smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1OC[C@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001585934 557274494 /nfs/dbraw/zinc/27/44/94/557274494.db2.gz NUEYNCYZLMDDHY-GOSISDBHSA-N 0 0 411.885 4.431 40 10 HICBRN CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000005237271 557641031 /nfs/dbraw/zinc/64/10/31/557641031.db2.gz HVUQZTCRMFPPDX-LGMDPLHJSA-N 0 0 423.556 4.029 40 10 HICBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)N2CCCC2)C1=O ZINC000005370949 557647405 /nfs/dbraw/zinc/64/74/05/557647405.db2.gz WBDBBVMLCKUPAO-BEQKSFQUSA-N 0 0 400.569 4.237 40 10 HICBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cccc(O)c2)C1=O ZINC000005370985 557647583 /nfs/dbraw/zinc/64/75/83/557647583.db2.gz CSSVUHIBHAPPHY-RZTVDGLLSA-N 0 0 410.520 4.178 40 10 HICBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)c(OC)c1 ZINC000005371405 557647751 /nfs/dbraw/zinc/64/77/51/557647751.db2.gz LOZZMIQOQZGFSK-ZDLGFXPLSA-N 0 0 417.508 4.127 40 10 HICBRN COc1ccc(CCN2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)cc1 ZINC000005371372 557647838 /nfs/dbraw/zinc/64/78/38/557647838.db2.gz GZLXZJLBOJUOED-UYRXBGFRSA-N 0 0 415.536 4.156 40 10 HICBRN COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c(OC)c1 ZINC000005551953 557661130 /nfs/dbraw/zinc/66/11/30/557661130.db2.gz IHRIMAXMVMKZCP-SXGWCWSVSA-N 0 0 402.453 4.018 40 10 HICBRN CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)SC1=S ZINC000408727776 557783014 /nfs/dbraw/zinc/78/30/14/557783014.db2.gz XNPZEBZVBDZKPG-LFIBNONCSA-N 0 0 414.464 4.035 40 10 HICBRN O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000008821567 557810774 /nfs/dbraw/zinc/81/07/74/557810774.db2.gz AWURBUVNUNMQEF-DHDCSXOGSA-N 0 0 423.346 4.469 40 10 HICBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000214657831 558262852 /nfs/dbraw/zinc/26/28/52/558262852.db2.gz JUVUROZPIHBOKL-XMHGGMMESA-N 0 0 409.511 4.208 40 10 HICBRN COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1 ZINC000015008450 558699488 /nfs/dbraw/zinc/69/94/88/558699488.db2.gz GPJJJQJWGMLVJR-LDADJPATSA-N 0 0 400.525 4.176 40 10 HICBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)c(C)c1 ZINC000100900699 558801415 /nfs/dbraw/zinc/80/14/15/558801415.db2.gz BLQLYXPJSHXHPC-ZRBLBEILSA-N 0 0 414.461 4.060 40 10 HICBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c(OC)c1 ZINC000016789980 558807273 /nfs/dbraw/zinc/80/72/73/558807273.db2.gz GEPPHEIZRJUPLB-ZDLGFXPLSA-N 0 0 414.508 4.068 40 10 HICBRN C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000019718768 558982133 /nfs/dbraw/zinc/98/21/33/558982133.db2.gz JEHILBHOBSLNIO-QGZVFWFLSA-N 0 0 407.539 4.067 40 10 HICBRN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)OCc2ccccc2)cc1 ZINC000000820357 559281154 /nfs/dbraw/zinc/28/11/54/559281154.db2.gz CQKZMBGMOOBZGM-HAVVHWLPSA-N 0 0 400.478 4.267 40 10 HICBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408770491 560639025 /nfs/dbraw/zinc/63/90/25/560639025.db2.gz YBVYNVYMKURHNF-UHFFFAOYSA-N 0 0 403.774 4.262 40 10 HICBRN COc1ccccc1/C=C1/N=C(c2ccccc2OC)N(c2ccc(O)cc2)C1=O ZINC000408847313 560646662 /nfs/dbraw/zinc/64/66/62/560646662.db2.gz UYBKTPNIBXLNSG-HMMYKYKNSA-N 0 0 400.434 4.244 40 10 HICBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000408892221 560650946 /nfs/dbraw/zinc/65/09/46/560650946.db2.gz HIDYNXPCUWSDTA-YBEGLDIGSA-N 0 0 422.319 4.176 40 10 HICBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000409012773 560665694 /nfs/dbraw/zinc/66/56/94/560665694.db2.gz KNRJDDIKQWFEAS-BKAYVGFPSA-N 0 0 412.511 4.390 40 10 HICBRN CCCN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N(c2ccccc2)C1=S ZINC000409017057 560666686 /nfs/dbraw/zinc/66/66/86/560666686.db2.gz DUMMWWWPTVPOQT-KNTRCKAVSA-N 0 0 423.538 4.224 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000409021538 560666849 /nfs/dbraw/zinc/66/68/49/560666849.db2.gz MKJXXNHQSCSGMS-PXNMLYILSA-N 0 0 411.841 4.254 40 10 HICBRN COCCN1C(=O)[C@@H](Cc2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000409140618 560683369 /nfs/dbraw/zinc/68/33/69/560683369.db2.gz KTTUIGXYEHPUJH-GOSISDBHSA-N 0 0 421.971 4.337 40 10 HICBRN O=C1/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1c1ccccc1 ZINC000409141748 560683504 /nfs/dbraw/zinc/68/35/04/560683504.db2.gz JXDCWUIWAQNBLL-AQTBWJFISA-N 0 0 400.500 4.068 40 10 HICBRN O=C1[C@@H](Cc2cc3c(cc2Cl)OCO3)SC(=S)N1CCc1ccccc1 ZINC000409144197 560684335 /nfs/dbraw/zinc/68/43/35/560684335.db2.gz IQKQAJQCICTDQY-QGZVFWFLSA-N 0 0 405.928 4.083 40 10 HICBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1C ZINC000409159292 560684874 /nfs/dbraw/zinc/68/48/74/560684874.db2.gz SETQCOAJFJEOSP-XDHOZWIPSA-N 0 0 409.511 4.044 40 10 HICBRN Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409193165 560689751 /nfs/dbraw/zinc/68/97/51/560689751.db2.gz DGMKJQRFFUADIY-VIZOYTHASA-N 0 0 408.683 4.033 40 10 HICBRN CCCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S ZINC000409199817 560692357 /nfs/dbraw/zinc/69/23/57/560692357.db2.gz DYMCDDWOVGEDJG-XNTDXEJSSA-N 0 0 401.469 4.393 40 10 HICBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000409349711 560713421 /nfs/dbraw/zinc/71/34/21/560713421.db2.gz VZCCTDRTNRFGLP-GZTJUZNOSA-N 0 0 416.480 4.408 40 10 HICBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)SC1=S ZINC000409375377 560716158 /nfs/dbraw/zinc/71/61/58/560716158.db2.gz JVTKDCNPCAYQMF-WQRHYEAKSA-N 0 0 414.552 4.410 40 10 HICBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)SC1=S ZINC000409379495 560718453 /nfs/dbraw/zinc/71/84/53/560718453.db2.gz YICHAFBYQYQRNW-MFOYZWKCSA-N 0 0 417.512 4.232 40 10 HICBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)NC1=S ZINC000409390509 560718673 /nfs/dbraw/zinc/71/86/73/560718673.db2.gz DNSOSFJSWNNRDN-CPNJWEJPSA-N 0 0 409.555 4.038 40 10 HICBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1ccc(OC)cc1 ZINC000103917929 560735000 /nfs/dbraw/zinc/73/50/00/560735000.db2.gz CPWONJMYZUUQSY-QJOMJCCJSA-N 0 0 407.514 4.313 40 10 HICBRN Cc1ccc2c(c1C)N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 ZINC000004363150 560735394 /nfs/dbraw/zinc/73/53/94/560735394.db2.gz TVNPRIXLXXFHQA-DPLHUUCSSA-N 0 0 424.566 4.151 40 10 HICBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000106746629 560746041 /nfs/dbraw/zinc/74/60/41/560746041.db2.gz PNJSLACZPXIDFK-ODLFYWEKSA-N 0 0 412.511 4.390 40 10 HICBRN COc1ccc(/C=C/C(=O)NCc2ccc(N3CCCCC3)cc2)c(OC)c1OC ZINC000010113100 560764282 /nfs/dbraw/zinc/76/42/82/560764282.db2.gz