSSANNHK-HMXCVIKNSA-N	00100010100000110001110000000000000000000000000000000000	22-01-178791
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Brc1c(C(=O)NC[C@H]2N(C[C@H]3[C@@H]2C3)C(=O)c2nc(sc2c2cc(ccc2)C)C)cc(cc1)C	SCHEMBL1340285,PC-id_66998739	524.473	RKWXTXLCFYOWFN-CNNODRBYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-178793
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C(=O)(N[C@@](CC1CCC1)(C(=O)C(=O)N)[2H])[C@@H]1[C@@H]2[C@@H](C2(C([2H])([2H])[2H])C([2H])([2H])[2H])CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C	1158083-08-9	526.72	LHHCSNFAOIFYRV-WWBISKOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-179092
C(=O)(NC(CC1CCC1)(C(=O)C(=O)N)[2H])[C@@H]1[C@@H]2[C@@H](C2(C([2H])([2H])[2H])C([2H])([2H])[2H])CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C	1256751-02-6	526.72	LHHCSNFAOIFYRV-ZXTVOTOCSA-N	00101010000000000000010000000000000000000000000000000000	22-01-179093
C(=O)(N[C@](CC1CCC1)(C(=O)C(=O)N)[2H])[C@@H]1[C@@H]2[C@@H](C2(C([2H])([2H])[2H])C([2H])([2H])[2H])CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C	PC-id_44157448,1256751-85-5	526.72	LHHCSNFAOIFYRV-JPAGIWIUSA-N	00101010000000000000010000000000000000000000000000000000	22-01-179094
C(=O)(N[C@@H](CC1(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])[2H])C(=O)C(=O)N)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C	1158083-36-3,PC-id_44157382	526.72	LHHCSNFAOIFYRV-DOJVEYBSSA-N	00101010000000000000010000000000000000000000000000000000	22-01-179095
C(=O)(N[C@H](CC1(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])[2H])C(=O)C(=O)N)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C	1256752-38-1	526.72	LHHCSNFAOIFYRV-WRDXNYGZSA-N	00101010000000000000010000000000000000000000000000000000	22-01-179096
CCOC(=O)C1C2C1[C@@H](OCc1ccccc1)[C@@H]([C@H](O2)CO[Si](C(C)(C)C)(C)C)OCc1ccccc1	PC-id_101470904	526.736	LIZYBWXLYZKUGW-SGLASNMWSA-N	00100000000010110000010000000000000000000000000000000000	22-01-179097
CC(=O)OC[C@]1(O)[C@@H](O)[C@H]2[C@]([C@H]1OC(C)(C)C)(C2)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_101572585	526.736	DRJGTSKEGFXGDA-SBQCDYCGSA-N	00100010000010110000010000000000000000000000000000000000	22-01-179098
CC1(C2C1C(N(C2)C(=O)C(C1CCCCC1)NC1CCCCC1)C(=O)NC(CC1CCC1)C(=O)C(=C)N)C	PC-id_89116453	526.754	IJHMUPOLCVJJDV-UHFFFAOYSA-N	00101010000010000000010000000000000000000000000000000000	22-01-179099
O=C(N1CC2[C@H](C1C(=O)NC(C(=O)C(=C)N)CC1CCC1)C2(C)C)C(C1CCCCC1)NC1CCCCC1	SCHEMBL13559988	526.754	IJHMUPOLCVJJDV-ILUFOYDZSA-N	00101010000010000000010000000000000000000000000000000000	22-01-179100
[Si](OCC1C2C1COC(C2=C(C)C)COCc1ccccc1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_75274827	526.781	TULAKVHHXQEBBR-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-179101
[Si](OC[C@@H]1[C@@H]2[C@H]1CO[C@H](C2=C(C)C)COCc1ccccc1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_49765965	526.781	TULAKVHHXQEBBR-QUUJSONZSA-N	00100000000010110000010000000000000000000000000000000000	22-01-179102
O=C(c1ccccc1)OC1C2C1(OC(C(C2)(C)OC(=O)c1ccccc1)C)OC(=N)C(Cl)(Cl)Cl	PC-id_144528435	526.794	MGRYPQUDQUFLHJ-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-179103
O=C(c1ccccc1)O[C@H]1C2C1(OC(C(C2)(C)OC(=O)c1ccccc1)C)OC(=N)C(Cl)(Cl)Cl	PC-id_144528535	526.794	MGRYPQUDQUFLHJ-LIKDYQCPSA-N	00100000000010110000010000000000000000000000000000000000	22-01-179104
CCS(=O)(=O)c1cccc(c1)C(=O)N1[C@H](C[C@@H]2[C@H]1C2)C(=O)NC(c1cc(F)c(cc1F)Cl)C(O)C	PC-id_138471526,SCHEMBL20817761	526.981	COVNWSRCKJAELJ-FHOCEIJYSA-N	00100010000000110000010000000000000000000000000000000000	22-01-179105
CCS(=O)(=O)c1cccc(c1)C(=O)N1[C@H](C[C@@H]2[C@H]1C2)C(=O)N[C@@H](c1cc(F)c(cc1F)Cl)[C@@H](O)C	PC-id_138471523,SCHEMBL20817758	526.981	COVNWSRCKJAELJ-IPQYFULRSA-N	00100010000000110000010000000000000000000000000000000000	22-01-179106
CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=Cc1coc(n1)CN)Cl)C	PC-id_87584107	527.05	WIDMOJMTNZGNEM-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-179107
CCC1C(C(OCCC2(C(O2)CC(NC(=O)CC(C(C1=O)(C)C)O)C(=Cc1coc(n1)C)Cl)C)C)O	PC-id_88080378	527.05	VJXNMEQNAAWLMN-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-179108
CC[C@@H]1[C@H](O)[C@@H](C)OCC[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@@H](C(C1=O)(C)C)O)C(=Cc1coc(n1)C)Cl	SCHEMBL7051569	527.05	VJXNMEQNAAWLMN-KNWGOWGDSA-N	00100000100000000101010000000000000000000000000000000000	22-01-179109
ClC(=Cc1nc(oc1)CN)[C@H]1OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCC[C@]2(O[C@H]2C1)C)C)C)(C)C	SCHEMBL3843237,PC-id_11455302	527.05	WIDMOJMTNZGNEM-CKMDJIGESA-N	00100000100000000101010000000000000000000000000000000000	22-01-179110
C1CCN(C1)CC1C2CC2CN1C(=O)CN1CCCC(C1=O)NS(=O)(=O)C=Cc1ccc(s1)Cl	PC-id_91003921	527.1	CRTWDWHPALELDT-UHFFFAOYSA-N	00100010100110000000010000000000000000000000000000000000	22-01-179111
Clc1sc(/C=C/S(=O)(=O)NC2C(=O)N(CC(=O)N3C(C4C(C4)C3)CN3CCCC3)CCC2)cc1	PC-id_20580997	527.1	CRTWDWHPALELDT-YRNVUSSQSA-N	00100010100110000000010000000000000000000000000000000000	22-01-179112
Clc1sc(/C=C/S(=O)(=O)N[C@@H]2C(=O)N(CC(=O)N3C(C4C(C4)C3)CN3CCCC3)CCC2)cc1	PC-id_59056106,SCHEMBL14604281	527.1	CRTWDWHPALELDT-SDVTXXPBSA-N	00100010100110000000010000000000000000000000000000000000	22-01-179113
CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=Cc1csc(n1)C)C)Cl	PC-id_91535232	527.116	ZZLSOFVNBILLNJ-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-179114
CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=Cc1csc(n1)C)Cl)C	PC-id_87797939	527.116	VFUWKDVJABSONW-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-179115
O=C1N[C@@H](CC2OC2(C)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)C(=Cc1csc(n1)C)Cl	SCHEMBL5225507	527.116	VFUWKDVJABSONW-HFDVIDLKSA-N	00100000100000000101010000000000000000000000000000000000	22-01-179116
CCNCC1C2CC2CN1C(=O)CN1CCC[C@@H](C1=O)NS1(=O)(CCC1)/C=C/c1ccc(s1)Cl	PC-id_142158884	527.143	OOESDZPDCNJDRI-FZBZVAHTSA-N	00101010100110000000010000000000000000000000000000000000	22-01-179117
CC(C)(C)OC(=O)CCC(=CF)COc1ncc(cc1)S(=O)(=O)N1C[C@@H]2[C@H](C1)C2C(=O)NCCOC	PC-id_164123053	527.21	QVJJWBPITRZYAO-QIDMFYOTSA-N	00100010000000101000010000000000000000000000000000000000	22-01-179118
C1CN(CCC1Cc1ccc(cc1)F)CC(C(Cc1ccccc1)C12CC1C2C(=O)OCc1ccccc1)O	PC-id_163647334	527.284	IJJBSEHNRDXTOP-UHFFFAOYSA-N	00101000000010110000010000000000000000000000000000000000	22-01-179119
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCCC1=O)C(C(=O)NCc1ccccc1)O)C	PC-id_163537185	527.3	ZTHODUIDJXMPDL-JSOPWYFPSA-N	00100010000000110000010000000000000000000000000000000000	22-01-179120
CC1CCCC2([C@@H](O2)CC(OC(=O)CC(C(C(=O)C(C1O)CCC=C)(C)C)O)C(=CC3=CC=CC=N3)C)C	PC-id_153892431	527.325	FRKBGZLIYKOHLW-AMKXBCOCSA-N	00100000000000101100010000000000000000000000000000000000	22-01-179121
BrC1(Br)C2C1CC(C2)CNC(=O)OC1C(C(C)(C)c2ccccc2)CCC(C1)C	PC-id_85192371	527.332	OGBRJKNJQLIUAP-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-179122
BrC1(Br)[C@@H]2[C@H]1CC(C2)CNC(=O)O[C@H]1[C@H](C(C)(C)c2ccccc2)CC[C@H](C1)C	PC-id_10578055	527.332	OGBRJKNJQLIUAP-XOSXPKNZSA-N	00100010000010110000010000000000000000000000000000000000	22-01-179123
CC[Si](CC)(CC)OC1COC(=O)CCCC(=O)CCCCCCC2C1(N2)O[Si](CC)(CC)CC	PC-id_154068803	527.346	CMAIZBXTZFEVNB-UHFFFAOYSA-N	00100000000000000100010000000000000000000000000000000000	22-01-179124
CC(=S)NC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)NC1=CC=CC(=CC2C1O2)I	PC-id_143555130	527.351	GZRJHWYUWPPAJM-YCMKEVRSSA-N	00100010000000110111110000000000000000000000000000000000	22-01-179125
