smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000408534392 557320999 /nfs/dbraw/zinc/32/09/99/557320999.db2.gz VKWRYYMNUIQLFF-YBEGLDIGSA-N 0 1 415.247 4.384 40 10 HICBMN Cc1[nH]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000408534392 557321004 /nfs/dbraw/zinc/32/10/04/557321004.db2.gz VKWRYYMNUIQLFF-YBEGLDIGSA-N 0 1 415.247 4.384 40 10 HICBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1 ZINC000002310111 557336131 /nfs/dbraw/zinc/33/61/31/557336131.db2.gz NZUZATUYJGLCBX-XSFVSMFZSA-N 0 1 404.853 4.380 40 10 HICBMN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000408723139 557772640 /nfs/dbraw/zinc/77/26/40/557772640.db2.gz QPQGLBJEAZBUHH-LDADJPATSA-N 0 1 422.893 4.333 40 10 HICBMN O=C(NN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S)c1cccs1 ZINC000015008430 558699522 /nfs/dbraw/zinc/69/95/22/558699522.db2.gz QCCXPPIKZICZKQ-XYOKQWHBSA-N 0 1 414.455 4.313 40 10 HICBMN COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409231612 560700410 /nfs/dbraw/zinc/70/04/10/560700410.db2.gz DCPHDUWOOLUTMS-GOZVUGRMSA-N 0 1 412.898 4.045 40 10 HICBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409243502 560702725 /nfs/dbraw/zinc/70/27/25/560702725.db2.gz XCIKFPHDVLKGHF-YHZJOHHESA-N 0 1 424.522 4.012 40 10 HICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000409243958 560702814 /nfs/dbraw/zinc/70/28/14/560702814.db2.gz ZQVGVSRMONSTPY-OVCLIPMQSA-N 0 1 415.396 4.018 40 10 HICBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C)cc1 ZINC000006233828 569359882 /nfs/dbraw/zinc/35/98/82/569359882.db2.gz RGMXUPQJTQDLMG-RCCKNPSSSA-N 0 1 414.461 4.044 40 10 HICBMN CCc1cccc(C)c1NC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000408550018 557398779 /nfs/dbraw/zinc/39/87/79/557398779.db2.gz CPCYBPWMSZFLAM-UVTDQMKNSA-N 0 1 417.893 4.094 40 10 HICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000408695120 557709947 /nfs/dbraw/zinc/70/99/47/557709947.db2.gz PZHQEVIEMYKWNH-QGOAFFKASA-N 0 1 424.884 4.323 40 10 HICBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1 ZINC000409124253 560680723 /nfs/dbraw/zinc/68/07/23/560680723.db2.gz ATRXIJDKMWQYJZ-XSFVSMFZSA-N 0 1 415.518 4.234 40 10 HICBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409237603 560699374 /nfs/dbraw/zinc/69/93/74/560699374.db2.gz AHEBLYHBFKWBHC-XDHOZWIPSA-N 0 1 403.507 4.133 40 10 HICBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000409232027 560700426 /nfs/dbraw/zinc/70/04/26/560700426.db2.gz GQSOWCVUGBSQBL-CXDFQFJYSA-N 0 1 408.523 4.312 40 10 HICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 ZINC000409241444 560702331 /nfs/dbraw/zinc/70/23/31/560702331.db2.gz NHXCFAMILHKHOL-QGOAFFKASA-N 0 1 411.527 4.081 40 10 HICBMN CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409341284 560711438 /nfs/dbraw/zinc/71/14/38/560711438.db2.gz ATKFUNBRMXUCJC-NTEUORMPSA-N 0 1 424.956 4.346 40 10 HICBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000059135986 568701261 /nfs/dbraw/zinc/70/12/61/568701261.db2.gz UUIMDUHYDZYLBJ-JXMROGBWSA-N 0 1 405.794 4.059 40 10 HICBMN N#[N+]C=C([O-])[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309796782 569011926 /nfs/dbraw/zinc/01/19/26/569011926.db2.gz IYDQDADXJDTFLP-HSZRJFAPSA-N 0 1 411.461 4.006 40 10 HICBMN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000107872462 569361165 /nfs/dbraw/zinc/36/11/65/569361165.db2.gz RSEBMOKVZNGOSI-ODLFYWEKSA-N 0 1 416.506 4.106 40 10 HICBMN CC(C)(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000108226748 569361212 /nfs/dbraw/zinc/36/12/12/569361212.db2.gz AFMCPMXFCWNBDH-PTNGSMBKSA-N 0 1 415.287 4.088 40 10 HICBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000408723635 557773207 /nfs/dbraw/zinc/77/32/07/557773207.db2.gz YORLWDHWXQYMOM-WUXMJOGZSA-N 0 1 411.697 4.478 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1C(C)C ZINC000409091331 560675371 /nfs/dbraw/zinc/67/53/71/560675371.db2.gz SRCWHMVBPNGVOB-MHWRWJLKSA-N 0 1 415.946 4.479 40 10 HICBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2)C(=O)NC1=S ZINC000409108744 560678879 /nfs/dbraw/zinc/67/88/79/560678879.db2.gz XWFZEFQAHFUKMV-GHRIWEEISA-N 0 1 421.909 4.270 40 10 HICBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1C ZINC000409245630 560701434 /nfs/dbraw/zinc/70/14/34/560701434.db2.gz WSZZDCCAQMBARJ-XSFVSMFZSA-N 0 1 415.518 4.234 40 10 HICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000409248606 560701833 /nfs/dbraw/zinc/70/18/33/560701833.db2.gz LNANZCUTGUKIBN-LDADJPATSA-N 0 1 424.522 4.049 40 10 HICBMN COc1ccc(Br)cc1C=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000033393770 568697290 /nfs/dbraw/zinc/69/72/90/568697290.db2.gz UAPHFKWQTOTSJC-UVTDQMKNSA-N 0 1 417.284 4.129 40 10 HICBMN Cc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Cl ZINC000109283037 569353795 /nfs/dbraw/zinc/35/37/95/569353795.db2.gz CHLYVRSALYTHMI-WQLSENKSSA-N 0 1 424.284 4.185 40 10 HICBMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000000831632 557095553 /nfs/dbraw/zinc/09/55/53/557095553.db2.gz WEONNHVRHWAJBM-BKUYFWCQSA-N 0 1 404.853 4.380 40 10 HICBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(=O)NC2=S)c1 ZINC000409010425 560665380 /nfs/dbraw/zinc/66/53/80/560665380.db2.gz KLJUDMZYQJDMTI-QGOAFFKASA-N 0 1 419.481 4.065 40 10 HICBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)c1C ZINC000409133267 560681994 /nfs/dbraw/zinc/68/19/94/560681994.db2.gz NJHZVPIJBICBJZ-QGOAFFKASA-N 0 1 402.475 4.395 40 10 HICBMN CC(C)COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc12 ZINC000409194526 560690057 /nfs/dbraw/zinc/69/00/57/560690057.db2.gz MUZRCCCWHNMJRQ-MOSHPQCFSA-N 0 1 406.482 4.279 40 10 HICBMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000409228924 560698396 /nfs/dbraw/zinc/69/83/96/560698396.db2.gz HFZQYIINAUVWEK-QNGOZBTKSA-N 0 1 421.566 4.488 40 10 HICBMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409238873 560699681 /nfs/dbraw/zinc/69/96/81/560699681.db2.gz OCVLVRHXLSZQDL-UYRXBGFRSA-N 0 1 416.502 4.297 40 10 HICBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000409249716 560702096 /nfs/dbraw/zinc/70/20/96/560702096.db2.gz OAXLFEKETPKHDN-OQLLNIDSSA-N 0 1 400.887 4.000 40 10 HICBMN CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409250847 560702194 /nfs/dbraw/zinc/70/21/94/560702194.db2.gz YKJCMYVULDKUIJ-WJDWOHSUSA-N 0 1 414.914 4.187 40 10 HICBMN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409243743 560702900 /nfs/dbraw/zinc/70/29/00/560702900.db2.gz XYLDCKDMVTXANO-HZGBGQKMSA-N 0 1 408.523 4.312 40 10 HICBMN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc([N+](=O)[O-])c1O ZINC000409342236 560711646 /nfs/dbraw/zinc/71/16/46/560711646.db2.gz CWUXASCWEUDKOD-SXGWCWSVSA-N 0 1 416.480 4.332 40 10 HICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409404425 560721957 /nfs/dbraw/zinc/72/19/57/560721957.db2.gz CSJMEQWFMSLZCI-STZFKDTASA-N 0 1 414.461 4.044 40 10 HICBMN CN1CCN(c2ccc(CNC(=O)CC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000219135038 568487076 /nfs/dbraw/zinc/48/70/76/568487076.db2.gz BRORJMALJOZPBH-UHFFFAOYSA-N 0 1 413.565 4.277 40 10 HICBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000059135772 568701224 /nfs/dbraw/zinc/70/12/24/568701224.db2.gz HTJTWCZETUTESY-DHZHZOJOSA-N 0 1 405.794 4.059 40 10 HICBMN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C ZINC000034765931 569360609 /nfs/dbraw/zinc/36/06/09/569360609.db2.gz SNGBLOVVLQMVIK-UNOMPAQXSA-N 0 1 421.884 4.218 40 10 HICBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C)c1 ZINC000034761740 569360676 /nfs/dbraw/zinc/36/06/76/569360676.db2.gz UAKOLSXYFYMFHF-QNGOZBTKSA-N 0 1 414.461 4.044 40 10 HICBMN O=C1NC(=S)SC1=Cc1ccc(-c2ccc3c(c2)C(=O)C2=CCC=C[C@H]2C3=O)o1 ZINC000111068451 569387802 /nfs/dbraw/zinc/38/78/02/569387802.db2.gz XDUMZTKWYCOVLG-BCZDJZIOSA-N 0 1 419.483 4.173 40 10 HICBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Sc2ccccc2)o1 ZINC000001105890 132237178 /nfs/dbraw/zinc/23/71/78/132237178.db2.gz JORZVONPZWRUIE-QINSGFPZSA-N 0 1 424.478 4.401 40 10 HICBMN CCCCCCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408539001 557359534 /nfs/dbraw/zinc/35/95/34/557359534.db2.gz