RQCGSVANVXJTQZ-GXDHUFHOSA-N 0 0 410.514 4.032 40 10 HICBRN O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422872 560765682 /nfs/dbraw/zinc/76/56/82/560765682.db2.gz PKVOWDWFOIDQOR-CAOOACKPSA-N 0 0 416.543 4.275 40 10 HICBRN O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422958 560765701 /nfs/dbraw/zinc/76/57/01/560765701.db2.gz UILSYLFELYUTOL-VIZOYTHASA-N 0 0 404.582 4.197 40 10 HICBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000012642971 560783410 /nfs/dbraw/zinc/78/34/10/560783410.db2.gz GBPVETKHSCEYJD-UHFFFAOYSA-N 0 0 408.395 4.275 40 10 HICBRN O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000113834230 560805188 /nfs/dbraw/zinc/80/51/88/560805188.db2.gz PIYSORRKSAWFFM-YRNVUSSQSA-N 0 0 411.258 4.356 40 10 HICBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000014415022 560846283 /nfs/dbraw/zinc/84/62/83/560846283.db2.gz LFFCFFCCFPZFAL-QNGOZBTKSA-N 0 0 421.493 4.009 40 10 HICBRN CN(C)c1ccc([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1 ZINC000020120984 560880592 /nfs/dbraw/zinc/88/05/92/560880592.db2.gz QOPXLHFXIYSMDN-HSZRJFAPSA-N 0 0 402.546 4.002 40 10 HICBRN CCN1c2ccc(/C=C3/SC(=O)N(CC(=O)OC)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223537907 568551135 /nfs/dbraw/zinc/55/11/35/568551135.db2.gz QHQSFVVOYXPOIZ-VZWMTCDZSA-N 0 0 402.516 4.008 40 10 HICBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 ZINC000223575898 568552057 /nfs/dbraw/zinc/55/20/57/568552057.db2.gz JECMKVRZHGCGGW-XZOQPEGZSA-N 0 0 420.582 4.016 40 10 HICBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C ZINC000223575668 568552073 /nfs/dbraw/zinc/55/20/73/568552073.db2.gz HKDUVIJOUWYXPG-PKTZIBPZSA-N 0 0 420.582 4.016 40 10 HICBRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000223723647 568557516 /nfs/dbraw/zinc/55/75/16/568557516.db2.gz ZKDGHEREGGHSOH-DEOSSOPVSA-N 0 0 408.542 4.080 40 10 HICBRN Cc1cc(NC(=S)NCCCN2CCCc3ccccc32)ccc1N1CCCC1=O ZINC000225746854 568670854 /nfs/dbraw/zinc/67/08/54/568670854.db2.gz GHTHYUSSPRXMIQ-UHFFFAOYSA-N 0 0 422.598 4.251 40 10 HICBRN CCOC(=O)c1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1Cl ZINC000225748660 568671069 /nfs/dbraw/zinc/67/10/69/568671069.db2.gz UKMBTZXCGXOQHS-UHFFFAOYSA-N 0 0 405.951 4.330 40 10 HICBRN C[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 ZINC000225837946 568679561 /nfs/dbraw/zinc/67/95/61/568679561.db2.gz BUFCYZQRSBHILQ-CQSZACIVSA-N 0 0 420.376 4.333 40 10 HICBRN Cc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225956212 568688899 /nfs/dbraw/zinc/68/88/99/568688899.db2.gz XSRRGKXSCJBSQK-UHFFFAOYSA-N 0 0 424.618 4.252 40 10 HICBRN CC(C)OC(=O)c1c2cc(-c3ccncc3)ccn2c2c1C(=O)c1ccccc1C2=O ZINC000005234112 569005783 /nfs/dbraw/zinc/00/57/83/569005783.db2.gz SQGUULQYTZKNKN-UHFFFAOYSA-N 0 0 410.429 4.342 40 10 HICBRN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000026766077 569056532 /nfs/dbraw/zinc/05/65/32/569056532.db2.gz PZQPMOAIIAFBIA-GHVJWSGMSA-N 0 0 400.504 4.102 40 10 HICBRN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000006620306 569334044 /nfs/dbraw/zinc/33/40/44/569334044.db2.gz LDWDNICDLQBMKG-UHFFFAOYSA-N 0 0 420.465 4.066 40 10 HICBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3c(C)[nH]c4ccccc43)SC2=S)cc1 ZINC000038170941 569360860 /nfs/dbraw/zinc/36/08/60/569360860.db2.gz DHFIHNBMZJGWNH-WOJGMQOQSA-N 0 0 423.519 4.031 40 10 HICBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214981804 569361759 /nfs/dbraw/zinc/36/17/59/569361759.db2.gz RMUSKCWDWVORKT-CPNJWEJPSA-N 0 0 409.467 4.432 40 10 HICBRN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)cc21 ZINC000208192226 853806226 /nfs/dbraw/zinc/80/62/26/853806226.db2.gz HJLJGNHQLFDVIZ-HIPSJFSSSA-N 0 0 421.472 4.214 40 10 HICBRN Oc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000067898590 291271088 /nfs/dbraw/zinc/27/10/88/291271088.db2.gz MRIPJEKDNCLQBG-SFHVURJKSA-N 0 0 403.404 4.375 40 10 biogenic,in-vitro HICBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2cccnc12 ZINC000225840010 524666569 /nfs/dbraw/zinc/66/65/69/524666569.db2.gz MVDONBQKNYNUQW-INIZCTEOSA-N 0 0 422.554 4.128 40 10 HICBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000001095581 557178137 /nfs/dbraw/zinc/17/81/37/557178137.db2.gz YFWPUMGXHIJPLJ-XDHOZWIPSA-N 0 0 413.905 4.288 40 10 HICBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(O)cc1 ZINC000001182577 557231726 /nfs/dbraw/zinc/23/17/26/557231726.db2.gz MJAYRHXISNYYQR-LFIBNONCSA-N 0 0 418.927 4.276 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1c(F)cccc1Cl ZINC000408584961 557488214 /nfs/dbraw/zinc/48/82/14/557488214.db2.gz XEYGSIREAGYHNT-GDNBJRDFSA-N 0 0 416.792 4.265 40 10 HICBRN CCOc1cccc(/C=C2\C(=O)N(c3ccccc3Cl)C(C)=C2C(=O)OC)c1O ZINC000408585102 557488385 /nfs/dbraw/zinc/48/83/85/557488385.db2.gz AASNRVIODWASKN-QINSGFPZSA-N 0 0 413.857 4.322 40 10 HICBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C)C2=O)cc1 ZINC000004745245 557591654 /nfs/dbraw/zinc/59/16/54/557591654.db2.gz PPJGHIUNCUNKBE-PDGQHHTCSA-N 0 0 412.536 4.234 40 10 HICBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCC[C@@H]3CC)C2=O)cc1 ZINC000005214204 557640240 /nfs/dbraw/zinc/64/02/40/557640240.db2.gz AENDXIASIZBEDP-CQUHBBLWSA-N 0 0 418.584 4.078 40 10 HICBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCC[C@H]3CC)C2=O)cc1 ZINC000005214203 557640257 /nfs/dbraw/zinc/64/02/57/557640257.db2.gz AENDXIASIZBEDP-OKSBFYSISA-N 0 0 418.584 4.078 40 10 HICBRN COC(=O)c1ccc(NCN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1 ZINC000005334959 557645425 /nfs/dbraw/zinc/64/54/25/557645425.db2.gz VHKNXAUBFMWDKF-HYZSBJHASA-N 0 0 410.520 4.300 40 10 HICBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)c(OC)c1 ZINC000005371356 557647760 /nfs/dbraw/zinc/64/77/60/557647760.db2.gz UWPYRBKHYOCUKZ-NVMNQCDNSA-N 0 0 417.508 4.127 40 10 HICBRN CN1C(=O)/C(=C\c2ccc(C(=O)Nc3cc(Cl)ccc3O)cc2)SC1=S ZINC000005374802 557648645 /nfs/dbraw/zinc/64/86/45/557648645.db2.gz OQFTXQGFQKRKQO-OVCLIPMQSA-N 0 0 404.900 4.129 40 10 HICBRN COc1cc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)cc(OC)c1OC ZINC000006568843 557708408 /nfs/dbraw/zinc/70/84/08/557708408.db2.gz BELYJVOMYZYVRZ-BOPFTXTBSA-N 0 0 418.902 4.473 40 10 HICBRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1 ZINC000408708764 557735181 /nfs/dbraw/zinc/73/51/81/557735181.db2.gz SLLTVMNNWANKEB-IBGZPJMESA-N 0 0 417.509 4.484 40 10 HICBRN COc1ccc(C2=C/C(=C\c3cc(Br)c(OC)cc3OC)C(=O)O2)cc1 ZINC000083260556 558833136 /nfs/dbraw/zinc/83/31/36/558833136.db2.gz