Brc1ccc(c(n1)NC(=O)[C@@H]1C[C@@]2([C@H](N1C(=O)Cn1nc(cc1c1ccco1)C(=O)N)C2)C)C	SCHEMBL20487272,PC-id_135317481	527.371	URFLAWAVLAZXIU-JCEJCQQGSA-N	00100010101000101001110000000000000000000000000000000000	22-01-179126
Brc1ccc(c(n1)NC(=O)[C@@H]1C[C@@]2([C@H](N1C(=O)Cn1nc(cc1C(=O)N)c1ccco1)C2)C)C	SCHEMBL20488602,PC-id_135318750	527.371	QRINMUYLQNELSM-JCEJCQQGSA-N	00100010101000101001110000000000000000000000000000000000	22-01-179127
CC1([C@@H]2C1CC(N2C(=O)NC(CC3CCC3)C(=O)C(=O)N)C(=O)[C@@H](CC4CCCCC4)C5CCCCC5)C	PC-id_160433569	527.372	QJKFDKLAMIRFIU-GTXXRNERSA-N	00101010000010000000010000000000000000000000000000000000	22-01-179128
CC1[C@@H]2[C@H]1CC(C2)Oc1cc(ccc1N(C(=O)c1c(F)cccc1Cl)C)c1cc(ccc1Cl)C(=O)N	PC-id_145696171	527.414	FZAQAXAVQUHUNR-QBTJRKDISA-N	00100010000010110000110000000000000000000000000000000000	22-01-179129
Brc1cnc(NCC2N(C3C(C3)C2)C(=O)c2nc(sc2c2cc(NC(=O)C)ccc2)C)nc1	PC-id_77223074	527.437	DLBVQVWUJLVQGL-UHFFFAOYSA-N	00100010100000110001110000000000000000000000000000000000	22-01-179130
Brc1cnc(NC[C@H]2N([C@@H]3[C@@H](C3)C2)C(=O)c2nc(sc2c2cc(NC(=O)C)ccc2)C)nc1	SCHEMBL1572612,PC-id_67081636	527.437	DLBVQVWUJLVQGL-MNEFBYGVSA-N	00100010100000110001110000000000000000000000000000000000	22-01-179131
C1CC1(C#N)c1cccc(c1)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC(C1COC1)c1c(cc(cc1)C(F)(F)F)F	PC-id_137544251,SCHEMBL20790977	527.51	GRJSONBADOFWLP-VZDQSORPSA-N	00101010000000110000110000000000000000000000000000000000	22-01-179132
C1CC1(C#N)c1cccc(c1)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](C1COC1)c1c(cc(cc1)C(F)(F)F)F	PC-id_137544247,SCHEMBL20790973	527.51	GRJSONBADOFWLP-JUJUEEDWSA-N	00101010000000110000110000000000000000000000000000000000	22-01-179133
O=C(C1C2C1CN(C2)S(=O)(=O)Cc1ccc(cc1)C(F)(F)F)Nc1ccc(c(c1)F)N1CCOCC1	PC-id_67308023,SCHEMBL2182097	527.532	RUFYLPUOOBSLAI-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-179134
O=C(C1C2C1CN(C2)S(=O)(=O)Cc1cccc(c1)C(F)(F)F)Nc1ccc(c(c1)F)N1CCOCC1	SCHEMBL4414073,PC-id_69034149	527.532	YRFKDCPVFPNSLI-UHFFFAOYSA-N	00100010000010110001110000000000000000000000000000000000	22-01-179135
PNC(=O)N[C@@H](C(C)(C)C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)NP)CC1CCC1)C2(C)C	PC-id_143359918	527.534	ZXYIJHBIGPGQKG-XRLSCXDPSA-N	00101010000000000000010000000000000000000000000000000000	22-01-179136
PNC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2C([C@H]1C(=O)NC(C(=O)C(=O)NP)CC1CCC1)C2(C)C	PC-id_143361094	527.534	ZXYIJHBIGPGQKG-IASGZQPQSA-N	00101010000000000000010000000000000000000000000000000000	22-01-179137
FC(F)(F)Oc1cc(CN(CC2C3C2CN(C3)CC(=O)Nc2ccccc2)C(=O)c2ncn(c2)C)ccc1	PC-id_69664940,SCHEMBL6102697	527.538	XXLJXMYMZNUKNH-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-179138
FC(F)(F)Oc1cc(CN(C(C2C3C2CN(C3)C(=O)Nc2ccccc2)C)C(=O)c2ncn(c2)C)ccc1	PC-id_11950416	527.538	KHLXUBUABDCDGA-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-179139
O=C(Oc1ccc(cc1)[N+](=O)[O-])OCCOCCNS(=O)(=O)NC(=O)OC[C@@H]1[C@H]2[C@@H]1CCC=CCC2	SCHEMBL19231525	527.545	DJIWOGDRURBDPH-ACDBMABISA-N	00100000000000110110010000000000000000000000000000000000	22-01-179140
S=C(N(C1CCC2C(C1)C2)CC1CCN(CC1)C(=O)OC(C)(C)C)Nc1cc(Cl)c(cc1N)Cl	PC-id_143031847	527.55	WROMUWDWCFSUOG-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-179141
CCC(=O)OCOC(=O)[C@]1(N)[C@H](CSc2ccc(c(c2)C)F)[C@H]([C@@H]2[C@H]1[C@H]2C(=O)OCOC(=O)CC)O	SCHEMBL8765308,PC-id_67685509	527.56	FHVYNLJNOAGARW-LMMOZFOSSA-N	00100010000010110000010000000000000000000000000000000000	22-01-179142
S(CC1C(N)(C2C(C2C(=O)OCOC(=O)CC)C1O)C(=O)OCOC(=O)CC)c1cc(c(F)cc1)C	PC-id_77336365	527.56	FHVYNLJNOAGARW-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-179143
Br/C=C(/C(O)C1OC(=O)C(=C1)/C=C/[C@@]12O[C@@]1(C[C@@H](O[Si](C(C)(C)C)(C)C)CC2(C)C)C)C	PC-id_25105519	527.564	QXDQBEODSBXXLI-GYEHXLQBSA-N	00100011000010000000010000000000000000000000000000000000	22-01-179144