DGWDOJLOTKGNRX-SILNSSARSA-N 0 1 408.523 4.477 40 10 HICBMN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000087722318 558868172 /nfs/dbraw/zinc/86/81/72/558868172.db2.gz JTLYFVDJLPOASK-DHDCSXOGSA-N 0 1 402.453 4.023 40 10 HICBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C(=O)NC2=S)c1 ZINC000409239010 560699665 /nfs/dbraw/zinc/69/96/65/560699665.db2.gz YJUCHRCVUITKRT-CPNJWEJPSA-N 0 1 419.481 4.065 40 10 HICBMN CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000409352612 560714114 /nfs/dbraw/zinc/71/41/14/560714114.db2.gz XSIVRZXOWLFSCF-GDNBJRDFSA-N 0 1 404.538 4.082 40 10 HICBMN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)o1 ZINC000033417716 568697095 /nfs/dbraw/zinc/69/70/95/568697095.db2.gz IVRXEWDAANQIAM-LICLKQGHSA-N 0 1 421.365 4.259 40 10 HICBMN COc1ccc(N2CCC([N@@H+](CCC(=O)[O-])Cc3cccc(Cl)c3)CC2)cc1 ZINC000257210464 568779226 /nfs/dbraw/zinc/77/92/26/568779226.db2.gz BUSKBNOGQDQWRT-UHFFFAOYSA-N 0 1 402.922 4.294 40 10 HICBMN O=C1NC(=S)SC1=Cc1ccc(-c2ccc3c(c2)C(=O)C2=CCC=C[C@@H]2C3=O)o1 ZINC000101652914 569015325 /nfs/dbraw/zinc/01/53/25/569015325.db2.gz XDUMZTKWYCOVLG-AHMGIAEWSA-N 0 1 419.483 4.173 40 10 HICBMN COc1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)c(Cl)c3)c2=O)c([N+](=O)[O-])c1 ZINC000408533437 557316895 /nfs/dbraw/zinc/31/68/95/557316895.db2.gz SFKMXGWWHBVKMR-GDNBJRDFSA-N 0 1 400.822 4.284 40 10 HICBMN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000038323576 558646325 /nfs/dbraw/zinc/64/63/25/558646325.db2.gz OFBOJPJOIMDFCF-DHDCSXOGSA-N 0 1 402.453 4.023 40 10 HICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Cl ZINC000408772503 560639244 /nfs/dbraw/zinc/63/92/44/560639244.db2.gz MDUBZBFSEPRBAC-MHWRWJLKSA-N 0 1 414.914 4.187 40 10 HICBMN Cc1ccc2ccccc2c1COc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O ZINC000408802373 560642832 /nfs/dbraw/zinc/64/28/32/560642832.db2.gz DOVOZMVLMOJDOD-UHFFFAOYSA-N 0 1 420.852 4.130 40 10 HICBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1Cl ZINC000408853690 560647647 /nfs/dbraw/zinc/64/76/47/560647647.db2.gz QPNWKQHLMCKSNK-CSKARUKUSA-N 0 1 411.697 4.478 40 10 HICBMN CC(C)n1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000408919136 560654569 /nfs/dbraw/zinc/65/45/69/560654569.db2.gz TXZIEKPPLYJOFT-WQRHYEAKSA-N 0 1 407.470 4.193 40 10 HICBMN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409136522 560682459 /nfs/dbraw/zinc/68/24/59/560682459.db2.gz XCEQLCFDXDXLNL-COYFKBPASA-N 0 1 408.523 4.312 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(=O)NC2=S)c(C)c1 ZINC000409140789 560683373 /nfs/dbraw/zinc/68/33/73/560683373.db2.gz FTNSWSFMKXEOJX-GHRIWEEISA-N 0 1 419.481 4.065 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)cc3)C(=O)NC2=S)cc1Cl ZINC000409244809 560701241 /nfs/dbraw/zinc/70/12/41/560701241.db2.gz JBKZBVSAUIEAEJ-LICLKQGHSA-N 0 1 414.914 4.267 40 10 HICBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409243503 560702733 /nfs/dbraw/zinc/70/27/33/560702733.db2.gz XCIKFPHDVLKGHF-YSKWHIJTSA-N 0 1 424.522 4.012 40 10 HICBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000409243480 560702761 /nfs/dbraw/zinc/70/27/61/560702761.db2.gz WRIWZJZESVTGLF-NTCAYCPXSA-N 0 1 408.866 4.431 40 10 HICBMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000113834506 560805215 /nfs/dbraw/zinc/80/52/15/560805215.db2.gz KHPACFQKWPOBKN-KGENOOAVSA-N 0 1 414.461 4.044 40 10 HICBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000033396248 568697310 /nfs/dbraw/zinc/69/73/10/568697310.db2.gz GSPAWCCIFHMJIV-LCYFTJDESA-N 0 1 417.284 4.129 40 10 HICBMN O=C(Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)c1ccccc1 ZINC000033655075 569360323 /nfs/dbraw/zinc/36/03/23/569360323.db2.gz FEEXUBVPGGXESP-RGEXLXHISA-N 0 1 418.836 4.021 40 10 HICBMN CC(C)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408553387 557442991 /nfs/dbraw/zinc/44/29/91/557442991.db2.gz YMARIPUPRSNMNZ-GDNBJRDFSA-N 0 1 417.893 4.346 40 10 HICBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C(=O)NC2=S)c1 ZINC000408743326 557806758 /nfs/dbraw/zinc/80/67/58/557806758.db2.gz ZXXPBFYYOMQAOO-OVCLIPMQSA-N 0 1 421.305 4.223 40 10 HICBMN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)c1ccc3c(c1O)C(=O)c1ccccc1C3=O)C2 ZINC000004027907 560597299 /nfs/dbraw/zinc/59/72/99/560597299.db2.gz YEDGCJIQWJJFAW-SXBQZSJRSA-N 0 1 403.478 4.208 40 10 HICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Cl ZINC000408769626 560638927 /nfs/dbraw/zinc/63/89/27/560638927.db2.gz XQIZLUGVSKIDMB-XNTDXEJSSA-N 0 1 414.914 4.187 40 10 HICBMN CCn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 ZINC000409103667 560675499 /nfs/dbraw/zinc/67/54/99/560675499.db2.gz AZUYBGJWZZKCOO-LFIBNONCSA-N 0 1 423.925 4.454 40 10 HICBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409251070 560703355 /nfs/dbraw/zinc/70/33/55/560703355.db2.gz SWBSKXHCOJGQCU-RCCKNPSSSA-N 0 1 415.518 4.432 40 10 HICBMN CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409329318 560709980 /nfs/dbraw/zinc/70/99/80/560709980.db2.gz DPYVFBYDHKAOQP-JASJWYONSA-N 0 1 418.565 4.472 40 10 HICBMN C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21 ZINC000208194613 568443571 /nfs/dbraw/zinc/44/35/71/568443571.db2.gz KJKZJHYPLNVUEE-SJPXOZHESA-N 0 1 419.550 4.240 40 10 HICBMN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000219355923 568490467 /nfs/dbraw/zinc/49/04/67/568490467.db2.gz KNCCXHISKCQSPV-VWLOTQADSA-N 0 1 417.553 4.065 40 10 HICBMN CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000408604134 557524995 /nfs/dbraw/zinc/52/49/95/557524995.db2.gz SVIABRGJBONLFA-RVDMUPIBSA-N 0 1 404.538 4.083 40 10 HICBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)c1 ZINC000409010782 560665437 /nfs/dbraw/zinc/66/54/37/560665437.db2.gz LGUNLRGOJREFEB-CPNJWEJPSA-N 0 1 402.475 4.395 40 10 HICBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)NC2=S)c1C ZINC000409137002 560682536 /nfs/dbraw/zinc/68/25/36/560682536.db2.gz SUMWHFLGQVYXCP-NBVRZTHBSA-N 0 1 423.538 4.108 40 10 HICBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1 ZINC000409142119 560683597 /nfs/dbraw/zinc/68/35/97/560683597.db2.gz LHAVZGOSAPSRKU-XSFVSMFZSA-N 0 1 415.518 4.234 40 10 HICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1OC ZINC000409248313 560701808 /nfs/dbraw/zinc/70/18/08/560701808.db2.gz PMKFKYABKCGCPZ-LDADJPATSA-N 0 1 424.522 4.049 40 10 HICBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1O ZINC000059136286 568701290 /nfs/dbraw/zinc/70/12/90/568701290.db2.gz PQYWQHZMKPFQSU-YRNVUSSQSA-N 0 1 420.849 4.255 40 10 HICBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000231575970 569361706 /nfs/dbraw/zinc/36/17/06/569361706.db2.gz DAPZGFURPPRYQX-KPKJPENVSA-N 0 1 411.697 4.478 40 10 HICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000408695677 557710151 /nfs/dbraw/zinc/71/01/51/557710151.db2.gz XJFVJJLAMJXCQD-CPNJWEJPSA-N 0 1 424.884 4.323 40 10 HICBMN Cc1ccnc(NS(=O)(=O)c2ccc(NN=C3C=CC(=O)c4ncccc43)cc2)n1 ZINC000018164565 558832449 /nfs/dbraw/zinc/83/24/49/558832449.db2.gz PIODDWPPYJEJGP-OCOZRVBESA-N 0 1 420.454 4.255 40 10 HICBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000409108087 560678773 /nfs/dbraw/zinc/67/87/73/560678773.db2.gz RSBYPQCPDAIPKM-OQLLNIDSSA-N 0 1 421.305 4.223 40 10 HICBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000409131053 560681841 /nfs/dbraw/zinc/68/18/41/560681841.db2.gz JMOCLZKUKMZUGI-XSFVSMFZSA-N 0 1 415.518 4.234 40 10 HICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000409197226 560690630 /nfs/dbraw/zinc/69/06/30/560690630.db2.gz ZFFCLTWPXUJXKW-STZFKDTASA-N 0 1 413.477 4.094 40 10 HICBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1 ZINC000409236582 560699137 /nfs/dbraw/zinc/69/91/37/560699137.db2.gz SCKBQLAAYMONAD-XSFVSMFZSA-N 0 1 415.518 4.234 40 10 HICBMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1C(C)C ZINC000409237448 560699389 /nfs/dbraw/zinc/69/93/89/560699389.db2.gz ITLUFTXVBSAKIE-LDADJPATSA-N 0 1 408.523 4.267 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)cc1Cl ZINC000409239259 560699701 /nfs/dbraw/zinc/69/97/01/560699701.db2.gz CTQSMGNERGFWHG-LDADJPATSA-N 0 1 421.909 