QVCPQSUDNXNNGG-RIYZIHGNSA-N 0 0 417.255 4.456 40 10 HICBRN Ic1nc(/N=N\c2ccccc2)[nH]c1I ZINC000104176087 559158680 /nfs/dbraw/zinc/15/86/80/559158680.db2.gz KJOFXVLWWCTAKZ-PFONDFGASA-N 0 0 423.983 4.034 40 10 HICBRN CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)cc1 ZINC000000857518 559290353 /nfs/dbraw/zinc/29/03/53/559290353.db2.gz RDTZMLHFVOTARG-UHFFFAOYSA-N 0 0 410.422 4.267 40 10 HICBRN Cn1cc2c3c1cccc3C1CC(CNC(=O)OCc3ccccc3)C[N@H+](C)C1C2 ZINC000000537987 560178179 /nfs/dbraw/zinc/17/81/79/560178179.db2.gz WZHJKEUHNJHDLS-JZWVFAODSA-N 0 0 403.526 4.065 40 10 in-vitro HICBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2F)N1c1ccc(O)cc1 ZINC000408763107 560629054 /nfs/dbraw/zinc/62/90/54/560629054.db2.gz HNEMSVRYHSCMKT-YBFXNURJSA-N 0 0 402.381 4.095 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000408793899 560641790 /nfs/dbraw/zinc/64/17/90/560641790.db2.gz GZDIILSTJDZEPF-BOPFTXTBSA-N 0 0 416.246 4.465 40 10 HICBRN 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ZINC000408794194 560641828 /nfs/dbraw/zinc/64/18/28/560641828.db2.gz IDSGFTXLPGIVLC-UNOMPAQXSA-N 0 0 407.466 4.285 40 10 HICBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)cc1Cl ZINC000408820704 560645467 /nfs/dbraw/zinc/64/54/67/560645467.db2.gz ZIQLIWZZDFYELY-PXNMLYILSA-N 0 0 404.875 4.200 40 10 HICBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000408896474 560650815 /nfs/dbraw/zinc/65/08/15/560650815.db2.gz YVNVNFCTRQGKJY-DHDCSXOGSA-N 0 0 403.265 4.261 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408891698 560650853 /nfs/dbraw/zinc/65/08/53/560650853.db2.gz BLQWCNJOSCDNMT-LFIBNONCSA-N 0 0 401.821 4.365 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1F ZINC000408892880 560650976 /nfs/dbraw/zinc/65/09/76/560650976.db2.gz KNPIMGTXDUUNES-WJDWOHSUSA-N 0 0 416.246 4.465 40 10 HICBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O ZINC000408959703 560657567 /nfs/dbraw/zinc/65/75/67/560657567.db2.gz DMQKRKOJABOPET-ZHZULCJRSA-N 0 0 421.522 4.270 40 10 HICBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(OC)c1OC ZINC000408971715 560659221 /nfs/dbraw/zinc/65/92/21/560659221.db2.gz KGMBBMKJJIJCMJ-ZROIWOOFSA-N 0 0 406.360 4.061 40 10 HICBRN CCCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)C(=O)N(c2ccccc2)C1=S ZINC000409022208 560666894 /nfs/dbraw/zinc/66/68/94/560666894.db2.gz JKDWARQCEWHZPO-HMMYKYKNSA-N 0 0 408.523 4.428 40 10 HICBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409020189 560667429 /nfs/dbraw/zinc/66/74/29/560667429.db2.gz MOZQHJLHTXRPFF-GHRIWEEISA-N 0 0 414.303 4.393 40 10 HICBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(C)c([N+](=O)[O-])c1 ZINC000409037516 560668900 /nfs/dbraw/zinc/66/89/00/560668900.db2.gz NVIVPCCGIRWBPA-BJMVGYQFSA-N 0 0 411.286 4.405 40 10 HICBRN COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2c(OC)cccc12 ZINC000409077323 560673043 /nfs/dbraw/zinc/67/30/43/560673043.db2.gz DPHZMVHZVFPHAH-JVVDOCDTSA-N 0 0 415.536 4.237 40 10 HICBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O ZINC000409101245 560677177 /nfs/dbraw/zinc/67/71/77/560677177.db2.gz SIMLKTBTDXHYEY-RQZCQDPDSA-N 0 0 401.444 4.067 40 10 HICBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000409149864 560683928 /nfs/dbraw/zinc/68/39/28/560683928.db2.gz SOWWLNVPQSTQCV-STZFKDTASA-N 0 0 421.566 4.398 40 10 HICBRN COc1ccc(Br)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O ZINC000409201014 560692769 /nfs/dbraw/zinc/69/27/69/560692769.db2.gz UMGDDNRFLLMLAX-OQLLNIDSSA-N 0 0 423.357 4.413 40 10 HICBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409229498 560698534 /nfs/dbraw/zinc/69/85/34/560698534.db2.gz PYPDCXQOPJJVHV-FYJGNVAPSA-N 0 0 400.482 4.199 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000409310030 560708591 /nfs/dbraw/zinc/70/85/91/560708591.db2.gz PIMYXHXRRCNWML-ZROIWOOFSA-N 0 0 416.792 4.265 40 10 HICBRN CCCOc1c(Br)cc(/C=C2/SC(=S)N(C)C2=O)cc1OCC ZINC000409332722 560710526 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CCc1ccc(/C=C2\SC(N3CCN(c4ccc(OC)cc4)CC3)=NC2=O)cc1 ZINC000009188207 132336930 /nfs/dbraw/zinc/33/69/30/132336930.db2.gz UWOPIYPZCFLSRB-PGMHBOJBSA-N 0 0 407.539 4.050 40 10 HICBRN COc1ccccc1/C=C1\SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O ZINC000009189240 536982118 /nfs/dbraw/zinc/98/21/18/536982118.db2.gz KMAFJRBTGRKCIG-UYRXBGFRSA-N 0 0 413.930 4.141 40 10 HICBRN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(F)c1 ZINC000005214222 557640283 /nfs/dbraw/zinc/64/02/83/557640283.db2.gz KCVOQXCGKRNZPO-YBEGLDIGSA-N 0 0 404.463 4.195 40 10 HICBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1O ZINC000005370840 557647387 /nfs/dbraw/zinc/64/73/87/557647387.db2.gz IDTXVYWXTMIWDC-YKYHQJSKSA-N 0 0 410.520 4.178 40 10 HICBRN COc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)c(OC)c1 ZINC000005551933 557661099 /nfs/dbraw/zinc/66/10/99/557661099.db2.gz UYAWPMXXHAJPPZ-SXGWCWSVSA-N 0 0 402.453 4.018 40 10 HICBRN O=C(c1ccc(Cl)cc1)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000005569230 557662679 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560719470 /nfs/dbraw/zinc/71/94/70/560719470.db2.gz YYXLKASIZOIBPZ-PTNGSMBKSA-N 0 0 402.928 4.138 40 10 HICBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1Br ZINC000006348336 560741196 /nfs/dbraw/zinc/74/11/96/560741196.db2.gz RGXVQDIWZNDBRY-VBKFSLOCSA-N 0 0 404.304 4.454 40 10 HICBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccccc1I ZINC000010113104 560764256 /nfs/dbraw/zinc/76/42/56/560764256.db2.gz PJZZOCKXRISATP-UHFFFAOYSA-N 0 0 420.294 4.212 40 10 HICBRN CC(NCc1cccs1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112291369 560778250 /nfs/dbraw/zinc/77/82/50/560778250.db2.gz CYOFKBAARAYUCR-HKWRFOASSA-N 0 0 418.478 4.471 40 10 HICBRN CCN1C(=O)C(=Cc2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C(=O)N(CC)C1=S ZINC000113776962 560803909 /nfs/dbraw/zinc/80/39/09/560803909.db2.gz DAJYVRLOKVYLIY-OAHLLOKOSA-N 0 0 413.587 4.096 40 10 HICBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1OCC ZINC000014415003 560846084 /nfs/dbraw/zinc/84/60/84/560846084.db2.gz GNABZLOIKQFNQK-FXBPSFAMSA-N 0 0 405.494 4.391 40 10 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40 10 HICBRN COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O ZINC000096505054 569360893 /nfs/dbraw/zinc/36/08/93/569360893.db2.gz GCKDBGDGYXJZTM-VCHYOVAHSA-N 0 0 401.509 4.427 40 10 HICBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O