CC(=O)CCC(=O)OC1CC(OC1CO)n1cc(c(=O)[nH]c1=O)C=CC(=O)NCC1C2C1CCC#CCC2	PC-id_89433345	527.566	NXJQVGMIPBCKMP-UHFFFAOYSA-N	00100010000000100111110000000000000000000000000000000000	22-01-179145
N#CC1C[C@H]2[C@@H](N1C(=O)CN[C@@H](CC(c1nn[nH]n1)(c1ccc(cc1)C(=O)N)c1ccc(cc1)C(=O)N)C)C2	PC-id_70647640,SCHEMBL12064210	527.578	ACJNCVPBFUFVMJ-RNDVKZQYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-179146
N#CC1C[C@H]2[C@@H](N1C(=O)CN[C@H](CC(c1nn[nH]n1)(c1ccc(cc1)C(=O)N)c1ccc(cc1)C(=O)N)C)C2	SCHEMBL12063989,PC-id_70647459	527.578	ACJNCVPBFUFVMJ-MDQNFCBESA-N	00100010100000110001010000000000000000000000000000000000	22-01-179147
N#C[C@@H]1C[C@H]2[C@@H](N1C(=O)CN[C@H](CC(c1nn[nH]n1)(c1ccc(cc1)C(=O)N)c1ccc(cc1)C(=O)N)C)C2	PC-id_57727931,SCHEMBL12055267	527.578	ACJNCVPBFUFVMJ-XSLZUNGDSA-N	00100010100000110001010000000000000000000000000000000000	22-01-179148
N#C[C@@H]1C[C@H]2[C@@H](N1C(=O)CN[C@@H](CC(c1nn[nH]n1)(c1ccc(cc1)C(=O)N)c1ccc(cc1)C(=O)N)C)C2	PC-id_57728120,SCHEMBL12055268	527.578	ACJNCVPBFUFVMJ-ALALXSPKSA-N	00100010100000110001010000000000000000000000000000000000	22-01-179149
COc1ccc(cc1)CC(C(=O)N1CC[N+]2(C(C1CCCN)O2)CC(=O)O)NC(=O)OCc1ccccc1	PC-id_88129915	527.589	JEULQIGSSPFERK-UHFFFAOYSA-O	00100000000010110001010000000000000000000000000000000000	22-01-179150
NCCCC1N(CC[N@@+]2([C@H]1O2)CC(=O)O)C(=O)C(Cc1ccc(cc1)OC)NC(=O)OCc1ccccc1	SCHEMBL7341380	527.589	JEULQIGSSPFERK-YFJOSKOHSA-O	00100000000010110001010000000000000000000000000000000000	22-01-179151
CC(C)(C)NC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CCC1)C(=O)C(=O)N)C2(F)F)C(C)(C)C	BindingDB-id_32118,BindingDB_PC-id_23647812,PC-id_23647812	527.604	NZADTYIDOHSVBG-ADEOBCBWSA-N	00101010000000000000010000000000000000000000000000000000	22-01-179152
CC(C)(C)NC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)N[C@@H](CC1CCC1)C(=O)C(=O)N)C2(F)F)C(C)(C)C	CHEMBL226763,PC-id_44422892	527.604	NZADTYIDOHSVBG-LVZNNFHISA-N	00101010000000000000010000000000000000000000000000000000	22-01-179153
C(=O)(NC(CC1CCC1)C(=O)C(=O)N)[C@@H]1[C@@H]2[C@@H](C2(F)F)CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C	569678-00-8,SCHEMBL13691625,PC-id_57842037	527.604	NZADTYIDOHSVBG-VGDGAYLZSA-N	00101010000000000000010000000000000000000000000000000000	22-01-179154
C(=O)(N[C@@H](CC1CCC1)C(=O)C(=O)N)[C@@H]1[C@@H]2[C@@H](C2(F)F)CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C	941569-95-5,GD-id_ZINC14965904	527.604	NZADTYIDOHSVBG-IQWQSGHPSA-N	00101010000000000000010000000000000000000000000000000000	22-01-179155
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CCCC(C(=O)C(=O)N)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(Cl)Cl)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C	SCHEMBL12605569,PC-id_57842439	535.461	HPHNLQQVHQYFAH-CAWYOGTCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-180426
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C=CCOCc1ccc(nc1NC(=O)[C@@H]1C[C@@]2([C@H](N1C(=O)OC(C)(C)C)C2)CN(CC=C)C)Br	PC-id_142420500	535.474	LKCIIINZLPCQFR-CEYNDMKZSA-N	00100010000000101000010000000000000000000000000000000000	22-01-180428
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CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1nccc(c1)C#Cc1cnc2c(c1)N2N=O	PC-id_144888952	535.52	MVSVUPDLAHGHHT-UHFFFAOYSA-N	00100000000010111001010000000000000000000000000000000000	22-01-180434
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FC(F)(F)Oc1cc(CN(CC2C3C2CN(C3)CC(=O)N2CC(CC2)CO)C(=O)c2ncn(c2)C)ccc1	PC-id_69664956,SCHEMBL6102728	535.559	IPHPTUDWHGHBIG-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-180446