4.270 40 10 HICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc12 ZINC000409249769 560702125 /nfs/dbraw/zinc/70/21/25/560702125.db2.gz OODZHOUZTSYEGS-FOWTUZBSSA-N 0 1 422.893 4.333 40 10 HICBMN CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000409340489 560711247 /nfs/dbraw/zinc/71/12/47/560711247.db2.gz XZLJEGSLELDRRT-VBKFSLOCSA-N 0 1 418.565 4.473 40 10 HICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000409400440 560720846 /nfs/dbraw/zinc/72/08/46/560720846.db2.gz QXFSIJOIQVULHH-RGEXLXHISA-N 0 1 404.853 4.380 40 10 HICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1 ZINC000409400533 560720872 /nfs/dbraw/zinc/72/08/72/560720872.db2.gz STZQLQDKGBLTIY-ZHZULCJRSA-N 0 1 404.853 4.380 40 10 HICBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O ZINC000005947697 560739184 /nfs/dbraw/zinc/73/91/84/560739184.db2.gz HUHKMMPHMYAJSW-MHWRWJLKSA-N 0 1 416.275 4.179 40 10 HICBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(CC)cc2)C1=O ZINC000409100153 560676892 /nfs/dbraw/zinc/67/68/92/560676892.db2.gz QDVXMHWJLABZJR-SFQUDFHCSA-N 0 1 414.914 4.132 40 10 HICBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3C)C(=O)NC2=S)c1C ZINC000409133737 560682059 /nfs/dbraw/zinc/68/20/59/560682059.db2.gz RCZFISUSHOPJOJ-XMHGGMMESA-N 0 1 415.518 4.234 40 10 HICBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(=O)NC2=S)c1C ZINC000409141036 560683400 /nfs/dbraw/zinc/68/34/00/560683400.db2.gz TULHHUSLVQLIDL-GHRIWEEISA-N 0 1 419.481 4.065 40 10 HICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409198543 560690882 /nfs/dbraw/zinc/69/08/82/560690882.db2.gz BXHOQCQUPNFKSO-BKUYFWCQSA-N 0 1 405.498 4.115 40 10 HICBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)NC2=S)c1 ZINC000409241676 560702461 /nfs/dbraw/zinc/70/24/61/560702461.db2.gz SUMVZRMETKDPCZ-NBVRZTHBSA-N 0 1 423.538 4.108 40 10 HICBMN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000409344380 560712133 /nfs/dbraw/zinc/71/21/33/560712133.db2.gz JGNJEHFANJRUQY-COOUDCDJSA-N 0 1 418.565 4.472 40 10 HICBMN CC(C)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000409337987 560712459 /nfs/dbraw/zinc/71/24/59/560712459.db2.gz AUJHQCAPWRNNIJ-YBEGLDIGSA-N 0 1 418.565 4.329 40 10 HICBMN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc([N+](=O)[O-])c1O ZINC000409339157 560712752 /nfs/dbraw/zinc/71/27/52/560712752.db2.gz FIPCTJXDUGNBQR-OQLLNIDSSA-N 0 1 402.453 4.023 40 10 HICBMN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(C(=O)OC)cc1 ZINC000103918893 560734768 /nfs/dbraw/zinc/73/47/68/560734768.db2.gz YPHKCYOGNHCWIF-QNGOZBTKSA-N 0 1 407.470 4.371 40 10 HICBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000409099875 568417625 /nfs/dbraw/zinc/41/76/25/568417625.db2.gz MJRPNDJNQZOKAC-XNTDXEJSSA-N 0 1 421.305 4.223 40 10 HICBMN CN1CCN(c2ccc(CNC(=O)CCCSc3ccc(Cl)cc3)cc2)CC1 ZINC000222698020 568524076 /nfs/dbraw/zinc/52/40/76/568524076.db2.gz HGEJARAQHXHABW-UHFFFAOYSA-N 0 1 418.006 4.281 40 10 HICBMN COc1cc([N+](=O)[O-])cc(C=C2SC(Nc3ccccc3Cl)=NC2=O)c1O ZINC000033909249 568698414 /nfs/dbraw/zinc/69/84/14/568698414.db2.gz CAJGERPQLFZDJY-VGOFMYFVSA-N 0 1 405.819 4.045 40 10 HICBMN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000409015114 560666322 /nfs/dbraw/zinc/66/63/22/560666322.db2.gz ANFBOUOYTCBTDL-HUCUOGIVSA-N 0 1 408.523 4.312 40 10 HICBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2CC)C1=O ZINC000409102912 560677468 /nfs/dbraw/zinc/67/74/68/560677468.db2.gz BRQRFARSQIPYQC-FOWTUZBSSA-N 0 1 414.914 4.132 40 10 HICBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409107156 560678642 /nfs/dbraw/zinc/67/86/42/560678642.db2.gz VIVDZCGPOIEWKU-LFIBNONCSA-N 0 1 414.914 4.187 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)c(C)c1 ZINC000409140466 560683361 /nfs/dbraw/zinc/68/33/61/560683361.db2.gz DVKXLYRIEABCFT-QGOAFFKASA-N 0 1 402.475 4.395 40 10 HICBMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000409237480 560699371 /nfs/dbraw/zinc/69/93/71/560699371.db2.gz UUJRQCWBAQMLNJ-DEDYPNTBSA-N 0 1 408.523 4.429 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OC(C)C)C(=O)NC2=S)cc1Cl ZINC000409241431 560702297 /nfs/dbraw/zinc/70/22/97/560702297.db2.gz NGJHQJBQCWBCBE-MHWRWJLKSA-N 0 1 414.914 4.267 40 10 HICBMN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc([N+](=O)[O-])c1O ZINC000409339682 560710999 /nfs/dbraw/zinc/71/09/99/560710999.db2.gz KNGVKGHERRBLSU-OQLLNIDSSA-N 0 1 420.443 4.244 40 10 HICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000409404103 560721890 /nfs/dbraw/zinc/72/18/90/560721890.db2.gz BZBVUKVJELMYDZ-ZHZULCJRSA-N 0 1 404.853 4.380 40 10 HICBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(Br)cc1 ZINC000059135695 568700972 /nfs/dbraw/zinc/70/09/72/568700972.db2.gz QVCXFHDQPTZUSG-FMIVXFBMSA-N 0 1 405.248 4.260 40 10 HICBMN COc1ccc2ccc(OC)c(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2c1 ZINC000059109503 568703758 /nfs/dbraw/zinc/70/37/58/568703758.db2.gz HUHKKENAZXBMNA-DEDYPNTBSA-N 0 1 416.433 4.359 40 10 HICBMN COc1ccc(N2CCC([N@@H+](CCC(=O)[O-])Cc3ccc(Cl)cc3)CC2)cc1 ZINC000257216713 568780996 /nfs/dbraw/zinc/78/09/96/568780996.db2.gz CVUAEWVYLTUFLK-UHFFFAOYSA-N 0 1 402.922 4.294 40 10 HICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000033659111 569360320 /nfs/dbraw/zinc/36/03/20/569360320.db2.gz RAMGKXABKMJZTP-FMNVXAMXSA-N 0 1 414.889 4.377 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)c(C)c1 ZINC000005895242 132308436 /nfs/dbraw/zinc/30/84/36/132308436.db2.gz CRKPHGHFHMBLAR-HMMYKYKNSA-N 0 1 419.550 4.125 40 10 HICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000006331873 132310460 /nfs/dbraw/zinc/31/04/60/132310460.db2.gz AUZNIKMMSPMDIV-STZFKDTASA-N 0 1 415.518 4.234 40 10 HICBMN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000408856090 560647895 /nfs/dbraw/zinc/64/78/95/560647895.db2.gz HGMOFJGRKMTLEG-GHRIWEEISA-N 0 1 420.465 4.209 40 10 HICBMN CC(C)Oc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408866021 560648482 /nfs/dbraw/zinc/64/84/82/560648482.db2.gz FJICRDSJRYUHFJ-ZHZULCJRSA-N 0 1 416.502 4.458 40 10 HICBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)cc1 ZINC000409011303 560665496 /nfs/dbraw/zinc/66/54/96/560665496.db2.gz GZJVBDJPHMKMTI-CPNJWEJPSA-N 0 1 420.465 4.479 40 10 HICBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C ZINC000409022480 560667064 /nfs/dbraw/zinc/66/70/64/560667064.db2.gz PWZYYGMTGZKGBD-CPNJWEJPSA-N 0 1 419.481 4.065 40 10 HICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409202990 560693640 /nfs/dbraw/zinc/69/36/40/560693640.db2.gz VSRDDMDYQPUIJF-BKUYFWCQSA-N 0 1 405.498 4.115 40 10 HICBMN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409225822 560698064 /nfs/dbraw/zinc/69/80/64/560698064.db2.gz LRTBLDSRURQDMO-MLJWKTOOSA-N 0 1 414.914 4.349 40 10 HICBMN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000409331757 560710392 /nfs/dbraw/zinc/71/03/92/560710392.db2.gz PNANFRGTQYFXFG-MHWRWJLKSA-N 0 1 416.480 4.101 40 10 HICBMN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccc3c(c1O)C(=O)c1ccccc1C3=O)C2 ZINC000012659203 560784130 /nfs/dbraw/zinc/78/41/30/560784130.db2.gz YEDGCJIQWJJFAW-DLUDVSRJSA-N 0 1 403.478 4.208 40 10 HICBMN O=C1NC(=S)SC1=Cc1ccc(-c2ccc3c(c2)C(=O)C2=CCC=C[C@@H]2C3=O)o1 ZINC000012375223 568528969 /nfs/dbraw/zinc/52/89/69/568528969.db2.gz XDUMZTKWYCOVLG-JXIDHOQNSA-N 0 1 419.483 4.173 40 10 HICBMN Cc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000059198509 568702523 /nfs/dbraw/zinc/70/25/23/568702523.db2.gz MSUXATLGDQTJMX-XNTDXEJSSA-N 0 1 401.285 4.429 40 10 HICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000408767048 560630083 /nfs/dbraw/zinc/63/00/83/560630083.db2.gz VCGYYUNWVHYUOI-GHRIWEEISA-N 0 1 406.488 4.262 40 10 HICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000408884460 560649741 /nfs/dbraw/zinc/64/97/41/560649741.db2.gz YAIUXCYZOWXBIV-HKWRFOASSA-N 0 1 414.486 4.097 40 10 HICBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccccc3C)C(=O)NC2=S)c1 ZINC000409009990 560665297 /nfs/dbraw/zinc/66/52/97/560665297.db2.gz IZDXDLSXLFMTCR-XSFVSMFZSA-N 0 1 415.518 4.234 40 10 HICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc12 