ZINC000205705089 569361334 /nfs/dbraw/zinc/36/13/34/569361334.db2.gz UAZOMBFBGGQLIW-LICLKQGHSA-N 0 0 418.902 4.347 40 10 HICBRN CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000206238571 569361525 /nfs/dbraw/zinc/36/15/25/569361525.db2.gz WRTQTGFBMAIIBA-LFIBNONCSA-N 0 0 418.927 4.285 40 10 HICBRN COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O ZINC000208261575 569361540 /nfs/dbraw/zinc/36/15/40/569361540.db2.gz XZTYGKIGEUIVTL-PFJSLNBISA-N 0 0 422.934 4.271 40 10 HICBRN O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000003132949 132262929 /nfs/dbraw/zinc/26/29/29/132262929.db2.gz BOFYIPNXCWAFKA-UHFFFAOYSA-N 0 0 413.389 4.178 40 10 HICBRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000225685558 520908510 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/nfs/dbraw/zinc/69/99/39/560699939.db2.gz OZBMGWGPKVZSCT-UNOMPAQXSA-N 0 0 400.500 4.176 40 10 HICBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC ZINC000409327020 560709621 /nfs/dbraw/zinc/70/96/21/560709621.db2.gz GOQZTFJCKSAYMS-BOPFTXTBSA-N 0 0 416.480 4.408 40 10 HICBRN CCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)SC1=S ZINC000409331278 560710332 /nfs/dbraw/zinc/71/03/32/560710332.db2.gz NPCYYGKGJDSIEL-DHDCSXOGSA-N 0 0 417.468 4.012 40 10 HICBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000409334964 560712190 /nfs/dbraw/zinc/71/21/90/560712190.db2.gz YHMSZMINLAKMOV-LDADJPATSA-N 0 0 413.520 4.030 40 10 HICBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(CC)C2=O)cc1Cl ZINC000409338729 560712669 /nfs/dbraw/zinc/71/26/69/560712669.db2.gz PALLFBDGBYIAHO-KPKJPENVSA-N 0 0 420.339 4.156 40 10 HICBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)c1 ZINC000409355981 560713601 /nfs/dbraw/zinc/71/36/01/560713601.db2.gz FVCZLWYDXZFBSQ-XDHOZWIPSA-N 0 0 409.511 4.044 40 10 HICBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409345218 560714644 /nfs/dbraw/zinc/71/46/44/560714644.db2.gz KJEBTICOVFZICO-BOPFTXTBSA-N 0 0 416.480 4.408 40 10 HICBRN CCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)SC1=S ZINC000409372210 560716892 /nfs/dbraw/zinc/71/68/92/560716892.db2.gz YHQPIEZJBSQMCZ-PDGQHHTCSA-N 0 0 412.536 4.234 40 10 HICBRN O=C1Nc2ccccc2/C1=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000001196603 560727730 /nfs/dbraw/zinc/72/77/30/560727730.db2.gz WKVHQSALXDBVJW-BUHFOSPRSA-N 0 0 406.410 4.434 40 10 HICBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OC ZINC000005470082 560737763 /nfs/dbraw/zinc/73/77/63/560737763.db2.gz WOXDGUSOJDZHHN-DHDCSXOGSA-N 0 0 401.260 4.272 40 10 HICBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O ZINC000106701969 560745458 /nfs/dbraw/zinc/74/54/58/560745458.db2.gz LVZVLWGBQJUXBK-ZHZULCJRSA-N 0 0 421.522 4.270 40 10 HICBRN COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000007496880 560751238 /nfs/dbraw/zinc/75/12/38/560751238.db2.gz HMQGNSIPCXSPDT-XVNBXDOJSA-N 0 0 407.297 4.491 40 10 HICBRN O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccc(Cl)cc1 ZINC000113834127 560805189 /nfs/dbraw/zinc/80/51/89/560805189.db2.gz DMNKCNVTXQFTTN-GIDUJCDVSA-N 0 0 420.855 4.383 40 10 HICBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c(F)c3)N21 ZINC000222680808 568523485 /nfs/dbraw/zinc/52/34/85/568523485.db2.gz IJYIIIGLIYNYQM-ZLGUVYLKSA-N 0 0 412.534 4.037 40 10 HICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000222787274 568526520 /nfs/dbraw/zinc/52/65/20/568526520.db2.gz SBASNBMRZWEECV-FGZHOGPDSA-N 0 0 406.555 4.490 40 10 HICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000222787025 568526524 /nfs/dbraw/zinc/52/65/24/568526524.db2.gz BISSOKDJOJJMAC-FGZHOGPDSA-N 0 0 406.555 4.490 40 10 HICBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000223008358 568534139 /nfs/dbraw/zinc/53/41/39/568534139.db2.gz HDWMTENOLAKMDU-VXKWHMMOSA-N 0 0 424.545 4.247 40 10 HICBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000223006464 568534164 /nfs/dbraw/zinc/53/41/64/568534164.db2.gz OHYKRHNCMLYURX-GOTSBHOMSA-N 0 0 420.582 4.416 40 10 HICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C)c1C ZINC000223580693 568552260 /nfs/dbraw/zinc/55/22/60/568552260.db2.gz OMYUSXSRAJPDJB-PKTZIBPZSA-N 0 0 420.582 4.071 40 10 HICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C)c1C ZINC000223580644 568552306 /nfs/dbraw/zinc/55/23/06/568552306.db2.gz OMYUSXSRAJPDJB-DHIUTWEWSA-N 0 0 420.582 4.071 40 10 HICBRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC000223696805 568556520 /nfs/dbraw/zinc/55/65/20/568556520.db2.gz CTFWVMCZMBYFNJ-OAHLLOKOSA-N 0 0 423.376 4.164 40 10 HICBRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1C(C)C ZINC000223702085 568556717 /nfs/dbraw/zinc/55/67/17/568556717.db2.gz CIBDTIWWUCHTAR-UHFFFAOYSA-N 0 0 402.560 4.287 40 10 HICBRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000224704148 568593114 /nfs/dbraw/zinc/59/31/14/568593114.db2.gz KTHIBNMBOYSTHR-UHFFFAOYSA-N 0 0 401.359 4.459 40 10 HICBRN CN1C(=O)C(=Cc2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N(C)C1=S ZINC000059139352 568701742 /nfs/dbraw/zinc/70/17/42/568701742.db2.gz SULWUMUKJBWDCV-UHFFFAOYSA-N 0 0 416.502 4.018 40 10 HICBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(O)c(OCC)c1 ZINC000059435437 568706694 /nfs/dbraw/zinc/70/66/94/568706694.db2.gz CPTHNAYAWWPUQJ-UYRXBGFRSA-N 0 0 407.466 4.367 40 10 HICBRN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=C1C(=O)OC2(CCCC2)OC1=O ZINC000059489888 568708003 /nfs/dbraw/zinc/70/80/03/568708003.db2.gz RHYVYCPRLAZQOV-INIZCTEOSA-N 0 0 414.458 4.117 40 10 HICBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCCCC1 ZINC000059489870 568708049 /nfs/dbraw/zinc/70/80/49/568708049.db2.gz USLWDGKXDVXANR-UHFFFAOYSA-N 0 0 414.458 4.119 40 10 HICBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N(C)C)c(Br)c2)S1 ZINC000260781340 568738984 /nfs/dbraw/zinc/73/89/84/568738984.db2.gz SQXCPLBTAVUYPD-OCBCSQNSSA-N 0 0 417.376 4.499 40 10 HICBRN COc1ccc([C@]2(c3ccc(O)cc3O)C[C@H](c3cccs3)NC(=S)N2)cc1 ZINC000001080847 568930445 /nfs/dbraw/zinc/93/04/45/568930445.db2.gz MKNRKGQMAKJDIF-UTKZUKDTSA-N 0 0 412.536 4.021 40 10 HICBRN CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCCC)C2=O)cc1OC ZINC000004749833 568934472 /nfs/dbraw/zinc/93/44/72/568934472.db2.gz JBADEODBQFDOKM-ATVHPVEESA-N 0 0 423.556 4.029 40 10 HICBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)cc1 ZINC000026676001 569052412 /nfs/dbraw/zinc/05/24/12/569052412.db2.gz QRCBGLNWMRISFV-UYRXBGFRSA-N 0 0 415.536 4.292 40 10 