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CC1CC(CC(=C)C1)CCC(=O)O[C@@H](C)OC(=O)[C@@]1([C@@H](C[C@@H]2C1[C@]2(C(=O)O)F)OCc1ccc(cc1)F)N	PC-id_137489494,SCHEMBL20731999	535.577	WAWAWCWHARCYDH-VYGGNTCXSA-N	00100010000010110000010000000000000000000000000000000000	22-01-180449
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C1CC1[C@H](c1cc(c(cc1)C(F)(F)F)F)NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)c1cc(ncc1)S(=O)(=O)C1CC1	SCHEMBL20791271,PC-id_137544532	551.553	RRTYSSYUJJWKIU-UQHZHQPPSA-N	00100010000000111000010000000000000000000000000000000000	22-01-182935
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[Si](O[C@H]1[C@@H]2O[C@@H]2[C@@H]([C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)COCc1ccccc1)(C(C)(C)C)(C)C	PC-id_10053545	560.796	BIAFFDAASFMYGW-VVDMMIJUSA-N	00100000000010110000010000000000000000000000000000000000	22-01-184290
[Si](O[C@H]1[C@H]2O[C@H]2[C@@H]([C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)COCc1ccccc1)(C(C)(C)C)(C)C	PC-id_10325493	560.796	BIAFFDAASFMYGW-BHUGEAGMSA-N	00100000000010110000010000000000000000000000000000000000	22-01-184291
[Si](O[C@@H]1[C@@H]2O[C@@H]2[C@@H]([C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)COCc1ccccc1)(C(C)(C)C)(C)C	PC-id_10325494	560.796	BIAFFDAASFMYGW-VIPZWBODSA-N	00100000000010110000010000000000000000000000000000000000	22-01-184292
[Si](O[C@@H]1[C@H]2O[C@H]2[C@@H]([C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)COCc1ccccc1)(C(C)(C)C)(C)C	PC-id_10437803	560.796	BIAFFDAASFMYGW-LPQZNVNGSA-N	00100000000010110000010000000000000000000000000000000000	22-01-184293
Cc1ccc(c(n1)C(=O)N1C[C@@H]2CC2C[C@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)c1ccccc1	PC-id_144077777	560.801	RRGYORQYXJOBJK-WYMOGZRNSA-N	00100000000010111000110000000000000000000000000000000000	22-01-184294
Cc1ccc(c(n1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)c1ccccc1	SCHEMBL610794,PC-id_66742902	560.801	RRGYORQYXJOBJK-NGDRWEMDSA-N	00100000000010111000110000000000000000000000000000000000	22-01-184295
[Si](OCC1N(CC2C(C2)C1)C(=O)c1nc(ccc1c1ccccc1)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_77183660	560.801	RRGYORQYXJOBJK-UHFFFAOYSA-N	00100000000010111000110000000000000000000000000000000000	22-01-184296
NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)c2ccccc2Cl)cc1Br	SCHEMBL17024760,BindingDB_PC-id_118323380,BindingDB-id_671444,PC-id_118323380	560.803	MNGCWVCWHPIDOP-DPMMWBKBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-184297
CCCC/C=C/[C@@H]1[C@@H]2[C@@]1(CCCCC(=O)OCC)C(=O)C[C@H]2O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_100997461	560.839	MMQURZYZBKYRIQ-HNNIMVTASA-N	00100010000000110000010000000000000000000000000000000000	22-01-184298
O=C(NC(C(C1(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])[2H])([2H])[2H])C(=O)C(=O)N)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@@H](NC(=O)NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])CC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]	PC-id_49855434	560.87	MSKGTLMRZXSGQS-PEXUVHHBSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184299
O=C(NC(C(C1CCC1)([2H])[2H])(C(=O)C(=O)N)[2H])[C@H]1N(C[C@H]2[C@@H]1C2(C([2H])([2H])[2H])C([2H])([2H])[2H])C(=O)[C@@H](NC(=O)NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])CC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]	PC-id_49858316	560.87	MSKGTLMRZXSGQS-SPCPNPABSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184300
[Si](O[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C)(CC(C1CC2OC2(CC1)C)C)(C)C	PC-id_58372478	560.946	GNGUIQMKRKMCKX-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-184301
ClC1(Cl)[C@H]2C1CN([C@@H]2C(=O)NC(CCC)C(=O)C(=O)N)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1	PC-id_58751060	561.498	GANKYBGKENWJSR-CNFALQKSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-184334