ZINC000409143461 560684273 /nfs/dbraw/zinc/68/42/73/560684273.db2.gz MFZWHZWDTZCLHB-CPNJWEJPSA-N 0 1 416.502 4.297 40 10 HICBMN COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000409228023 560698262 /nfs/dbraw/zinc/69/82/62/560698262.db2.gz SRVIBIXEUXULKE-GERLSISUSA-N 0 1 406.507 4.206 40 10 HICBMN COc1ccc(N2CCC([N@@H+](CC(=O)[O-])Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000257291320 568801888 /nfs/dbraw/zinc/80/18/88/568801888.db2.gz QGLZVQCTNBQOIJ-UHFFFAOYSA-N 0 1 406.885 4.043 40 10 HICBMN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1cc(Cl)cc(Cl)c1O ZINC000101572957 568936424 /nfs/dbraw/zinc/93/64/24/568936424.db2.gz LYHZHHJBUNDMJS-INIZCTEOSA-N 0 1 423.321 4.192 40 10 HICBMN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1cc(Cl)cc(Cl)c1O ZINC000101572953 568936467 /nfs/dbraw/zinc/93/64/67/568936467.db2.gz LYHZHHJBUNDMJS-MRXNPFEDSA-N 0 1 423.321 4.192 40 10 HICBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C)cc1 ZINC000033386747 569360148 /nfs/dbraw/zinc/36/01/48/569360148.db2.gz RGMXUPQJTQDLMG-QNGOZBTKSA-N 0 1 414.461 4.044 40 10 HICBMN COc1ccc(N2C(=O)C(=Cc3ccc(Br)s3)C(=O)NC2=S)cc1 ZINC000001197668 536656666 /nfs/dbraw/zinc/65/66/66/536656666.db2.gz XJEYFHJJOZNGTR-XYOKQWHBSA-N 0 1 423.313 4.191 40 10 HICBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)C(=O)NC2=S)c1 ZINC000408742644 557808950 /nfs/dbraw/zinc/80/89/50/557808950.db2.gz XJZZUWHKFDLWMG-RIYZIHGNSA-N 0 1 421.305 4.223 40 10 HICBMN Cn1c(=O)c(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(O)c2ccccc21 ZINC000100261143 559133462 /nfs/dbraw/zinc/13/34/62/559133462.db2.gz IPRQZCLXZMHRIU-SILNSSARSA-N 0 1 421.456 4.079 40 10 HICBMN CC(C)(OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(N=Nc2ccccc2)cc1 ZINC000104198903 559158910 /nfs/dbraw/zinc/15/89/10/559158910.db2.gz XSZZHUNNDOUPSN-HNQMNILESA-N 0 1 421.457 4.482 40 10 HICBMN CC(C)(OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(N=Nc2ccccc2)cc1 ZINC000104198909 559158924 /nfs/dbraw/zinc/15/89/24/559158924.db2.gz XSZZHUNNDOUPSN-MWFTZXFNSA-N 0 1 421.457 4.482 40 10 HICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2ccccc2F)cc1 ZINC000408866939 560648488 /nfs/dbraw/zinc/64/84/88/560648488.db2.gz INDBMGRYUAJVPG-HKWRFOASSA-N 0 1 416.477 4.248 40 10 HICBMN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000409015111 560666332 /nfs/dbraw/zinc/66/63/32/560666332.db2.gz ANFBOUOYTCBTDL-CXDFQFJYSA-N 0 1 408.523 4.312 40 10 HICBMN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000409053526 560669955 /nfs/dbraw/zinc/66/99/55/560669955.db2.gz ZDLZLBCZULFPTN-SXGWCWSVSA-N 0 1 416.480 4.019 40 10 HICBMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409131535 560680475 /nfs/dbraw/zinc/68/04/75/560680475.db2.gz JHXITHIZCXAZAI-UYRXBGFRSA-N 0 1 416.502 4.297 40 10 HICBMN CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2c1 ZINC000409206363 560691135 /nfs/dbraw/zinc/69/11/35/560691135.db2.gz NLAKFKMSWWNXMJ-ZHZULCJRSA-N 0 1 422.481 4.042 40 10 HICBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)c1 ZINC000409234540 560700977 /nfs/dbraw/zinc/70/09/77/560700977.db2.gz LMSJTALTTSKJSM-XMHGGMMESA-N 0 1 415.518 4.234 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C(C)C ZINC000409235460 560701195 /nfs/dbraw/zinc/70/11/95/560701195.db2.gz QEZCJIIKEWHGGK-RQZCQDPDSA-N 0 1 415.946 4.479 40 10 HICBMN CCc1cccc2c(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)c[nH]c21 ZINC000409332310 560710443 /nfs/dbraw/zinc/71/04/43/560710443.db2.gz QDMQBSBRHIDZOC-DHDCSXOGSA-N 0 1 413.549 4.338 40 10 HICBMN CN1CCN(c2ccc(CNC(=S)Nc3ccc(OC4CCCC4)cc3)cc2)CC1 ZINC000225777201 568673771 /nfs/dbraw/zinc/67/37/71/568673771.db2.gz VUBLUDHYHKMGQO-UHFFFAOYSA-N 0 1 424.614 4.246 40 10 HICBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OC ZINC000059136102 568701103 /nfs/dbraw/zinc/70/11/03/568701103.db2.gz WPTIZIUSJHAVGX-YRNVUSSQSA-N 0 1 420.849 4.168 40 10 HICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000034713526 569360575 /nfs/dbraw/zinc/36/05/75/569360575.db2.gz ILQABEUSVNSDJB-UYRXBGFRSA-N 0 1 404.853 4.380 40 10 HICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O[C@H](C)CC ZINC000034881927 557075320 /nfs/dbraw/zinc/07/53/20/557075320.db2.gz MCDHLKYTLIHMLV-VKZJTJHYSA-N 0 1 420.509 4.453 40 10 HICBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000408807652 560643551 /nfs/dbraw/zinc/64/35/51/560643551.db2.gz DECKLNFCLJCAFH-GZTJUZNOSA-N 0 1 414.914 4.187 40 10 HICBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000408819855 560645447 /nfs/dbraw/zinc/64/54/47/560645447.db2.gz UNIQDGQCEIMNDC-GZTJUZNOSA-N 0 1 414.914 4.187 40 10 HICBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)NC1=S ZINC000409012601 560665699 /nfs/dbraw/zinc/66/56/99/560665699.db2.gz KRIZSNXFEXVPGC-SFQUDFHCSA-N 0 1 406.438 4.225 40 10 HICBMN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409103556 560675527 /nfs/dbraw/zinc/67/55/27/560675527.db2.gz AGUHDDILTBRAKM-UKTHLTGXSA-N 0 1 421.305 4.142 40 10 HICBMN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409130343 560681714 /nfs/dbraw/zinc/68/17/14/560681714.db2.gz HINALWAGGMHMHA-APVMCDBPSA-N 0 1 408.523 4.312 40 10 HICBMN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409225823 560698121 /nfs/dbraw/zinc/69/81/21/560698121.db2.gz LRTBLDSRURQDMO-UESPBHMZSA-N 0 1 414.914 4.349 40 10 HICBMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000409237507 560699395 /nfs/dbraw/zinc/69/93/95/560699395.db2.gz XBXVFFSKBJVBPH-SSZFMOIBSA-N 0 1 413.930 4.018 40 10 HICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000409230387 560700182 /nfs/dbraw/zinc/70/01/82/560700182.db2.gz CRVYRQBDTSQCBQ-NTUHNPAUSA-N 0 1 421.305 4.142 40 10 HICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000409405119 560722031 /nfs/dbraw/zinc/72/20/31/560722031.db2.gz GKVWVSOLOKIRSL-STZFKDTASA-N 0 1 404.853 4.380 40 10 HICBMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000100507533 560725360 /nfs/dbraw/zinc/72/53/60/560725360.db2.gz WRCLDXAKDDFFGL-UVTDQMKNSA-N 0 1 401.220 4.076 40 10 HICBMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000005927473 568935819 /nfs/dbraw/zinc/93/58/19/568935819.db2.gz YURJYKITKZNMBH-UNOMPAQXSA-N 0 1 404.445 4.448 40 10 HICBMN CC[C@H](C)Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033700544 569360398 /nfs/dbraw/zinc/36/03/98/569360398.db2.gz TXEZMSZDONMDBL-IGWPVBGESA-N 0 1 415.287 4.088 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)cc1C ZINC000005896693 132308465 /nfs/dbraw/zinc/30/84/65/132308465.db2.gz ILLJBSCHUPIKIL-RCCKNPSSSA-N 0 1 419.550 4.125 40 10 HICBMN O=C1NC(=O)C(=Cc2c(OCc3cccc4ccccc43)ccc3ccccc32)C(=O)N1 ZINC000016526319 558795505 /nfs/dbraw/zinc/79/55/05/558795505.db2.gz COYOQVYPYPENII-UHFFFAOYSA-N 0 1 422.440 4.321 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1C(C)(C)C ZINC000409125338 560680881 /nfs/dbraw/zinc/68/08/81/560680881.db2.gz CYFMWLFQLACXCM-LDADJPATSA-N 0 1 409.555 4.308 40 10 HICBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)c1 ZINC000409220979 560698726 /nfs/dbraw/zinc/69/87/26/560698726.db2.gz ITDITVRRBVQOIB-QGOAFFKASA-N 0 1 402.475 4.395 40 10 HICBMN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409221016 560698758 /nfs/dbraw/zinc/69/87/58/560698758.db2.gz JHSKMRSXTMMTII-RIYZIHGNSA-N 0 1 421.305 4.142 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1C(C)(C)C ZINC000409236947 560699287 /nfs/dbraw/zinc/69/92/87/560699287.db2.gz HCRLMZMEYWYKRA-LDADJPATSA-N 0 1 409.555 4.308 40 10 HICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000409409172 560722698 /nfs/dbraw/zinc/72/26/98/560722698.db2.gz TXPPUVIEYNPZRL-ZHZULCJRSA-N 0 1 404.853 4.380 40 10 HICBMN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1 ZINC000112125233 560776696 /nfs/dbraw/zinc/77/66/96/560776696.db2.gz RQHKQDVVVGKSPH-UNOMPAQXSA-N 0 1 401.825 4.131 40 10 HICBMN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000219346412 568490330 /nfs/dbraw/zinc/49/03/30/568490330.db2.gz QMTQGOBRAFWCHT-XMMPIXPASA-N 0 1 417.553 4.065 40 10 HICBMN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000222943132 568531880 /nfs/dbraw/zinc/53/18/80/568531880.db2.gz WWGAZWCHUMYRIR-DEOSSOPVSA-N 0 1 423.601 4.210 40 10 HICBMN N#[N+]C=C([O-])[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000096327369 569279516 /nfs/dbraw/zinc/27/95/16/569279516.db2.gz IYDQDADXJDTFLP-QHCPKHFHSA-N 0 1 411.461 4.006 40 10 HICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OC(C)C ZINC000033383503 569360255 /nfs/dbraw/zinc/36/02/55/569360255.db2.gz RDQGRLNAFGCZMA-ZHZULCJRSA-N 0 1 406.482 4.062 40 10 HICBMN CC[C@@H](C)Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033700540 569360343 /nfs/dbraw/zinc/36/03/43/569360343.db2.gz TXEZMSZDONMDBL-KAECEXQPSA-N 0 1 415.287 4.088 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)c(C)c1 ZINC000208489504 569361571 /nfs/dbraw/zinc/36/15/71/569361571.db2.gz CRKPHGHFHMBLAR-HKWRFOASSA-N 0 1 419.550 4.125 40 10 HICBMN O=C1NC(=S)SC1=Cc1ccc(-c2ccc3c(c2)C(=O)C2=CCC=C[C@H]2C3=O)o1 ZINC000111068456 569387835 /nfs/dbraw/zinc/38/78/35/569387835.db2.gz XDUMZTKWYCOVLG-DTVMNVQKSA-N 0 1 419.483 4.173 40 10 HICBMN Cc1cccc(N2C(=O)C(=Cc3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c1C ZINC000001278396 132243533 /nfs/dbraw/zinc/24/35/33/132243533.db2.gz HRONMFDVBKLZGI-CPNJWEJPSA-N 0 1 417.490 4.471 40 10 HICBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000006927447 557730622 /nfs/dbraw/zinc/73/06/22/557730622.db2.gz GJIQZAJEVZGNSC-QNGOZBTKSA-N 0 1 404.466 4.060 40 10 HICBMN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409130346 560681748 /nfs/dbraw/zinc/68/17/48/560681748.db2.gz HINALWAGGMHMHA-HZGBGQKMSA-N 0 1 408.523 4.312 40 10 HICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409200462 560692614 /nfs/dbraw/zinc/69/26/14/560692614.db2.gz LQWNFXWRNZXBNK-UNOMPAQXSA-N 0 1 411.889 4.152 40 10 HICBMN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000409246788 560701637 /nfs/dbraw/zinc/70/16/37/560701637.db2.gz DMYXECRHUVJODF-XMHGGMMESA-N 0 1 416.502 4.378 40 10 HICBMN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409329319 560710005 /nfs/dbraw/zinc/71/00/05/560710005.db2.gz DPYVFBYDHKAOQP-PILJQMSFSA-N 0 1 418.565 4.472 40 10 HICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409409237 560722806 /nfs/dbraw/zinc/72/28/06/560722806.db2.gz URXLCBDZLKNVEY-STZFKDTASA-N 0 1 404.853 4.380 40 10 HICBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OC(C)C ZINC000059135957 568701154 /nfs/dbraw/zinc/70/11/54/568701154.db2.gz KFMVCKMYIRBYAU-GXDHUFHOSA-N 0 1 414.458 4.293 40 10 HICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000408723216 557771655 /nfs/dbraw/zinc/77/16/55/557771655.db2.gz REGLDZMNPLGBLM-LDADJPATSA-N 0 1 413.930 4.018 40 10 HICBMN Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Cl ZINC000408815359 560644260 /nfs/dbraw/zinc/64/42/60/560644260.db2.gz RCZQKRIZGWCHMS-UHFFFAOYSA-N 0 1 420.852 4.130 40 10 HICBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000409135003 560682300 /nfs/dbraw/zinc/68/23/00/560682300.db2.gz PDWJWEPNMZVXDG-DQPIFXJKSA-N 0 1 408.523 4.312 40 10 HICBMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409228255 560698292 /nfs/dbraw/zinc/69/82/92/560698292.db2.gz WLYRTGBQNMIQNJ-VBKFSLOCSA-N 0 1 422.893 4.333 40 10 HICBMN Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409236776 560699315 /nfs/dbraw/zinc/69/93/15/560699315.db2.gz FWZIPNUVTFVZFN-DTQAZKPQSA-N 0 1 421.909 4.270 40 10 HICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c2ccccc12 ZINC000409237599 560699353 /nfs/dbraw/zinc/69/93/53/560699353.db2.gz AGGISMXMYZPFIN-XMHGGMMESA-N 0 1 416.502 4.378 40 10 HICBMN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000217029091 568470407 /nfs/dbraw/zinc/47/04/07/568470407.db2.gz WHHDUDFWGMFQCM-NRFANRHFSA-N 0 1 418.006 4.279 40 10 HICBMN Cc1ccc(Cl)cc1NC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000110029970 569353780 /nfs/dbraw/zinc/35/37/80/569353780.db2.gz RZUCHCHBTUOZOV-WQLSENKSSA-N 0 1 424.284 4.185 40 10 HICBMN COc1cc(F)c(Oc2ccccc2)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033655463 569360291 /nfs/dbraw/zinc/36/02/91/569360291.db2.gz IFQLVSJDXGBJPO-PDGQHHTCSA-N 0 1 404.397 4.088 40 10 HICBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccccc1Cl ZINC000408722080 557769135 /nfs/dbraw/zinc/76/91/35/557769135.db2.gz DEGOWMIDECUSGX-YRNVUSSQSA-N 0 1 411.697 4.478 40 10 HICBMN CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000408744076 557810945 /nfs/dbraw/zinc/81/09/45/557810945.db2.gz YPBUGJYLICOZID-ZHZULCJRSA-N 0 1 416.502 4.378 40 10 HICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1Cc1ccccc1F ZINC000408883900 560649723 /nfs/dbraw/zinc/64/97/23/560649723.db2.gz VYTLQJZUCWMLFB-HKWRFOASSA-N 0 1 416.477 4.248 40 10 HICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc12 ZINC000409129073 560681513 /nfs/dbraw/zinc/68/15/13/560681513.db2.gz UFLZNXLQAOPWRA-CPNJWEJPSA-N 0 1 416.502 4.297 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3C)C(=O)NC2=S)c(C)c1 ZINC000409131170 560681905 /nfs/dbraw/zinc/68/19/05/560681905.db2.gz NLRJJJWVSTYDRR-XMHGGMMESA-N 0 1 415.518 4.234 40 10 HICBMN CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409228988 560698381 /nfs/dbraw/zinc/69/83/81/560698381.db2.gz IDLAYARTHKYBNA-RAXLEYEMSA-N 0 1 421.305 4.223 40 10 HICBMN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cccc1OC ZINC000409221124 560698755 /nfs/dbraw/zinc/69/87/55/560698755.db2.gz LENQQVBXMJZCQQ-XOAFGZPJSA-N 0 1 424.522 4.012 40 10 HICBMN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409238292 560699571 /nfs/dbraw/zinc/69/95/71/560699571.db2.gz WRTGVMUPQTXHDW-CPNJWEJPSA-N 0 1 408.523 4.429 40 10 HICBMN Cc1ccccc1N1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)NC1=S ZINC000409232470 560700540 /nfs/dbraw/zinc/70/05/40/560700540.db2.gz IGLZKPGHEMDEDM-LDADJPATSA-N 0 1 403.507 4.362 40 10 HICBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000409248301 560701826 /nfs/dbraw/zinc/70/18/26/560701826.db2.gz PISHLVQPQIXYNW-MLDYKZIASA-N 0 1 414.914 4.349 40 10 HICBMN COc1ccc(NC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)c(OC)c1 ZINC000103916583 560734895 /nfs/dbraw/zinc/73/48/95/560734895.db2.gz PZHURQINIWFEOF-UNOMPAQXSA-N 0 1 408.483 4.422 40 10 HICBMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000223642201 568554530 /nfs/dbraw/zinc/55/45/30/568554530.db2.gz ZIUQBHGRUZOFSX-UHFFFAOYSA-N 0 1 416.296 4.481 40 10 HICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(OC(F)(F)F)cc2)o1 ZINC000033298399 568696793 /nfs/dbraw/zinc/69/67/93/568696793.db2.gz FWIACOYXFNJOPY-ATVHPVEESA-N 0 1 414.339 4.307 40 10 HICBMN CCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000009933311 568939735 /nfs/dbraw/zinc/93/97/35/568939735.db2.gz CFVSPBKJOIDUDU-JYRVWZFOSA-N 0 1 421.305 4.223 40 10 HICBMN CC(C)c1ccccc1NC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000408553135 557442380 /nfs/dbraw/zinc/44/23/80/557442380.db2.gz XUUDENSHASCIQM-UVTDQMKNSA-N 0 1 417.893 4.346 40 10 HICBMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc12 ZINC000408917448 560653437 /nfs/dbraw/zinc/65/34/37/560653437.db2.gz UQPZAQRXCJVBLT-UYRXBGFRSA-N 0 1 420.465 4.209 40 10 HICBMN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409243740 560702842 /nfs/dbraw/zinc/70/28/42/560702842.db2.gz XYLDCKDMVTXANO-APVMCDBPSA-N 0 1 408.523 4.312 40 10 HICBMN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000222943063 568531888 /nfs/dbraw/zinc/53/18/88/568531888.db2.gz WWGAZWCHUMYRIR-XMMPIXPASA-N 0 1 423.601 4.210 40 10 HICBMN CCc1ccc(N2C(=O)/C(=C/c3cn(CC)c4ccccc34)C(=O)NC2=S)cc1 ZINC000107598322 569352742 /nfs/dbraw/zinc/35/27/42/569352742.db2.gz DNHLUNUBCMQFTO-CPNJWEJPSA-N 0 1 403.507 4.055 40 10 HICBMN COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(S(N)(=O)=O)cc3)c2c1 ZINC000004821507 557603249 /nfs/dbraw/zinc/60/32/49/557603249.db2.gz KYYBSRNDYREPEQ-UHFFFAOYSA-N 0 1 413.886 4.441 40 10 HICBMN Cc1ccc(Nc2cc3c([n-][n+](=O)n3C(C)C)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000408710520 557739063 /nfs/dbraw/zinc/73/90/63/557739063.db2.gz IPKIBADRHVPGOG-UHFFFAOYSA-O 0 1 413.457 4.292 40 10 HICBMN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(N3CCCC3)c(F)c2)CC1 ZINC000012328333 558383557 /nfs/dbraw/zinc/38/35/57/558383557.db2.gz UVYWWQOVQCUYRK-UHFFFAOYSA-N 0 1 413.512 4.192 40 10 HICBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000409129030 560681541 /nfs/dbraw/zinc/68/15/41/560681541.db2.gz TZJGSXFITKUBIS-XSFVSMFZSA-N 0 1 415.518 4.234 40 10 HICBMN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000219346506 568490357 /nfs/dbraw/zinc/49/03/57/568490357.db2.gz QMTQGOBRAFWCHT-DEOSSOPVSA-N 0 1 417.553 4.065 40 10 HICBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C)c1 ZINC000006450625 569360083 /nfs/dbraw/zinc/36/00/83/569360083.db2.gz UAKOLSXYFYMFHF-RCCKNPSSSA-N 0 1 414.461 4.044 40 10 HICBMN CCn1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc21 ZINC000108265841 569361269 /nfs/dbraw/zinc/36/12/69/569361269.db2.gz NXCJQPFZURADBX-YBEGLDIGSA-N 0 1 413.549 4.269 40 10 HICBMN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000408528497 557291016 /nfs/dbraw/zinc/29/10/16/557291016.db2.gz GFNKPPNBIRWTEC-YBEGLDIGSA-N 0 1 415.247 4.384 40 10 HICBMN Cc1[nH]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000408528497 557291018 /nfs/dbraw/zinc/29/10/18/557291018.db2.gz GFNKPPNBIRWTEC-YBEGLDIGSA-N 0 1 415.247 4.384 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccccc1 ZINC000408787086 560641741 /nfs/dbraw/zinc/64/17/41/560641741.db2.gz QZSPCPRECZHYLK-KGENOOAVSA-N 0 1 415.518 4.234 40 10 HICBMN CCc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408856716 560647286 /nfs/dbraw/zinc/64/72/86/560647286.db2.gz QWAFIYXICXJCMI-JLHYYAGUSA-N 0 1 405.306 4.387 40 10 HICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408853928 560647654 /nfs/dbraw/zinc/64/76/54/560647654.db2.gz SXDQBKHSWPNHKQ-JLHYYAGUSA-N 0 1 421.305 4.223 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)cc1C ZINC000408960997 560658118 /nfs/dbraw/zinc/65/81/18/560658118.db2.gz PRJXPRWWZNAPSM-KGENOOAVSA-N 0 1 419.550 4.043 40 10 HICBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C(=O)NC2=S)c1C ZINC000409141451 560683502 /nfs/dbraw/zinc/68/35/02/560683502.db2.gz JUJPNSUJMZESPU-CPNJWEJPSA-N 0 1 419.481 4.065 40 10 HICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Cl ZINC000409245711 560701366 /nfs/dbraw/zinc/70/13/66/560701366.db2.gz XZLLWPKSHWPEBW-MHWRWJLKSA-N 0 1 414.914 4.303 40 10 HICBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000409248300 560701822 /nfs/dbraw/zinc/70/18/22/560701822.db2.gz PISHLVQPQIXYNW-HKJJFUAXSA-N 0 1 414.914 4.349 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1C(C)(C)C ZINC000409241344 560702341 /nfs/dbraw/zinc/70/23/41/560702341.db2.gz RKBVJSZJLQOBDZ-RVDMUPIBSA-N 0 1 415.946 4.345 40 10 HICBMN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc([N+](=O)[O-])c1O ZINC000409339002 560712690 /nfs/dbraw/zinc/71/26/90/560712690.db2.gz DACGQUBNZVKNGC-XNTDXEJSSA-N 0 1 408.501 4.233 40 10 HICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000409403717 560721805 /nfs/dbraw/zinc/72/18/05/560721805.db2.gz ASXLYIRBZIQAFE-QNGOZBTKSA-N 0 1 414.461 4.126 40 10 HICBMN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21 ZINC000208194574 568443581 /nfs/dbraw/zinc/44/35/81/568443581.db2.gz KJKZJHYPLNVUEE-DQPIFXJKSA-N 0 1 419.550 4.240 40 10 HICBMN COc1ccc(N2CCC([N@@H+](CC(=O)[O-])Cc3c(F)cccc3Cl)CC2)cc1 ZINC000257231203 568785108 /nfs/dbraw/zinc/78/51/08/568785108.db2.gz GFTWNZYIQKAENS-UHFFFAOYSA-N 0 1 406.885 4.043 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1Cl ZINC000107972034 569353261 /nfs/dbraw/zinc/35/32/61/569353261.db2.gz CPHARPCUBVTHJB-GZTJUZNOSA-N 0 1 423.856 4.003 40 10 HICBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000225763790 569361747 /nfs/dbraw/zinc/36/17/47/569361747.db2.gz OBEFERUPUGFZDT-NTUHNPAUSA-N 0 1 411.697 4.478 40 10 HICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O[C@@H](C)CC ZINC000034881929 557075374 /nfs/dbraw/zinc/07/53/74/557075374.db2.gz MCDHLKYTLIHMLV-SZHLLGMXSA-N 0 1 420.509 4.453 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1C1CCCC1 ZINC000408780163 560640926 /nfs/dbraw/zinc/64/09/26/560640926.db2.gz UHNPRFOBKTYZOS-SFQUDFHCSA-N 0 1 411.502 4.190 40 10 HICBMN COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409074745 560672844 /nfs/dbraw/zinc/67/28/44/560672844.db2.gz RFFBTAJSUYKZIL-XPNFCJTCSA-N 0 1 412.898 4.045 40 10 HICBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000409135006 560682304 /nfs/dbraw/zinc/68/23/04/560682304.db2.gz PDWJWEPNMZVXDG-SJPXOZHESA-N 0 1 408.523 4.312 40 10 HICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409205830 560694378 /nfs/dbraw/zinc/69/43/78/560694378.db2.gz KKSOHJNBURVYJJ-MOSHPQCFSA-N 0 1 405.498 4.115 40 10 HICBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000409232030 560700376 /nfs/dbraw/zinc/70/03/76/560700376.db2.gz GQSOWCVUGBSQBL-HUCUOGIVSA-N 0 1 408.523 4.312 40 10 HICBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000409244032 560702981 /nfs/dbraw/zinc/70/29/81/560702981.db2.gz WOFGQSLGKPZERC-GHRIWEEISA-N 0 1 421.909 4.270 40 10 HICBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1N1CCCC1 ZINC000059104299 568700378 /nfs/dbraw/zinc/70/03/78/568700378.db2.gz MBFLRHVMKQVLDZ-SSZFMOIBSA-N 0 1 409.486 4.406 40 10 HICBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000059305955 569352396 /nfs/dbraw/zinc/35/23/96/569352396.db2.gz XAPXZYAZGNENQN-UHFFFAOYSA-N 0 1 408.454 4.179 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000109033828 569353791 /nfs/dbraw/zinc/35/37/91/569353791.db2.gz XNCNRFGZQMYQDG-VXLYETTFSA-N 0 1 423.856 4.003 40 10 HICBMN CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000034721438 569360606 /nfs/dbraw/zinc/36/06/06/569360606.db2.gz MXZZKSMWLIFWRC-YYTPVVGHSA-N 0 1 415.287 4.088 40 10 HICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OC(C)(C)C ZINC000107767092 569361153 /nfs/dbraw/zinc/36/11/53/569361153.db2.gz ROSDWGCJZBTJKW-HKWRFOASSA-N 0 1 420.509 4.453 40 10 HICBMN O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000044910681 526682648 /nfs/dbraw/zinc/68/26/48/526682648.db2.gz TUPROMYNXNOZLC-UHFFFAOYSA-N 0 1 409.549 4.344 40 10 HICBMN Cc1c(Cl)cccc1NC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000408552814 557441937 /nfs/dbraw/zinc/44/19/37/557441937.db2.gz VQKUQTQCDIFDDQ-FLIBITNWSA-N 0 1 424.284 4.185 40 10 HICBMN COC(=O)c1ccc(C(=O)Nc2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cc1 ZINC000005879094 557678789 /nfs/dbraw/zinc/67/87/89/557678789.db2.gz JYOMIOOWYUUSHQ-UHFFFAOYSA-N 0 1 414.465 4.335 40 10 HICBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000408857130 560647412 /nfs/dbraw/zinc/64/74/12/560647412.db2.gz SGARVOKYBCUJGH-XYOKQWHBSA-N 0 1 416.289 4.306 40 10 HICBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)NC1=S ZINC000408962460 560658401 /nfs/dbraw/zinc/65/84/01/560658401.db2.gz YJXKWZKZMSBQLC-CAPFRKAQSA-N 0 1 419.550 4.071 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1C(C)(C)C ZINC000409131702 560680442 /nfs/dbraw/zinc/68/04/42/560680442.db2.gz JEJYUUZOPBGCGC-LDADJPATSA-N 0 1 409.555 4.308 40 10 HICBMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409129789 560681610 /nfs/dbraw/zinc/68/16/10/560681610.db2.gz UXQMYPPIZHVEAM-UYRXBGFRSA-N 0 1 416.502 4.297 40 10 HICBMN CC(C)c1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1 ZINC000409230124 560700152 /nfs/dbraw/zinc/70/01/52/560700152.db2.gz BQCHFCBVCUYHCV-FFEFAENFSA-N 0 1 421.478 4.106 40 10 HICBMN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000409327991 560709714 /nfs/dbraw/zinc/70/97/14/560709714.db2.gz OVAQPDACVTTWQT-MHWRWJLKSA-N 0 1 416.480 4.413 40 10 HICBMN CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000409346943 560713048 /nfs/dbraw/zinc/71/30/48/560713048.db2.gz OVVOKIXXIOBSOC-PTNGSMBKSA-N 0 1 404.538 4.083 40 10 HICBMN COc1ccc(N2CCC([N@@H+](CCC(=O)[O-])CCc3cccc(Cl)c3)CC2)cc1 ZINC000257213898 568780173 /nfs/dbraw/zinc/78/01/73/568780173.db2.gz CJPCHEJXIDJPHK-UHFFFAOYSA-N 0 1 416.949 4.337 40 10 HICBMN CC(C)(C)Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033656239 569360405 /nfs/dbraw/zinc/36/04/05/569360405.db2.gz CTHQXMZRLPWJEZ-VBKFSLOCSA-N 0 1 415.287 4.088 40 10 HICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@@H](C)CC