HICBRN COc1ccc(N2CCN(C(=O)c3cc(Br)c(C)c(C)c3C)CC2)cc1 ZINC000003881059 569321415 /nfs/dbraw/zinc/32/14/15/569321415.db2.gz LKNHYKSUUAJLOU-UHFFFAOYSA-N 0 0 417.347 4.345 40 10 HICBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000108074120 569361281 /nfs/dbraw/zinc/36/12/81/569361281.db2.gz YUOVLUQTYFBSSD-UNOMPAQXSA-N 0 0 413.880 4.481 40 10 HICBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1cccc(C)c1 ZINC000032109498 521974761 /nfs/dbraw/zinc/97/47/61/521974761.db2.gz FKKDDLYWVFWDMD-UYRXBGFRSA-N 0 0 415.536 4.292 40 10 HICBRN CC(C)N1CCCc2cc(CNC(=O)C3(c4cccc(F)c4)CCOCC3)ccc21 ZINC000019654879 535180242 /nfs/dbraw/zinc/18/02/42/535180242.db2.gz AYFZTDXKUMLGTI-UHFFFAOYSA-N 0 0 410.533 4.351 40 10 HICBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NC1CCCCC1 ZINC000001181100 557230883 /nfs/dbraw/zinc/23/08/83/557230883.db2.gz LGESLBHQUUIBAI-FOWTUZBSSA-N 0 0 408.976 4.380 40 10 HICBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1 ZINC000001181500 557231146 /nfs/dbraw/zinc/23/11/46/557231146.db2.gz YUZUWKNZRQJMQM-SDNWHVSQSA-N 0 0 403.554 4.072 40 10 HICBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1nccs1 ZINC000001183515 557232335 /nfs/dbraw/zinc/23/23/35/557232335.db2.gz VYPITJVGUJOBRH-JLHYYAGUSA-N 0 0 423.972 4.417 40 10 HICBRN CC1CCN(C(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 ZINC000005370860 557647430 /nfs/dbraw/zinc/64/74/30/557647430.db2.gz PNCWOJUZEWEBEF-WCTLISOUSA-N 0 0 400.569 4.093 40 10 HICBRN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)c1 ZINC000005371384 557647790 /nfs/dbraw/zinc/64/77/90/557647790.db2.gz KDCJRQCLRMMRQI-ZDLGFXPLSA-N 0 0 417.508 4.127 40 10 HICBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(O)c3)N=C2c2ccccc2)cc1 ZINC000005513762 557659000 /nfs/dbraw/zinc/65/90/00/557659000.db2.gz HVNDNZUGBXSTKW-XSFVSMFZSA-N 0 0 400.434 4.244 40 10 HICBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC1CCCCC1 ZINC000006147552 557691295 /nfs/dbraw/zinc/69/12/95/557691295.db2.gz LFKKYUDTUOCVRB-DQBOXZGESA-N 0 0 400.569 4.283 40 10 HICBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(-n2c(C)ccc2C)c1 ZINC000408706902 557734515 /nfs/dbraw/zinc/73/45/15/557734515.db2.gz DXJNEBKDYDIYOE-GOSISDBHSA-N 0 0 403.482 4.094 40 10 HICBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3cccc(Br)c3)S2)cc1 ZINC000008964449 557816508 /nfs/dbraw/zinc/81/65/08/557816508.db2.gz UWXKIPLNNHZDAF-YBEGLDIGSA-N 0 0 416.300 4.490 40 10 HICBRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000020461909 558373389 /nfs/dbraw/zinc/37/33/89/558373389.db2.gz SQHNWJFOXMSSEU-HXUWFJFHSA-N 0 0 404.963 4.364 40 10 HICBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccnc1 ZINC000012377612 558392586 /nfs/dbraw/zinc/39/25/86/558392586.db2.gz LFZKHTFDQPASFW-LFIBNONCSA-N 0 0 417.943 4.355 40 10 HICBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)cc1 ZINC000408757673 558769115 /nfs/dbraw/zinc/76/91/15/558769115.db2.gz BMLKJIVTQOOYOR-RCCKNPSSSA-N 0 0 400.409 4.447 40 10 HICBRN COc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000016692941 558800487 /nfs/dbraw/zinc/80/04/87/558800487.db2.gz ZKIXTHSXXGAIAX-UYRXBGFRSA-N 0 0 415.536 4.156 40 10 HICBRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000038757055 558814912 /nfs/dbraw/zinc/81/49/12/558814912.db2.gz LWNWINLQHUGVOI-QHCPKHFHSA-N 0 0 404.510 4.150 40 10 HICBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000058823424 558930470 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COc1ccccc1C1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccc(F)cc1 ZINC000408840758 560646041 /nfs/dbraw/zinc/64/60/41/560646041.db2.gz DNUOBMAVHRABDC-XDHOZWIPSA-N 0 0 416.408 4.398 40 10 HICBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000408894317 560650517 /nfs/dbraw/zinc/65/05/17/560650517.db2.gz PTURQNVUDZWULS-UYRXBGFRSA-N 0 0 407.466 4.285 40 10 HICBRN CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N(c2ccccc2)C1=S ZINC000409014895 560666268 /nfs/dbraw/zinc/66/62/68/560666268.db2.gz MAITVMZVOIODMN-NBVRZTHBSA-N 0 0 424.522 4.048 40 10 HICBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000409016104 560666512 /nfs/dbraw/zinc/66/65/12/560666512.db2.gz SHLIMDQJPIXKNO-BGARDKSCSA-N 0 0 416.474 4.221 40 10 HICBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409059080 560670884 /nfs/dbraw/zinc/67/08/84/560670884.db2.gz QUSAGTLIECTCQL-QNGOZBTKSA-N 0 0 422.525 4.112 40 10 HICBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(C)=C2C(=O)OC)ccc1O ZINC000409060646 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HICBRN O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409346643 560712891 /nfs/dbraw/zinc/71/28/91/560712891.db2.gz NHZQPNQQPYEOTG-SXGWCWSVSA-N 0 0 410.432 4.107 40 10 HICBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409346832 560713060 /nfs/dbraw/zinc/71/30/60/560713060.db2.gz LMZUUGPTMBJCLX-CXUHLZMHSA-N 0 0 419.911 4.298 40 10 HICBRN CC(=O)Oc1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)c(OC(C)=O)c1 ZINC000004993969 560736710 /nfs/dbraw/zinc/73/67/10/560736710.db2.gz QTIJADYEPIZHLR-JKSBSHDWSA-N 0 0 408.410 4.272 40 10 HICBRN CC(=O)Oc1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)c(OC(C)=O)c1 ZINC000004993971 560736711 /nfs/dbraw/zinc/73/67/11/560736711.db2.gz QTIJADYEPIZHLR-HOIFWPIMSA-N 0 0 408.410 4.272 40 10 HICBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000006348194 560741092 /nfs/dbraw/zinc/74/10/92/560741092.db2.gz UKGZVHYWLDOKON-WJDWOHSUSA-N 0 0 404.850 4.254 40 10 HICBRN 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568707600 /nfs/dbraw/zinc/70/76/00/568707600.db2.gz WBEMPZHFVIGLPL-RGEXLXHISA-N 0 0 414.377 4.338 40 10 HICBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(O)c1 ZINC000059959323 568709575 /nfs/dbraw/zinc/70/95/75/568709575.db2.gz BAXKIYHTLBZLAE-YVLHZVERSA-N 0 0 414.255 4.032 40 10 HICBRN CCOc1ccc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1OCC ZINC000006964430 569336465 /nfs/dbraw/zinc/33/64/65/569336465.db2.gz OFIUADJHYATJFC-HXUWFJFHSA-N 0 0 415.580 4.498 40 10 HICBRN COc1cc2c(cc1C[C@@H]1SC(=S)N(CCC3CCCCC3)C1=O)OCO2 ZINC000008114139 569339666 /nfs/dbraw/zinc/33/96/66/569339666.db2.gz RGEXRXIGLXCPMM-SFHVURJKSA-N 0 0 407.557 4.166 40 10 HICBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 ZINC000096505087 569360987 /nfs/dbraw/zinc/36/09/87/569360987.db2.gz RRTHENATYYWEHZ-GZTJUZNOSA-N 0 0 417.508 4.214 40 10 HICBRN CCN1c2ccc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)cc2[C@H](C)CC1(C)C