CC(C(=O)OCOC(=O)[C@@H]1[C@H](CSc2ccc(c(c2)Cl)F)[C@H]([C@@H]2[C@H]1[C@H]2C(=O)OCOC(=O)C(C)C)O)C	SCHEMBL19366533	561.017	ZATNIEDQSMRMEL-WONDWGOMSA-N	00100010000010110000010000000000000000000000000000000000	22-01-184302
CO[Si](C1CCCC1)(O[Si](O[Si](C1CCCC1)(C)C)(C)C)O[Si](CCC1CCC2C(C1)O2)(OC)C	PC-id_60136184,SCHEMBL9907087	561.019	QJLBVWQYERKAFS-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-184303
CCCN1CC2C(C1)C2CN(C(=O)c1ncn(c1)CCc1ccc(cc1)OC(F)(F)F)Cc1cccc(c1)Cl	PC-id_69665150,SCHEMBL6103149	561.038	ADJDFYGQMCWYQP-UHFFFAOYSA-N	00100010100000110001010000000000000000000000000000000000	22-01-184304
CCC(CC)(C1CCCCC1)NC(=O)CN=C(C(C12N[I]1N2)I)N	PC-id_164067053	561.046	WLVMDACKEBPXOW-UHFFFAOYSA-N	00100000000010000001010000000000000000000000000000000000	22-01-184305
C1[C@H]2[C@@H]1N([C@@H](C2)C(=O)Nc1cccc(c1F)c1ccccc1Cl)C(=O)Cn1cc(c(n1)C(N)O)Br	PC-id_164169200	561.058	ZTUIPWBJUYUSJA-JYKKFGDBSA-N	00100010100000110001110000000000000000000000000000000000	22-01-184306
C1C2C1(C(=O)NC(C2(F)F)CN3C(=NN(C3=O)CC4=NN(C=N4)C5=C(C=CC=N5)Cl)C6=CC=C(C=C6)Cl)N	PC-id_155055931	561.101	VUYBUPRLPGQIRC-UHFFFAOYSA-N	00100000100010111001110000000000000000000000000000000000	22-01-184307
CC1=C(N=C(C=C1)Br)CC(=O)[C@@H]2C[C@]3(C[C@H]3N2C(=O)CC4=CC(=CC(=C4)C(=O)N)C5=CN=C(N=C5)C)C	PC-id_161656520	561.138	XALCLIMUXDLWNO-SAYMBASOSA-N	00100010000000111001110000000000000000000000000000000000	22-01-184308
CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)CC=C(C)C)(C)C)O)C(=Cc1ccccn1)Cl)C	PC-id_90847924	561.152	VBRRLWCQQHWQHB-UHFFFAOYSA-N	00100000000000101100010000000000000000000000000000000000	22-01-184309
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)COC3C=CC(=C[C@@H]3O)OC(F)(F)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C(=O)S)C	PC-id_165416297	561.176	NCZVWHBBLROKCA-KCBRLQAGSA-N	00100010000011000000010000000000000000000000000000000000	22-01-184310
CC1C(C(=O)C1/C(=C(CS)/C=C/1CCN(C1=O)C1CC1)/C(=O)O)CCC(=O)/C(=N/O)/C1CC2CC2(SC1)N	PC-id_163925409	561.197	REBCVDRJZAXBMS-LRXDQXGZSA-N	00101010000010000000110000000000000000000000000000000000	22-01-184311
CC1(C2C1C(N(C2)C(=O)[C@H](C3CCCCC3)NS(=O)(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C#N)C	PC-id_164701799	561.223	VKELCWVLNDHDSK-NJMDGFBDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-184312
CC1(C2C1C(N(C2)C(=O)[C@H](C3CCC(CC3)(F)F)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C#N)C	PC-id_164701749	561.237	XRLPKMRYEYIYSN-RDEYLLNZSA-N	00100010000010000000010000000000000000000000000000000000	22-01-184313
[B]c1cc(c(c(c1)C(=O)OC)N=C1C2CC2C(=Cc2ccc(cc2)N(c2ccccc2)c2ccccc2)C(=O)N1CC)[B]	PC-id_89370900	561.245	POWMETYOKIOELS-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-184314
C[C@@H](C1=NC=CN1[C@H](CNC(=O)OC(C)(C)C)C2=NOC(=C2)C3=CC=C(C=C3)C#CC4C5C4CN(C5)C(=O)OC)O	PC-id_153592968	561.259	LBHXRLPXQHUASP-MQIRQKFTSA-N	00100010100000110001110000000000000000000000000000000000	22-01-184315
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)NC)O)C	PC-id_165368436	561.277	QDKCXRMRZLIIFP-OGEQHFGCSA-N	00100010000000000000010000000000000000000000000000000000	22-01-184316
CCCCC(=O)OCC1=NC(=CS1)C=C(C)C2(C(C3(C(O3)CCCCCCC(=O)CCCC(=O)O2)C)(C)C)C	PC-id_161728928	561.312	XJOZEBFSAGEQNR-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-184317
O=C(N(c1ccc(c(c1)F)N1CCOCC1)CC1C2C1CN(C2)C(=O)c1ccc(cc1)C(C)(C)C)c1cccs1	SCHEMBL2170216,PC-id_67303393	561.71	WAJXUCSXBUMKFM-UHFFFAOYSA-N	00100010100110110001110000000000000000000000000000000000	22-01-184381
C[C@H](CC1CCCCC1)C(=O)N1CC2C(O2)(C(C1)(C)C)Cn1cc(c(cc1=O)c1ccccc1)C(=O)N(C)C(C)C	PC-id_163865604	561.357	PGISUCYNILVQDA-KUOVJVAGSA-N	00100000000010111000110000000000000000000000000000000000	22-01-184318