ZINC000108277104 569361248 /nfs/dbraw/zinc/36/12/48/569361248.db2.gz ARPXSBFYMBGDQV-IEOAWGNMSA-N 0 1 406.482 4.062 40 10 HICBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1-c1ccc(F)cc1 ZINC000032115818 526947852 /nfs/dbraw/zinc/94/78/52/526947852.db2.gz QGNITRJSUPXDPS-PDGQHHTCSA-N 0 1 409.417 4.427 40 10 HICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000408691965 557707969 /nfs/dbraw/zinc/70/79/69/557707969.db2.gz ABSRRPHBRJLNGB-CPNJWEJPSA-N 0 1 424.884 4.323 40 10 HICBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000016476973 558793428 /nfs/dbraw/zinc/79/34/28/558793428.db2.gz LZXREFRXELNBLJ-UHFFFAOYSA-N 0 1 416.842 4.280 40 10 HICBMN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000037342267 558804202 /nfs/dbraw/zinc/80/42/02/558804202.db2.gz VYXPNIBNIDZLNF-RIYZIHGNSA-N 0 1 422.871 4.368 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1 ZINC000408779533 560640904 /nfs/dbraw/zinc/64/09/04/560640904.db2.gz XVRGWZRLFOPKBC-QGOAFFKASA-N 0 1 419.481 4.065 40 10 HICBMN Cc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc2n1C ZINC000408818038 560644792 /nfs/dbraw/zinc/64/47/92/560644792.db2.gz MQXOWUPETAETHI-GZTJUZNOSA-N 0 1 423.925 4.280 40 10 HICBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)c1 ZINC000409012600 560665733 /nfs/dbraw/zinc/66/57/33/560665733.db2.gz QTZZMCFVEGYLJP-LDADJPATSA-N 0 1 406.438 4.225 40 10 HICBMN CCn1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c2ccccc21 ZINC000409220953 560698702 /nfs/dbraw/zinc/69/87/02/560698702.db2.gz IIQRLJOEAHKYLX-LDADJPATSA-N 0 1 403.507 4.109 40 10 HICBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1C ZINC000409246070 560701530 /nfs/dbraw/zinc/70/15/30/560701530.db2.gz DMFVYPVKRYWSBM-XMHGGMMESA-N 0 1 415.518 4.234 40 10 HICBMN CC(C)c1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1 ZINC000409247296 560701744 /nfs/dbraw/zinc/70/17/44/560701744.db2.gz MDHBLKZBTKUOLX-FZTLNYMGSA-N 0 1 419.550 4.264 40 10 HICBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)(C)C)c3C)C(=O)NC2=S)cc1 ZINC000409378684 560718387 /nfs/dbraw/zinc/71/83/87/560718387.db2.gz RNFJAMSQPHQBFW-CPNJWEJPSA-N 0 1 409.555 4.254 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)cc1C ZINC000208489541 569361577 /nfs/dbraw/zinc/36/15/77/569361577.db2.gz ILLJBSCHUPIKIL-QNGOZBTKSA-N 0 1 419.550 4.125 40 10 HICBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000408722439 557769652 /nfs/dbraw/zinc/76/96/52/557769652.db2.gz IWZQMJHZSUCIQT-AWNIVKPZSA-N 0 1 411.697 4.478 40 10 HICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000409096562 560675843 /nfs/dbraw/zinc/67/58/43/560675843.db2.gz DQUAJNZAKBOHSN-XYOKQWHBSA-N 0 1 421.305 4.142 40 10 HICBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccccc2OC(C)C)C(=O)NC1=S ZINC000409098145 560676217 /nfs/dbraw/zinc/67/62/17/560676217.db2.gz PQWGYYNVASZSCR-RVDMUPIBSA-N 0 1 414.914 4.267 40 10 HICBMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cccc1OC ZINC000409221123 560698706 /nfs/dbraw/zinc/69/87/06/560698706.db2.gz LENQQVBXMJZCQQ-OVGFGYAMSA-N 0 1 424.522 4.012 40 10 HICBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(=O)NC2=S)c1 ZINC000409238779 560699662 /nfs/dbraw/zinc/69/96/62/560699662.db2.gz LXUZNHFYRCHIJK-GHRIWEEISA-N 0 1 419.481 4.065 40 10 HICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000409233126 560700712 /nfs/dbraw/zinc/70/07/12/560700712.db2.gz QPHYKILOSKBHPF-YRNVUSSQSA-N 0 1 416.833 4.252 40 10 HICBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000409249648 560702078 /nfs/dbraw/zinc/70/20/78/560702078.db2.gz KUKZEDIBVXWDHT-XSFVSMFZSA-N 0 1 415.518 4.234 40 10 HICBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)NC2=S)cc1 ZINC000409250700 560702223 /nfs/dbraw/zinc/70/22/23/560702223.db2.gz NMRJTBQFURQTPC-XMHGGMMESA-N 0 1 423.538 4.225 40 10 HICBMN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409327755 560709754 /nfs/dbraw/zinc/70/97/54/560709754.db2.gz MKAHZFPMPGTXRL-OVCLIPMQSA-N 0 1 420.443 4.244 40 10 HICBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 ZINC000001163108 560727444 /nfs/dbraw/zinc/72/74/44/560727444.db2.gz FJNRIQROBQXVSX-LZYBPNLTSA-N 0 1 424.254 4.433 40 10 HICBMN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(C(=O)OC)cc1 ZINC000112289640 560778150 /nfs/dbraw/zinc/77/81/50/560778150.db2.gz SSBIPCHHUOWLER-ZHZULCJRSA-N 0 1 422.441 4.270 40 10 HICBMN COc1ccc(N2CCC([N@@H+](CC(=O)[O-])Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000257229988 568784849 /nfs/dbraw/zinc/78/48/49/568784849.db2.gz GAFUVQSZWUKSNY-UHFFFAOYSA-N 0 1 406.885 4.043 40 10 HICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(C)(C)C ZINC000033782951 569360467 /nfs/dbraw/zinc/36/04/67/569360467.db2.gz OSVKJEZCRMADJO-WJDWOHSUSA-N 0 1 414.889 4.377 40 10 HICBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)c(Br)c1 ZINC000107934266 569361161 /nfs/dbraw/zinc/36/11/61/569361161.db2.gz VDXPMLPOAVRSMT-ATVHPVEESA-N 0 1 423.266 4.479 40 10 HICBMN O=C(Oc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000108926934 569361349 /nfs/dbraw/zinc/36/13/49/569361349.db2.gz KKUQAZGJOMVMCE-XMHGGMMESA-N 0 1 418.836 4.021 40 10 HICBMN CC[NH+](CC)Cc1c(/C=C/c2cc(OC)c(OC)c(OC)c2)ccc(OC)c1[O-] ZINC000001630379 557277544 /nfs/dbraw/zinc/27/75/44/557277544.db2.gz JHARFPLXNNSUCG-MDZDMXLPSA-N 0 1 401.503 4.439 40 10 HICBMN Cc1cccc2c(O)c(C=C3C(=O)N(c4ccccc4)N=C3c3ccccc3)c(=O)[nH]c12 ZINC000003850465 557501084 /nfs/dbraw/zinc/50/10/84/557501084.db2.gz IDEVJRSSKVRWAZ-HKWRFOASSA-N 0 1 421.456 4.377 40 10 HICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408692718 557709361 /nfs/dbraw/zinc/70/93/61/557709361.db2.gz SUJFZFYKQRMPNI-DEDYPNTBSA-N 0 1 424.884 4.323 40 10 HICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1Cc1cccc(F)c1 ZINC000408884875 560649946 /nfs/dbraw/zinc/64/99/46/560649946.db2.gz VUYCLIPONNFQOT-QNGOZBTKSA-N 0 1 416.477 4.248 40 10 HICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2cccc(F)c2)cc1 ZINC000408882567 560650024 /nfs/dbraw/zinc/65/00/24/560650024.db2.gz RBHWUYIIZJYGGK-QNGOZBTKSA-N 0 1 416.477 4.248 40 10 HICBMN CCn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 ZINC000409131615 560680415 /nfs/dbraw/zinc/68/04/15/560680415.db2.gz JLZLDXJQRFWFTD-LDADJPATSA-N 0 1 403.507 4.109 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1C(C)C ZINC000409237251 560699345 /nfs/dbraw/zinc/69/93/45/560699345.db2.gz IZAAORDPHSPJDA-XNTDXEJSSA-N 0 1 401.919 4.171 40 10 HICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c2ccccc12 ZINC000409235030 560701034 /nfs/dbraw/zinc/70/10/34/560701034.db2.gz AAFPLEJQVLQKOP-CPNJWEJPSA-N 0 1 416.502 4.297 40 10 HICBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)C(=O)NC1=S ZINC000409241413 560702301 /nfs/dbraw/zinc/70/23/01/560702301.db2.gz XKXIXWBAXXHMFL-XNTDXEJSSA-N 0 1 414.914 4.267 40 10 HICBMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1Cl ZINC000223649206 568554860 /nfs/dbraw/zinc/55/48/60/568554860.db2.gz JPWQOTDLPFDPDZ-UHFFFAOYSA-N 0 1 401.871 4.380 40 10 HICBMN CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O ZINC000059417957 568706046 /nfs/dbraw/zinc/70/60/46/568706046.db2.gz LWZSWAZDKXEWGK-SXGWCWSVSA-N 0 1 416.480 4.101 40 10 HICBMN CC[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000034721439 557015888 /nfs/dbraw/zinc/01/58/88/557015888.db2.gz MXZZKSMWLIFWRC-RERGGYADSA-N 0 1 415.287 4.088 40 10 HICBMN CCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408535435 557332175 /nfs/dbraw/zinc/33/21/75/557332175.db2.gz YWGCMUNGXQVPCN-LGMDPLHJSA-N 0 1 414.914 4.350 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408753430 557814759 /nfs/dbraw/zinc/81/47/59/557814759.db2.gz MSOJEYDZAALSHO-KGENOOAVSA-N 0 1 415.518 4.234 40 10 HICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000408786499 560641745 /nfs/dbraw/zinc/64/17/45/560641745.db2.gz RJFGWBOMXSHVLL-MHWRWJLKSA-N 0 1 414.914 4.187 40 10 HICBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccc(Cl)c1 ZINC000408847950 560646759 /nfs/dbraw/zinc/64/67/59/560646759.db2.gz XDIYZJXJHKUHCF-DHZHZOJOSA-N 0 1 411.697 4.478 40 10 HICBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(OC(C)C)cc2)C(=O)NC1=S