ZINC000208308637 569361539 /nfs/dbraw/zinc/36/15/39/569361539.db2.gz GSSFCDSRCHEDAN-RFKJHBGOSA-N 0 0 416.543 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O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCc1ccccc1 ZINC000008820444 557810044 /nfs/dbraw/zinc/81/00/44/557810044.db2.gz BJCMIFVZLVDRDQ-AADXMYGNSA-N 0 0 422.575 4.193 40 10 HICBRN COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4C[C@@H](C)O[C@@H](C)C4)c32)cc1 ZINC000028287206 558694468 /nfs/dbraw/zinc/69/44/68/558694468.db2.gz AOIDULLWDOJGPD-GASCZTMLSA-N 0 0 424.497 4.317 40 10 HICBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NC3CCCCC3)C2=O)cc1 ZINC000017373761 558827343 /nfs/dbraw/zinc/82/73/43/558827343.db2.gz AWFNFDVZOYWWIX-NBVRZTHBSA-N 0 0 402.585 4.425 40 10 HICBRN C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000019717224 558979743 /nfs/dbraw/zinc/97/97/43/558979743.db2.gz KYHFQQDPRZZPQV-LJQANCHMSA-N 0 0 405.542 4.290 40 10 HICBRN CCN1C(=O)C(=Cc2ccc3c(c2)C(C)=CC(C)(C)N3CC)C(=O)N(CC)C1=S ZINC000113819955 559181449 /nfs/dbraw/zinc/18/14/49/559181449.db2.gz WYAXRAKPFYBELZ-UHFFFAOYSA-N 0 0 411.571 4.087 40 10 HICBRN COc1cc(C)c(C[C@@H]2SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000008372391 559288148 /nfs/dbraw/zinc/28/81/48/559288148.db2.gz JNHMNWJGWOOCDH-IBGZPJMESA-N 0 0 401.553 4.292 40 10 HICBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000408793124 560641829 /nfs/dbraw/zinc/64/18/29/560641829.db2.gz DELFZEAFSLZXDP-RGEXLXHISA-N 0 0 423.465 4.067 40 10 HICBRN Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)cc3)C2=O)c1 ZINC000408871234 560648999 /nfs/dbraw/zinc/64/89/99/560648999.db2.gz YEYLSFREJVYMLM-RCCKNPSSSA-N 0 0 414.436 4.391 40 10 HICBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC)cc1 ZINC000408895137 560650635 /nfs/dbraw/zinc/65/06/35/560650635.db2.gz TXIUWYBRFWEZLJ-QNGOZBTKSA-N 0 0 407.466 4.361 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408895252 560650653 /nfs/dbraw/zinc/65/06/53/560650653.db2.gz UMWAYUNWXNXJCY-WQRHYEAKSA-N 0 0 422.437 4.097 40 10 HICBRN COc1cc2nc3ccc(NC(=S)NNc4ccccc4)cc3nc2cc1OC ZINC000408993806 560663032 /nfs/dbraw/zinc/66/30/32/560663032.db2.gz FZQDHCWEJUWATH-UHFFFAOYSA-N 0 0 405.483 4.114 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000409016373 560666514 /nfs/dbraw/zinc/66/65/14/560666514.db2.gz RULGWPNJVMBZPP-YBEGLDIGSA-N 0 0 412.829 4.434 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000409021722 560666821 /nfs/dbraw/zinc/66/68/21/560666821.db2.gz UZDAACQVINCJCN-BOPFTXTBSA-N 0 0 413.857 4.234 40 10 HICBRN CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)C(=O)N(c2ccccc2)C1=S ZINC000409021460 560666863 /nfs/dbraw/zinc/66/68/63/560666863.db2.gz IYWVBUXIFUINCP-FXBPSFAMSA-N 0 0 421.566 4.487 40 10 HICBRN CCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)NC1=S ZINC000409076456 560673064 /nfs/dbraw/zinc/67/30/64/560673064.db2.gz AMWOPACUYYNZTQ-BOPFTXTBSA-N 0 0 418.360 4.324 40 10 HICBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O ZINC000409069845 560673134 /nfs/dbraw/zinc/67/31/34/560673134.db2.gz ATALCTLEXLHDPW-VZWMTCDZSA-N 0 0 418.902 4.345 40 10 HICBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 ZINC000409109209 560677637 /nfs/dbraw/zinc/67/76/37/560677637.db2.gz ZQCJOOIBJVFBPD-STZFKDTASA-N 0 0 408.523 4.377 40 10 HICBRN CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O ZINC000409166891 560686307 /nfs/dbraw/zinc/68/63/07/560686307.db2.gz HIHCXDVDFBVKIA-LZYBPNLTSA-N 0 0 422.710 4.423 40 10 HICBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000409340585 560711221 /nfs/dbraw/zinc/71/12/21/560711221.db2.gz ZQZSGHVCIVWOIF-SFQUDFHCSA-N 0 0 405.541 4.162 40 10 HICBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409339340 560712872 /nfs/dbraw/zinc/71/28/72/560712872.db2.gz HOGCWXFEPBTHKW-WQRHYEAKSA-N 0 0 413.520 4.261 40 10 HICBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(C)=O ZINC000409351154 560713778 /nfs/dbraw/zinc/71/37/78/560713778.db2.gz ZSXXGERAQGGPPA-UNOMPAQXSA-N 0 0 413.520 4.412 40 10 HICBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc(SC)cc1 ZINC000409386522 560719823 /nfs/dbraw/zinc/71/98/23/560719823.db2.gz MAIPLVMXBLUCBO-NDENLUEZSA-N 0 0 407.491 4.488 40 10 HICBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Cn2cnnc2)cc1 ZINC000102965018 560732896 /nfs/dbraw/zinc/73/28/96/560732896.db2.gz CHLVLDXWQLKZRE-XLNRJJMWSA-N 0 0 400.486 4.215 40 10 HICBRN CCCOc1c(Br)cc(C=C2SC(=S)NC2=O)cc1OCC ZINC000005708142 560738303 /nfs/dbraw/zinc/73/83/03/560738303.db2.gz VMWIZGHWURGVAN-XYOKQWHBSA-N 0 0 402.335 4.125 40 10 HICBRN COCCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000006348316 560741177 /nfs/dbraw/zinc/74/11/77/560741177.db2.gz BQZKWNHBEJMGHF-PGMHBOJBSA-N 0 0 407.466 4.188 40 10 HICBRN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 ZINC000013566432 560813650 /nfs/dbraw/zinc/81/36/50/560813650.db2.gz XLHGOHJQYMYKPR-UHFFFAOYSA-N 0 0 420.450 4.325 40 10 HICBRN COc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc(OC)c1OC ZINC000218128048 568475383 /nfs/dbraw/zinc/47/53/83/568475383.db2.gz ODXQIVVSKXCHNY-SJORKVTESA-N 0 0 412.530 4.440 40 10 HICBRN Cc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)n1CCc1ccccc1)C(=O)N2 ZINC000057557914 568492791 /nfs/dbraw/zinc/49/27/91/568492791.db2.gz YIGDDUPIQZWXLH-LTGZKZEYSA-N 0 0 407.473 4.440 40 10 HICBRN COc1cc(N2CCCC2)c(OC)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222594047 568519662 /nfs/dbraw/zinc/51/96/62/568519662.db2.gz SVJTWWNXPUSAML-ARBPTSGCSA-N 0 0 424.570 4.288 40 10 HICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000222787110 568526528 /nfs/dbraw/zinc/52/65/28/568526528.db2.gz SBASNBMRZWEECV-VXKWHMMOSA-N 0 0 406.555 4.490 40 10 HICBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000223006921 568534130 /nfs/dbraw/zinc/53/41/30/568534130.db2.gz AQSRAXQZWLPLMD-DHIUTWEWSA-N 0 0 420.582 4.416 40 10 HICBRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C ZINC000223071043 568536386 /nfs/dbraw/zinc/53/63/86/568536386.db2.gz QTBRFYYHIVJMGB-SFHVURJKSA-N 0 0 402.560 4.342 40 10 HICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C)c1C ZINC000223580748 568552284 /nfs/dbraw/zinc/55/22/84/568552284.db2.gz OMYUSXSRAJPDJB-XZOQPEGZSA-N 0 0 420.582 4.071 40 10 HICBRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000224366302 568579295 /nfs/dbraw/zinc/57/92/95/568579295.db2.gz FTANCAXWWZDVRV-SFHVURJKSA-N 0 0 402.560 4.342 40 10 HICBRN Cc1cc(NC(=S)NCCCN2CCc3ccccc32)ccc1Br