CC(=O)NC1C2C(C2C(C1OCc1cc(c(cc1)Cl)Cl)(C(=O)OCOC(=O)C)N)C(=O)OCOC(=O)C	PC-id_89798374	561.366	GPRJCKRENCLSED-UHFFFAOYSA-N	00100010000010110000010000000000000000000000000000000000	22-01-184319
CC(=O)N[C@H]1[C@H]2[C@@H]([C@H]2[C@]([C@@H]1OCc1ccc(c(c1)Cl)Cl)(N)C(=O)OCOC(=O)C)C(=O)OCOC(=O)C	SCHEMBL15249471	561.366	GPRJCKRENCLSED-AZAHOWTPSA-N	00100010000010110000010000000000000000000000000000000000	22-01-184320
CC(C)[C@@H](Cc1cc(c(cc1)OC)OCCCOC)C[C@@H](C(C[C@@H](C(C)C)C(=O)NCC12CC1COC2)N=O)N	PC-id_164108303	561.378	XUSGDUYGZLSRRG-PUAJLRGDSA-N	00100010000000110000010000000000000000000000000000000000	22-01-184321
CCCC(C(=O)C(=O)N)NC(=O)[C@H]1N(CC2C1C2(Cl)Cl)C(=O)[C@H](C1CCCCC1)NC(=O)OC(C)(C)C	SCHEMBL10140494,PC-id_58605442	561.498	GANKYBGKENWJSR-PAOLREHBSA-N	00100010000010000000010000000000000000000000000000000000	22-01-184322
CCCC(C(=O)C(=O)N)NC(=O)[C@H]1N(C[C@@H]2[C@H]1C2(Cl)Cl)C(=O)[C@H](C1CCCCC1)NC(=O)OC(C)(C)C	PC-id_57842168,SCHEMBL13689647	561.498	GANKYBGKENWJSR-QCLGFWRNSA-N	00100010000010000000010000000000000000000000000000000000	22-01-184323
CCC[C@@H](C(=O)C(=O)N)NC(=O)C1N(CC2C1C2(Cl)Cl)C(=O)C(C1CCCCC1)NC(=O)OC(C)(C)C	SCHEMBL14451258,PC-id_58908721	561.498	GANKYBGKENWJSR-MVHQMTIDSA-N	00100010000010000000010000000000000000000000000000000000	22-01-184324
CCC[C@H](C(=O)C(=O)N)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(Cl)Cl)C(=O)[C@H](C1CCCCC1)NC(=O)OC(C)(C)C	GD-id_ZINC29129787	561.498	GANKYBGKENWJSR-ADHGMGHFSA-N	00100010000010000000010000000000000000000000000000000000	22-01-184325
CCC[C@@H](C(=O)C(=O)N)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(Cl)Cl)C(=O)[C@H](C1CCCCC1)NC(=O)OC(C)(C)C	GD-id_ZINC29129789,SCHEMBL14583448,PC-id_58705920	561.498	GANKYBGKENWJSR-ATIWLJMLSA-N	00100010000010000000010000000000000000000000000000000000	22-01-184326
CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(Cl)Cl)C(=O)C(=O)N	CHEMBL404182,PC-id_10370592,SCHEMBL10226915	561.498	GANKYBGKENWJSR-JBGVAKJSSA-N	00100010000010000000010000000000000000000000000000000000	22-01-184327
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(=O)N)C2(Cl)Cl)C(C)(C)C	CHEMBL271453,PC-id_10099362,SCHEMBL8251056	561.498	NAIXCSITWYMQPO-VGDGAYLZSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184328
ClC1(Cl)C2C1CN(C2C(=O)NC(CC1CCC1)C(=O)C(=O)N)C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C	SCHEMBL8355189,PC-id_21017461	561.498	NAIXCSITWYMQPO-UHFFFAOYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184329
ClC1(Cl)C2C1CN(C2C(=O)NC(CCC)C(=O)C(=O)N)C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1	PC-id_21017653	561.498	GANKYBGKENWJSR-UHFFFAOYSA-N	00100010000010000000010000000000000000000000000000000000	22-01-184330
ClC1(Cl)C2C1CN([C@@H]2C(=O)NC(CC1CCC1)C(=O)C(=O)N)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	PC-id_58605493,SCHEMBL14378350	561.498	NAIXCSITWYMQPO-UBICHJKXSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184331
ClC1(Cl)C2C1CN([C@@H]2C(=O)NC(CC1CCC1)C(=O)C(=O)N)C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C	PC-id_58605705,SCHEMBL10140718	561.498	NAIXCSITWYMQPO-KUNBBXKYSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184332
ClC1(Cl)[C@H]2C1CN([C@@H]2C(=O)NC(CC1CCC1)C(=O)C(=O)N)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	PC-id_58751014,SCHEMBL16298064	561.498	NAIXCSITWYMQPO-PRBAEBOXSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184333
ClC1(Cl)[C@H]2[C@@H]1CN([C@@H]2C(=O)NC(CC1CCC1)C(=O)C(=O)N)C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C	PC-id_58605953,SCHEMBL10174267	561.498	NAIXCSITWYMQPO-GZOJWHRLSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184335
ClC1(Cl)[C@@H]2[C@H]1CN([C@@H]2C(=O)NC(CC1CCC1)C(=O)C(=O)N)C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C	SCHEMBL13689717,PC-id_57841957	561.498	NAIXCSITWYMQPO-HCBPCCMXSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184336