ZINC000409088400 560675114 /nfs/dbraw/zinc/67/51/14/560675114.db2.gz LLZULJXOVRWQMH-LFIBNONCSA-N 0 1 414.914 4.267 40 10 HICBMN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409136523 560682524 /nfs/dbraw/zinc/68/25/24/560682524.db2.gz XCEQLCFDXDXLNL-VUODPORTSA-N 0 1 408.523 4.312 40 10 HICBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccccc3C)C(=O)NC2=S)c1 ZINC000409231604 560700367 /nfs/dbraw/zinc/70/03/67/560700367.db2.gz KGNFYAKYEMGVDH-XMHGGMMESA-N 0 1 415.518 4.234 40 10 HICBMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409404423 560721955 /nfs/dbraw/zinc/72/19/55/560721955.db2.gz CSJMEQWFMSLZCI-KGENOOAVSA-N 0 1 414.461 4.044 40 10 HICBMN CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc12 ZINC000005844235 560738999 /nfs/dbraw/zinc/73/89/99/560738999.db2.gz SVEZFNUBEXWXDC-UDWIEESQSA-N 0 1 418.449 4.130 40 10 HICBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/C=C/c1ccccc1 ZINC000006258975 560740640 /nfs/dbraw/zinc/74/06/40/560740640.db2.gz FUDCIQFONJAMDA-BHDALRANSA-N 0 1 403.290 4.381 40 10 HICBMN CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21 ZINC000208449605 568445569 /nfs/dbraw/zinc/44/55/69/568445569.db2.gz SFIOJQHHWABASX-CPNJWEJPSA-N 0 1 417.534 4.150 40 10 HICBMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3)C(=O)NC2=S)cc1 ZINC000107732788 569352926 /nfs/dbraw/zinc/35/29/26/569352926.db2.gz PGNMUNANCJCVDK-RCCKNPSSSA-N 0 1 415.518 4.179 40 10 HICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1Cl ZINC000408779133 560640773 /nfs/dbraw/zinc/64/07/73/560640773.db2.gz AEXBPAWLNMPBDM-LFIBNONCSA-N 0 1 414.914 4.132 40 10 HICBMN CN1CCN(c2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000216926756 568469333 /nfs/dbraw/zinc/46/93/33/568469333.db2.gz MDXTYMYPOTVBOS-WEVVVXLNSA-N 0 1 404.341 4.075 40 10 HICBMN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000217029053 568470306 /nfs/dbraw/zinc/47/03/06/568470306.db2.gz WHHDUDFWGMFQCM-OAQYLSRUSA-N 0 1 418.006 4.279 40 10 HICBMN CN1CCN(c2ccc(CNC(=O)c3ccccc3CCc3ccccc3)cc2)CC1 ZINC000219008475 568485893 /nfs/dbraw/zinc/48/58/93/568485893.db2.gz ZFFBUZULKMRBQF-UHFFFAOYSA-N 0 1 413.565 4.154 40 10 HICBMN CCCCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000108109618 569353394 /nfs/dbraw/zinc/35/33/94/569353394.db2.gz CMRKPHQQTSESTR-JXAWBTAJSA-N 0 1 424.522 4.096 40 10 HICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000033659109 569360293 /nfs/dbraw/zinc/36/02/93/569360293.db2.gz RAMGKXABKMJZTP-RQNDZEIBSA-N 0 1 414.889 4.377 40 10 HICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OC(C)(C)C ZINC000035387636 569360840 /nfs/dbraw/zinc/36/08/40/569360840.db2.gz MLOZTADQPKMAEV-RGEXLXHISA-N 0 1 406.482 4.062 40 10 HICBMN CC(C)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000408598866 557509494 /nfs/dbraw/zinc/50/94/94/557509494.db2.gz BYNPPYNMFVHYRJ-MHWRWJLKSA-N 0 1 418.565 4.329 40 10 HICBMN COc1cc(F)c(Oc2ccccc2)cc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O ZINC000408694204 557709343 /nfs/dbraw/zinc/70/93/43/557709343.db2.gz FPLZXKNNEKOXIQ-GZTJUZNOSA-N 0 1 424.428 4.031 40 10 HICBMN COc1cccc(-c2nc3c(s2)CN(Cc2ccc(N4CCOCC4)cc2)CC3)c1 ZINC000019719766 558258217 /nfs/dbraw/zinc/25/82/17/558258217.db2.gz PRFAMHVLYNYVDY-UHFFFAOYSA-N 0 1 421.566 4.214 40 10 HICBMN Cc1cccc(C)c1-n1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1 ZINC000016362432 558788109 /nfs/dbraw/zinc/78/81/09/558788109.db2.gz SXRMNBUYZNDYAF-SFQUDFHCSA-N 0 1 419.481 4.065 40 10 HICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1C1CCCC1 ZINC000408784627 560641361 /nfs/dbraw/zinc/64/13/61/560641361.db2.gz VHDDDBZBEWZHBB-DEDYPNTBSA-N 0 1 407.539 4.360 40 10 HICBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409104585 560675587 /nfs/dbraw/zinc/67/55/87/560675587.db2.gz FWXURCLLUYBZHJ-LFIBNONCSA-N 0 1 414.914 4.187 40 10 HICBMN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409351412 560713935 /nfs/dbraw/zinc/71/39/35/560713935.db2.gz UPRSOIUSDSGVHV-MHWRWJLKSA-N 0 1 416.480 4.413 40 10 HICBMN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1 ZINC000112290844 560778195 /nfs/dbraw/zinc/77/81/95/560778195.db2.gz CGDWIQHSQZSNCB-ODLFYWEKSA-N 0 1 419.815 4.270 40 10 HICBMN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000219355839 568490478 /nfs/dbraw/zinc/49/04/78/568490478.db2.gz KNCCXHISKCQSPV-RUZDIDTESA-N 0 1 417.553 4.065 40 10 HICBMN Cc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NN(c2ccc(F)c(Cl)c2)C1=O ZINC000226095613 568785093 /nfs/dbraw/zinc/78/50/93/568785093.db2.gz USAAJBBFORLQDN-LDADJPATSA-N 0 1 413.880 4.239 40 10 HICBMN CCCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408869576 560648861 /nfs/dbraw/zinc/64/88/61/560648861.db2.gz SGBLCGYTFJHKML-HKWRFOASSA-N 0 1 416.502 4.460 40 10 HICBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000408917662 560653476 /nfs/dbraw/zinc/65/34/76/560653476.db2.gz ZNJIWHZJUCKFJM-ZHZULCJRSA-N 0 1 402.450 4.324 40 10 HICBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1 ZINC000409240957 560699541 /nfs/dbraw/zinc/69/95/41/560699541.db2.gz MJFPVXCGYMABAT-GHRIWEEISA-N 0 1 421.909 4.270 40 10 HICBMN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc([N+](=O)[O-])c1O ZINC000409329206 560709963 /nfs/dbraw/zinc/70/99/63/560709963.db2.gz CAMOSMGGMJQQPI-YBEGLDIGSA-N 0 1 416.480 4.413 40 10 HICBMN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000409329720 560710123 /nfs/dbraw/zinc/71/01/23/560710123.db2.gz HQSZXSKFCBKHLV-FOWTUZBSSA-N 0 1 417.581 4.141 40 10 HICBMN Cc1c(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc2n1C ZINC000409334169 560710719 /nfs/dbraw/zinc/71/07/19/560710719.db2.gz UTVDYGBUAURJLE-YBEGLDIGSA-N 0 1 413.549 4.094 40 10 HICBMN COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[nH]n(-c2ccc(C)c(Cl)c2)c1=O ZINC000408531753 557307539 /nfs/dbraw/zinc/30/75/39/557307539.db2.gz LLYWPADETRUFLV-GDNBJRDFSA-N 0 1 400.822 4.284 40 10 HICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000408695768 557710078 /nfs/dbraw/zinc/71/00/78/557710078.db2.gz YWOFAYRAVCWEME-LFIBNONCSA-N 0 1 418.371 4.370 40 10 HICBMN Cc1ccnc(NS(=O)(=O)c2ccc(NN=C3C=CC(=O)c4ncccc43)cc2)n1 ZINC000104090613 559157868 /nfs/dbraw/zinc/15/78/68/559157868.db2.gz PIODDWPPYJEJGP-IZHYLOQSSA-N 0 1 420.454 4.255 40 10 HICBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)c1C ZINC000408961023 560658074 /nfs/dbraw/zinc/65/80/74/560658074.db2.gz PVGMNTCZWMNFMM-XSFVSMFZSA-N 0 1 419.550 4.043 40 10 HICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)c(C)c1 ZINC000408962245 560658434 /nfs/dbraw/zinc/65/84/34/560658434.db2.gz XPFKHAQQDJVJFM-XSFVSMFZSA-N 0 1 419.550 4.043 40 10 HICBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)c1 ZINC000408962556 560658531 /nfs/dbraw/zinc/65/85/31/560658531.db2.gz ZBPFWWTULIPUQQ-KGENOOAVSA-N 0 1 419.550 4.043 40 10 HICBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C(=O)NC2=S)c1 ZINC000409020373 560667503 /nfs/dbraw/zinc/66/75/03/560667503.db2.gz OQJCJZKADCJRNY-DEDYPNTBSA-N 0 1 419.481 4.065 40 10 HICBMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C ZINC000409076153 560672964 /nfs/dbraw/zinc/67/29/64/560672964.db2.gz YSUOQRXQJOLVMQ-RIYZIHGNSA-N 0 1 422.337 4.263 40 10 HICBMN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409229924 560698139 /nfs/dbraw/zinc/69/81/39/560698139.db2.gz ACJYVKSPADBPEN-GZTJUZNOSA-N 0 1 414.914 4.303 40 10 HICBMN CC(C)Oc1ccccc1/C=C1\SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409339574 560710983 /nfs/dbraw/zinc/71/09/83/560710983.db2.gz WLDKTCNRDZGOKR-GDNBJRDFSA-N 0 1 404.538 4.082 40 10 HICBMN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000409344383 560712123 /nfs/dbraw/zinc/71/21/23/560712123.db2.gz JGNJEHFANJRUQY-IEMQHYRPSA-N 0 1 418.565 4.472 40 10 HICBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cccc(Br)c1 ZINC000059135878 568701237 /nfs/dbraw/zinc/70/12/37/568701237.db2.gz CYZMSTZWGUTRLO-FMIVXFBMSA-N 0 1 405.248 4.260 40 10 HICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@H](C)CC ZINC000108277100 569361180 /nfs/dbraw/zinc/36/11/80/569361180.db2.gz ARPXSBFYMBGDQV-ZHTGWBIJSA-N 0 1 406.482 4.062 40 10 HICBMN