ZINC000225559649 568651200 /nfs/dbraw/zinc/65/12/00/568651200.db2.gz ZFLZAAHVIXIRIM-UHFFFAOYSA-N 0 0 404.377 4.497 40 10 HICBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000058865638 568699490 /nfs/dbraw/zinc/69/94/90/568699490.db2.gz JMXFEPJLFXXGDX-UHFFFAOYSA-N 0 0 423.421 4.318 40 10 HICBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000058883793 568700905 /nfs/dbraw/zinc/70/09/05/568700905.db2.gz SGZBDGVNHSGYMV-QNGOZBTKSA-N 0 0 407.466 4.361 40 10 HICBRN COc1ccc(N2CCC([N@H+](CC(=O)[O-])Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000257229988 568784847 /nfs/dbraw/zinc/78/48/47/568784847.db2.gz GAFUVQSZWUKSNY-UHFFFAOYSA-N 0 0 406.885 4.043 40 10 HICBRN COc1ccc([C@@]2(c3ccc(O)cc3O)C[C@H](c3cccs3)NC(=S)N2)cc1 ZINC000001080846 568930521 /nfs/dbraw/zinc/93/05/21/568930521.db2.gz MKNRKGQMAKJDIF-DYESRHJHSA-N 0 0 412.536 4.021 40 10 HICBRN COc1ccc(N2C(=O)/C(=C/c3cnc4ccccc4n3)SC2=S)c(OC)c1 ZINC000054361196 569072449 /nfs/dbraw/zinc/07/24/49/569072449.db2.gz DRTJSZGFYORWCC-NVMNQCDNSA-N 0 0 409.492 4.053 40 10 HICBRN COc1cc(C)c(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1C(C)C ZINC000006961431 569336159 /nfs/dbraw/zinc/33/61/59/569336159.db2.gz DMTIWOJKKCMILL-IBGZPJMESA-N 0 0 400.569 4.494 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000006307874 569359924 /nfs/dbraw/zinc/35/99/24/569359924.db2.gz FLACDDRWBOMRJG-PDGQHHTCSA-N 0 0 411.841 4.004 40 10 HICBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)SC1=S ZINC000006594305 569360018 /nfs/dbraw/zinc/36/00/18/569360018.db2.gz SELPXPQGHWBNRG-BOPFTXTBSA-N 0 0 400.481 4.395 40 10 HICBRN CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000008871602 571130492 /nfs/dbraw/zinc/13/04/92/571130492.db2.gz RESJHFNWGBQHHI-NXVVXOECSA-N 0 0 414.895 4.009 40 10 HICBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(C)=C2C(=O)OC)cc1OC ZINC000408587730 557491130 /nfs/dbraw/zinc/49/11/30/557491130.db2.gz UDPKMICIELVMLO-UYRXBGFRSA-N 0 0 407.466 4.280 40 10 HICBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000408588256 557492147 /nfs/dbraw/zinc/49/21/47/557492147.db2.gz VILXXWXENCHMDU-UVTDQMKNSA-N 0 0 416.792 4.265 40 10 HICBRN Cc1cccc2c(=O)c(C=C3C(=O)N(c4ccccc4)N=C3c3ccccc3)c(O)[nH]c12 ZINC000003850465 557501081 /nfs/dbraw/zinc/50/10/81/557501081.db2.gz IDEVJRSSKVRWAZ-HKWRFOASSA-N 0 0 421.456 4.377 40 10 HICBRN CCN1C(=O)C(=Cc2ccc(Sc3ccc(C)cc3)o2)C(=O)N(CC)C1=S ZINC000004723838 557586831 /nfs/dbraw/zinc/58/68/31/557586831.db2.gz JTXIXFFNVQFZTM-UHFFFAOYSA-N 0 0 400.525 4.118 40 10 HICBRN CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc32)cc1 ZINC000004809429 557599748 /nfs/dbraw/zinc/59/97/48/557599748.db2.gz AKDHPSNXWWAJMI-UHFFFAOYSA-N 0 0 408.439 4.411 40 10 HICBRN CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000005376042 557649013 /nfs/dbraw/zinc/64/90/13/557649013.db2.gz CQYJIDXDMOEUKY-LGMDPLHJSA-N 0 0 423.556 4.029 40 10 HICBRN COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4C[C@@H](C)O[C@H](C)C4)c32)cc1 ZINC000028287212 558694413 /nfs/dbraw/zinc/69/44/13/558694413.db2.gz AOIDULLWDOJGPD-HUUCEWRRSA-N 0 0 424.497 4.317 40 10 HICBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1CCc1ccccc1 ZINC000060017549 558940358 /nfs/dbraw/zinc/94/03/58/558940358.db2.gz QJQSXPSOIVFYEW-UHFFFAOYSA-N 0 0 400.522 4.238 40 10 HICBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccccc1I ZINC000100922853 559141750 /nfs/dbraw/zinc/14/17/50/559141750.db2.gz AMBYDUPTEKNWOZ-PTNGSMBKSA-N 0 0 417.250 4.318 40 10 HICBRN Cc1cc(C)c2c(c1)N[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@@H]1CC=C[C@H]21 ZINC000005015083 560623583 /nfs/dbraw/zinc/62/35/83/560623583.db2.gz MIPKXBZJDFESHA-YZUZCNPQSA-N 0 0 424.566 4.151 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000408894969 560650641 /nfs/dbraw/zinc/65/06/41/560650641.db2.gz SNHOBLPLFOCJNT-BOPFTXTBSA-N 0 0 416.246 4.465 40 10 HICBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000408895635 560650705 /nfs/dbraw/zinc/65/07/05/560650705.db2.gz UUAKQJIJEPFDEK-CTFRJJSNSA-N 0 0 407.466 4.138 40 10 HICBRN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000408903412 560652383 /nfs/dbraw/zinc/65/23/83/560652383.db2.gz XISQZRKWYFYYGF-DEDYPNTBSA-N 0 0 417.490 4.434 40 10 HICBRN CCOc1cc(OCC)c(/C=C2\SC(=S)N(CC)C2=O)cc1Br ZINC000409004481 560664187 /nfs/dbraw/zinc/66/41/87/560664187.db2.gz BFWNTVWKBLMUOE-ZSOIEALJSA-N 0 0 416.362 4.468 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000409017411 560665905 /nfs/dbraw/zinc/66/59/05/560665905.db2.gz ZNOGFXZOIDGCSF-BOPFTXTBSA-N 0 0 413.857 4.234 40 10 HICBRN COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2c(OC)cccc12 ZINC000409077320 560673047 /nfs/dbraw/zinc/67/30/47/560673047.db2.gz DPHZMVHZVFPHAH-DZBQEORWSA-N 0 0 415.536 4.237 40 10 HICBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409239516 560699756 /nfs/dbraw/zinc/69/97/56/560699756.db2.gz NNAYEIJZTYIORS-HZHRSRAPSA-N 0 0 414.509 4.253 40 10 HICBRN CCN1C(=O)/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)SC1=S ZINC000409376709 560717843 /nfs/dbraw/zinc/71/78/43/560717843.db2.gz AEZIPQCMYKSVGE-BOPFTXTBSA-N 0 0 400.481 4.395 40 10 HICBRN CCOc1c(Br)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC ZINC000006338056 560741951 /nfs/dbraw/zinc/74/19/51/560741951.db2.gz PVXHGQPEWWSIHC-WQLSENKSSA-N 0 0 402.335 4.078 40 10 HICBRN CC(NCCCOC(C)C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112289622 560778184 /nfs/dbraw/zinc/77/81/84/560778184.db2.gz BAGOWNOGCTYNIB-FXBPSFAMSA-N 0 0 422.485 4.024 40 10 HICBRN CCN1c2ccc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)cc2[C@@H](C)CC1(C)C ZINC000260565098 560795055 /nfs/dbraw/zinc/79/50/55/560795055.db2.gz GSSFCDSRCHEDAN-NRWOIDKPSA-N 0 0 416.543 4.397 40 10 HICBRN 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ZINC000223008522 568534148 /nfs/dbraw/zinc/53/41/48/568534148.db2.gz HDWMTENOLAKMDU-FGZHOGPDSA-N 0 0 424.545 4.247 40 10 HICBRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000223012741 568534390 /nfs/dbraw/zinc/53/43/90/568534390.db2.gz XPGZKUUZTWAJAM-OAQYLSRUSA-N 0 0 402.922 4.163 40 10 HICBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)n1-c1ccccc1 ZINC000223327441 568545398 /nfs/dbraw/zinc/54/53/98/568545398.db2.gz SNEKVENXPLWYHG-WWPVKYPJSA-N 0 0 418.566 4.332 40 10 HICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1c(C)cccc1C ZINC000223581325 568552301 /nfs/dbraw/zinc/55/23/01/568552301.db2.gz MJQLONHDMVGDKA-GMAHTHKFSA-N 0 0 420.582 4.071 40 10 HICBRN