ClC1(Cl)[C@H]2[C@@H]1CN([C@@H]2C(=O)N[C@@H](CC1CCC1)C(=O)C(=O)N)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	PC-id_58605884,SCHEMBL13691530,GD-id_ZINC29129689	561.498	NAIXCSITWYMQPO-IQWQSGHPSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184337
ClC1(Cl)[C@H]2[C@@H]1CN([C@@H]2C(=O)N[C@H](CC1CCC1)C(=O)C(=O)N)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	SCHEMBL10174469,PC-id_58605143,GD-id_ZINC29129691	561.498	NAIXCSITWYMQPO-ULQWZQFMSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184338
O=C(OC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2C([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(Cl)Cl	PC-id_143353401	561.498	NAIXCSITWYMQPO-FTENBXGMSA-N	00101010000000000000010000000000000000000000000000000000	22-01-184339
C=C[C@@]12C[C@H](N([C@@H]1C2)C(=O)OC(C)(C)C)C(=O)Nc1nc(Br)ccc1CC(=O)N(CCCCC=C)C	PC-id_142420848	561.511	SWGFSFFIYKBJLE-VKIDHGPPSA-N	00100010000000101000010000000000000000000000000000000000	22-01-184340
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OC(=O)C1[C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@@H]1[C@H]2C([C@H]2CN1C(=O)C(C)(C)C)C(=O)O)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)[C@@H]2C(=O)O	PC-id_101096118	561.538	VPDFVCHTWJBSRJ-VEFCFTPISA-N	00100010000000000000010000000000000000000000000000000000	22-01-184343
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ClC1(Cl)[C@H]2[C@@H]1CN([C@@H]2C(NC(CCC)C(=O)C(=O)N)C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1	PC-id_49771920	561.541	ZKKCKNYZYZQIGJ-WJSFSPLASA-N	00100010000010000000010000000000000000000000000000000000	22-01-184345
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[Si](OC1C2C(C2(C)C)C(C(C1)C(OC)OC)COC(=O)C(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85372447	566.843	YRZYKNSONFQYOM-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-185013
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ClCC1C2C1CN(C2)Cc1ccc(cc1)C#Cc1ccc(cc1)CC(c1nc[nH]c(=O)c1O)C(=O)NCC(F)F	PC-id_142470973	567.026	SZJZQJSNDBRWFV-UHFFFAOYSA-N	00100010000000110001010000000000000000000000000000000000	22-01-185031
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CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)CCC=C)(C)C)O)C(=Cc1csc(n1)C)Cl)C	PC-id_90820272	567.18	FMVOWDXSPTWYDI-UHFFFAOYSA-N	00100000100000000101010000000000000000000000000000000000	22-01-185035
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CCCCCCCC1OC1CCCCCCCCOC(=O)C1CC2OC2CC1C(=O)OCCCCCCCCC1OC1CCCCCCC	PC-id_101829166	691.033	QOPZXBZORPPEGS-UHFFFAOYSA-N	00100000000010000000010000000000000000000000000000000000	22-01-199199
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COc1ccccc1C(CN(C(=O)c1cnn(c1C(F)(F)F)C1CCC(CC1)(C)C(=O)O)C1C[C@@H]2[C@H](C1)C2(C)C)O	PC-id_118383006,SCHEMBL17097705	577.635	FZGIKJUKVYUFOM-PFBHHZOSSA-N	00100010100010110001110000000000000000000000000000000000	22-01-186276
COc1ccccc1C(CN(C(=O)c1cnn(c1C(F)(F)F)C1CCC(CC1)(C)C(=O)O)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C)O	SCHEMBL17097703	577.635	FZGIKJUKVYUFOM-QWNAAXKNSA-N	00100010100010110001110000000000000000000000000000000000	22-01-186277
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COc1ccccc1[C@H](CN(C(=O)c1cnn(c1C(F)(F)F)[C@@H]1CC[C@@](CC1)(C)C(=O)O)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C)O	SCHEMBL17110721	577.635	FZGIKJUKVYUFOM-OTHUDPBUSA-N	00100010100010110001110000000000000000000000000000000000	22-01-186281
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[Si](O[Si](O[Si](CCC1CC2OC2CC1)(C)C)(c1ccccc1)c1ccccc1)(CCC1CC2OC2CC1)(C)C	PC-id_58372477	580.978	BDFVSCNDXGQQIH-UHFFFAOYSA-N	00100000000010110000010000000000000000000000000000000000	22-01-186599
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