CC1CCN(c2ccc(NC(=S)NCc3ccc(N4CCCC4)cc3)cn2)CC1 ZINC000223952357 568564302 /nfs/dbraw/zinc/56/43/02/568564302.db2.gz BKZVMRZKFNWPTO-UHFFFAOYSA-N 0 0 409.603 4.405 40 10 HICBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(Br)c(C)c2)cc1 ZINC000225798046 568675438 /nfs/dbraw/zinc/67/54/38/568675438.db2.gz 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COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(OC)c1 ZINC000005247915 569359697 /nfs/dbraw/zinc/35/96/97/569359697.db2.gz DTJQQUUCPIKVHW-IZZDOVSWSA-N 0 0 412.314 4.205 40 10 HICBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1=O ZINC000208198264 569361500 /nfs/dbraw/zinc/36/15/00/569361500.db2.gz QJPXLUGTZMHAPO-ZMRQWQKBSA-N 0 0 402.516 4.006 40 10 HICBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(Cl)cc4)S3)CC2)cc1 ZINC000013547024 536692322 /nfs/dbraw/zinc/69/23/22/536692322.db2.gz NESHIGVRUQQDBD-RGEXLXHISA-N 0 0 413.930 4.141 40 10 HICBRN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000408526545 557288072 /nfs/dbraw/zinc/28/80/72/557288072.db2.gz BLGJDTSUVFPIIR-LGMDPLHJSA-N 0 0 418.501 4.142 40 10 HICBRN O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408532035 557309708 /nfs/dbraw/zinc/30/97/08/557309708.db2.gz SBGVKDLQGPLNSN-NVNXTCNLSA-N 0 0 406.872 4.316 40 10 HICBRN CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000003066923 557444633 /nfs/dbraw/zinc/44/46/33/557444633.db2.gz FIMVPRSMOCKMCO-JXAWBTAJSA-N 0 0 412.536 4.315 40 10 HICBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000408588487 557492909 /nfs/dbraw/zinc/49/29/09/557492909.db2.gz WNCGZWQHAKEQFG-BOPFTXTBSA-N 0 0 412.829 4.434 40 10 HICBRN Cc1cc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)no1 ZINC000004745335 557591898 /nfs/dbraw/zinc/59/18/98/557591898.db2.gz CAFNHAOGUHQGNO-SSZFMOIBSA-N 0 0 415.540 4.383 40 10 HICBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c(-n2c(C)ccc2C)c1 ZINC000408707821 557734072 /nfs/dbraw/zinc/73/40/72/557734072.db2.gz MBRXGTVBAQDOLF-QGZVFWFLSA-N 0 0 421.472 4.233 40 10 HICBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c(-n2c(C)ccc2C)c1 ZINC000408707281 557734799 /nfs/dbraw/zinc/73/47/99/557734799.db2.gz IWAUFNMALBMHJV-LJQANCHMSA-N 0 0 417.509 4.403 40 10 HICBRN CCCCN1C(=O)/C(=C/c2cc(OC)c(O)cc2Br)SC1=S ZINC000036613168 558726661 /nfs/dbraw/zinc/72/66/61/558726661.db2.gz CLQBZOUAZFXBQP-QPEQYQDCSA-N 0 0 402.335 4.165 40 10 HICBRN O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000054285052 558867331 /nfs/dbraw/zinc/86/73/31/558867331.db2.gz AOBFYIJEMWVXFH-UHFFFAOYSA-N 0 0 400.522 4.362 40 10 HICBRN COc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 ZINC000001218340 560571739 /nfs/dbraw/zinc/57/17/39/560571739.db2.gz LRXZDXXIJDRIBV-VBKFSLOCSA-N 0 0 418.565 4.377 40 10 HICBRN COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408763148 560629428 /nfs/dbraw/zinc/62/94/28/560629428.db2.gz NQKFJNZXTXTUDG-PXLXIMEGSA-N 0 0 400.434 4.244 40 10 HICBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000408895065 560650634 /nfs/dbraw/zinc/65/06/34/560650634.db2.gz SYAACUOGRPJPOR-YVLHZVERSA-N 0 0 414.255 4.032 40 10 HICBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408892811 560650948 /nfs/dbraw/zinc/65/09/48/560650948.db2.gz JRQDCDNFWXJJHN-STZFKDTASA-N 0 0 415.445 4.431 40 10 HICBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000409016504 560666557 /nfs/dbraw/zinc/66/65/57/560666557.db2.gz UPTNAGARTLJQEL-UYRXBGFRSA-N 0 0 407.466 4.198 40 10 HICBRN CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409020546 560666716 /nfs/dbraw/zinc/66/67/16/560666716.db2.gz QJVKTJHQFNOONR-SFQUDFHCSA-N 0 0 414.914 4.221 40 10 HICBRN CC(=O)Oc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1 ZINC000409038108 560668590 /nfs/dbraw/zinc/66/85/90/560668590.db2.gz OMSAMVOUIGRYDZ-GHXNOFRVSA-N 0 0 410.298 4.114 40 10 HICBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000409064380 560672096 /nfs/dbraw/zinc/67/20/96/560672096.db2.gz CFFKWJJWWRIFPA-WJDWOHSUSA-N 0 0 413.857 4.234 40 10 HICBRN COCCN1C(=O)[C@H](Cc2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000409140621 560683379 /nfs/dbraw/zinc/68/33/79/560683379.db2.gz KTTUIGXYEHPUJH-SFHVURJKSA-N 0 0 421.971 4.337 40 10 HICBRN O=C(NN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S)c1ccccc1 ZINC000409178307 560687605 /nfs/dbraw/zinc/68/76/05/560687605.db2.gz KOEMNDSUVJWXAV-UVTDQMKNSA-N 0 0 408.426 4.252 40 10 HICBRN CCCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)SC1=S ZINC000409329137 560709959 /nfs/dbraw/zinc/70/99/59/560709959.db2.gz CYNZDOSVCCRECI-AQTBWJFISA-N 0 0 412.536 4.315 40 10 HICBRN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)SC1=S ZINC000409344379 560712162 /nfs/dbraw/zinc/71/21/62/560712162.db2.gz IXZFMVRLLVCSQZ-LCYFTJDESA-N 0 0 416.362 4.468 40 10 HICBRN CCCN1C(=O)/C(=C\c2cc(OCC)c(O)cc2Br)SC1=S ZINC000409348531 560713248 /nfs/dbraw/zinc/71/32/48/560713248.db2.gz OFAWWLVYRVSKCX-NTUHNPAUSA-N 0 0 402.335 4.165 40 10 HICBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)SC1=S ZINC000409349581 560713437 /nfs/dbraw/zinc/71/34/37/560713437.db2.gz VKYBKXYMZMDLJD-PDGQHHTCSA-N 0 0 412.536 4.234 40 10 HICBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC(F)F ZINC000409362746 560715053 /nfs/dbraw/zinc/71/50/53/560715053.db2.gz SOYOZCOYZZLJFX-DHDCSXOGSA-N 0 0 410.467 4.252 40 10 HICBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCOc1ccccc1OC ZINC000103918626 560734789 /nfs/dbraw/zinc/73/47/89/560734789.db2.gz UCNWPLOZUCEHFW-QJOMJCCJSA-N 0 0 423.513 4.149 40 10 HICBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1cccc(OC)c1 ZINC000103917548 560734836 /nfs/dbraw/zinc/73/48/36/560734836.db2.gz TTWFGINLBLFIQY-QNGOZBTKSA-N 0 0 408.458 4.170 40 10 HICBRN Cc1ccc(NC2=N[C@H](c3c(O)ccc4ccccc43)n3c(=O)cc(C)nc3N2)cc1 ZINC000007499352 560751383 /nfs/dbraw/zinc/75/13/83/560751383.db2.gz BQUFPDSUZTYDDC-QFIPXVFZSA-N 0 0 411.465 4.159 40 10 HICBRN CCN1c2ccc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)cc2[C@H](C)CC1(C)C ZINC000260565091 560795108 /nfs/dbraw/zinc/79/51/08/560795108.db2.gz GSSFCDSRCHEDAN-GXZKMCQRSA-N 0 0 416.543 4.397 40 10 HICBRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000017089872 560864797 /nfs/dbraw/zinc/86/47/97/560864797.db2.gz CRSBDWJTVKYIJD-UHFFFAOYSA-N 0 0 414.486 4.206 40 10 HICBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C1=O ZINC000208199101 568443645 /nfs/dbraw/zinc/44/36/45/568443645.db2.gz 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