smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cccc(C(C)C)c1NC(=O)C([O-])=C(c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000001636866 194130048 /nfs/dbraw/zinc/13/00/48/194130048.db2.gz WPXRMPGLQFDXTC-SANMLTNESA-N -1 1 463.599 5.236 40 0 JKABMM O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)ccc21 ZINC000020765707 195221077 /nfs/dbraw/zinc/22/10/77/195221077.db2.gz LOHAIYZTIOUCOR-UHFFFAOYSA-N -1 1 461.370 5.387 40 0 JKABMM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc21 ZINC000020766835 195222128 /nfs/dbraw/zinc/22/21/28/195222128.db2.gz OERLYYWIDKQEHL-UHFFFAOYSA-N -1 1 479.360 5.526 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1Cl ZINC000020766823 195222207 /nfs/dbraw/zinc/22/22/07/195222207.db2.gz LPHGKVUBWQHBOY-UHFFFAOYSA-N -1 1 458.942 5.181 40 0 JKABMM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21 ZINC000020767170 195222405 /nfs/dbraw/zinc/22/24/05/195222405.db2.gz RZACXVIPRBPKSY-UHFFFAOYSA-N -1 1 461.370 5.387 40 0 JKABMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767134 195222499 /nfs/dbraw/zinc/22/24/99/195222499.db2.gz RULMUGLCKUXXLA-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000021305695 195293773 /nfs/dbraw/zinc/29/37/73/195293773.db2.gz LITPOBOVXSDFRK-UHFFFAOYSA-N -1 1 479.385 5.834 40 0 JKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(C)c1 ZINC000021306461 195294007 /nfs/dbraw/zinc/29/40/07/195294007.db2.gz WYQRQTNYWZPSKD-MRXNPFEDSA-N -1 1 493.412 5.817 40 0 JKABMM O=C1[N-]C(=S)SC1=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000058822130 195380410 /nfs/dbraw/zinc/38/04/10/195380410.db2.gz MIOBTNOBDJVJJL-UUASQNMZSA-N -1 1 475.216 6.664 40 0 JKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)N4CCCCC4)c3)ccc21 ZINC000408635671 195485945 /nfs/dbraw/zinc/48/59/45/195485945.db2.gz GYZBKSVMJAFZGY-UHFFFAOYSA-N -1 1 475.614 5.550 40 0 JKABMM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)ccc1Cl ZINC000020488483 521440658 /nfs/dbraw/zinc/44/06/58/521440658.db2.gz SSGIKMFAPFMFFP-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CCOC(=O)c1cc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)ccc1Cl ZINC000044884143 521441479 /nfs/dbraw/zinc/44/14/79/521441479.db2.gz WHMWNLYIORRMCI-UHFFFAOYSA-N -1 1 493.368 5.223 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c(Cl)c1 ZINC000020460993 521513335 /nfs/dbraw/zinc/51/33/35/521513335.db2.gz XBWDOULXGMYAMG-UHFFFAOYSA-N -1 1 493.368 5.223 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1Cl ZINC000044839561 521515089 /nfs/dbraw/zinc/51/50/89/521515089.db2.gz WCMTWUMISMIWSF-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000044902642 521924648 /nfs/dbraw/zinc/92/46/48/521924648.db2.gz MVSOZDILGZCDTF-KRWDZBQOSA-N -1 1 472.994 5.418 40 0 JKABMM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020487150 521925295 /nfs/dbraw/zinc/92/52/95/521925295.db2.gz JQMIUEQODFZHNA-LJQANCHMSA-N -1 1 452.576 5.073 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccc(C)cc1 ZINC000022530654 522530939 /nfs/dbraw/zinc/53/09/39/522530939.db2.gz VNZUFGZSIIAQET-QHCPKHFHSA-N -1 1 450.604 5.602 40 0 JKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000030850223 522866757 /nfs/dbraw/zinc/86/67/57/522866757.db2.gz NGCFNFOFIWJSBL-DEOSSOPVSA-N -1 1 466.603 5.517 40 0 JKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000022521762 522878022 /nfs/dbraw/zinc/87/80/22/522878022.db2.gz OIIKURTXVOOXSX-VWLOTQADSA-N -1 1 460.555 5.437 40 0 JKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000044886060 522878971 /nfs/dbraw/zinc/87/89/71/522878971.db2.gz HLGWHVJAWZWKIY-VWLOTQADSA-N -1 1 495.000 6.090 40 0 JKABMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020481437 522881251 /nfs/dbraw/zinc/88/12/51/522881251.db2.gz RZOSJOPWOJFBAM-SANMLTNESA-N -1 1 474.582 5.745 40 0 JKABMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044900099 522882050 /nfs/dbraw/zinc/88/20/50/522882050.db2.gz AEDRVYZGGGOJHF-QFIPXVFZSA-N -1 1 458.967 5.245 40 0 JKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000022521898 522885156 /nfs/dbraw/zinc/88/51/56/522885156.db2.gz IPPXIBABDMYJBA-QHCPKHFHSA-N -1 1 487.021 5.862 40 0 JKABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020484621 522886293 /nfs/dbraw/zinc/88/62/93/522886293.db2.gz QJFPSAWEKUGVFC-QHCPKHFHSA-N -1 1 488.993 5.254 40 0 JKABMM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000020452075 522888434 /nfs/dbraw/zinc/88/84/34/522888434.db2.gz HXUOKLPVUZOQKF-VWLOTQADSA-N -1 1 474.582 5.745 40 0 JKABMM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000022524718 522894955 /nfs/dbraw/zinc/89/49/55/522894955.db2.gz UVPBAFJCURVYQS-NRFANRHFSA-N -1 1 458.967 5.245 40 0 JKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000022517546 522920212 /nfs/dbraw/zinc/92/02/12/522920212.db2.gz GBCFIODHCMTKJO-NRFANRHFSA-N -1 1 461.008 5.650 40 0 JKABMM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000022526517 523041592 /nfs/dbraw/zinc/04/15/92/523041592.db2.gz VWBIDMNCJJHOHR-OAQYLSRUSA-N -1 1 462.930 5.076 40 0 JKABMM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020494434 523042962 /nfs/dbraw/zinc/04/29/62/523042962.db2.gz NUXLSJANMCRONF-OAQYLSRUSA-N -1 1 496.482 5.441 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000022532028 523048736 /nfs/dbraw/zinc/04/87/36/523048736.db2.gz ANEMBQSJUQWWJQ-HSZRJFAPSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000022521891 523050374 /nfs/dbraw/zinc/05/03/74/523050374.db2.gz IPPXIBABDMYJBA-HSZRJFAPSA-N -1 1 487.021 5.862 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020488376 523050770 /nfs/dbraw/zinc/05/07/70/523050770.db2.gz VNQYOSFJEZFIJW-JOCHJYFZSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000022531338 523059485 /nfs/dbraw/zinc/05/94/85/523059485.db2.gz AMADAFZMCZHXTH-JOCHJYFZSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000022517541 523081754 /nfs/dbraw/zinc/08/17/54/523081754.db2.gz GBCFIODHCMTKJO-OAQYLSRUSA-N -1 1 461.008 5.650 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)c1 ZINC000044880996 524160340 /nfs/dbraw/zinc/16/03/40/524160340.db2.gz WFHOGAMKGSULPM-FQEVSTJZSA-N -1 1 466.603 5.634 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)cc2)c1 ZINC000020492739 524161288 /nfs/dbraw/zinc/16/12/88/524161288.db2.gz GMZZYQRCNAVLFB-NRFANRHFSA-N -1 1 466.603 5.436 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)cc2)c1 ZINC000020492738 524161308 /nfs/dbraw/zinc/16/13/08/524161308.db2.gz GMZZYQRCNAVLFB-OAQYLSRUSA-N -1 1 466.603 5.436 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)c1 ZINC000020493020 524161406 /nfs/dbraw/zinc/16/14/06/524161406.db2.gz FABHJERAHZMMOW-VWLOTQADSA-N -1 1 464.631 5.930 40 0 JKABMM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1 ZINC000022531225 524252127 /nfs/dbraw/zinc/25/21/27/524252127.db2.gz KOLVJNXHZBJKEZ-LJQANCHMSA-N -1 1 487.021 5.780 40 0 JKABMM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 ZINC000020493605 524692475 /nfs/dbraw/zinc/69/24/75/524692475.db2.gz SOTTYXYDTPJVBF-UHFFFAOYSA-N -1 1 494.594 5.389 40 0 JKABMM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)c1ccc(F)cc1 ZINC000022537546 524970198 /nfs/dbraw/zinc/97/01/98/524970198.db2.gz NZLSXHBAMQESEJ-AWEZNQCLSA-N -1 1 497.375 5.190 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl ZINC000044901942 525087857 /nfs/dbraw/zinc/08/78/57/525087857.db2.gz JOGCBYIPOIBIIB-UHFFFAOYSA-N -1 1 472.994 5.699 40 0 JKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000044905155 525103026 /nfs/dbraw/zinc/10/30/26/525103026.db2.gz IRDUAGFNDOVKNO-UHFFFAOYSA-N -1 1 496.532 5.246 40 0 JKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000020453485 525103064 /nfs/dbraw/zinc/10/30/64/525103064.db2.gz UFCGHYXIMOSLOB-UHFFFAOYSA-N -1 1 477.007 5.189 40 0 JKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000022510727 525108951 /nfs/dbraw/zinc/10/89/51/525108951.db2.gz HVDCKTQGVIJHKS-SFHVURJKSA-N -1 1 470.616 5.232 40 0 JKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000020488547 525110305 /nfs/dbraw/zinc/11/03/05/525110305.db2.gz OMFCGTVQMVNGSA-INIZCTEOSA-N -1 1 491.034 5.577 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000044949891 525175016 /nfs/dbraw/zinc/17/50/16/525175016.db2.gz SQZPNFVRUNDIMU-XMMPIXPASA-N -1 1 487.021 5.667 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000044949887 525348246 /nfs/dbraw/zinc/34/82/46/525348246.db2.gz SQZPNFVRUNDIMU-DEOSSOPVSA-N -1 1 487.021 5.667 40 0 JKABMM Cc1ccccc1[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000020487761 525372859 /nfs/dbraw/zinc/37/28/59/525372859.db2.gz PUWOOCHKSHIYDJ-MHZLTWQESA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccccc1[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000020487764 525427025 /nfs/dbraw/zinc/42/70/25/525427025.db2.gz PUWOOCHKSHIYDJ-HHHXNRCGSA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccccc1[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1 ZINC000044900674 525427564 /nfs/dbraw/zinc/42/75/64/525427564.db2.gz XJUCAILAGKVINF-HHHXNRCGSA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)c(Cl)c2)cc1 ZINC000020454845 525599402 /nfs/dbraw/zinc/59/94/02/525599402.db2.gz LSJLWXVVUDCOFD-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3C)c(Cl)c2)cc1 ZINC000044903349 525599569 /nfs/dbraw/zinc/59/95/69/525599569.db2.gz IXEHOFSOJWAIPJ-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)c(Cl)c2)cc1 ZINC000020462166 525599946 /nfs/dbraw/zinc/59/99/46/525599946.db2.gz UJJKUODDFUANEX-DEOSSOPVSA-N -1 1 471.022 5.966 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(OC(C)C)cc3)c(Cl)c2)cc1 ZINC000044902888 525600485 /nfs/dbraw/zinc/60/04/85/525600485.db2.gz JUDHAEVWISCZMO-UHFFFAOYSA-N -1 1 458.967 5.489 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3F)c(Cl)c2)cc1 ZINC000020452952 525600817 /nfs/dbraw/zinc/60/08/17/525600817.db2.gz YXWHBSBWHXQEDL-UHFFFAOYSA-N -1 1 493.025 5.252 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)c(Cl)c2)cc1 ZINC000020492433 525601492 /nfs/dbraw/zinc/60/14/92/525601492.db2.gz XMNMMSVRQZVMKB-GOSISDBHSA-N -1 1 456.995 5.557 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc2C)cc1 ZINC000020489911 525601605 /nfs/dbraw/zinc/60/16/05/525601605.db2.gz WROHESRYQDPEJU-VWLOTQADSA-N -1 1 450.604 5.621 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC(c3ccccc3)c3ccccc3)c2)cc1 ZINC000020490553 525602732 /nfs/dbraw/zinc/60/27/32/525602732.db2.gz KVKCFVXCVWXMRS-UHFFFAOYSA-N -1 1 491.012 5.969 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(F)(F)F)c(Cl)c2)cc1 ZINC000044883804 525604038 /nfs/dbraw/zinc/60/40/38/525604038.db2.gz AKEPRYMOQLVSQO-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](CC(C)C)c3ccccc3)c2C)cc1 ZINC000030755643 525611787 /nfs/dbraw/zinc/61/17/87/525611787.db2.gz MNHFCNGPNCSXKJ-RUZDIDTESA-N -1 1 450.604 5.621 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)c2)cc1 ZINC000020482319 525613421 /nfs/dbraw/zinc/61/34/21/525613421.db2.gz LQCJOWCGXRWNNN-MHZLTWQESA-N -1 1 470.594 5.624 40 0 JKABMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020492961 525941176 /nfs/dbraw/zinc/94/11/76/525941176.db2.gz LGRPFUPBASQWMC-CQSZACIVSA-N -1 1 465.358 5.200 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c2ccccc2)cc1 ZINC000022522491 525968794 /nfs/dbraw/zinc/96/87/94/525968794.db2.gz WQPKTEUMJWLMQY-AREMUKBSSA-N -1 1 491.012 5.969 40 0 JKABMM Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000020492608 526198184 /nfs/dbraw/zinc/19/81/84/526198184.db2.gz HZRTZAKGLVSCBQ-MHZLTWQESA-N -1 1 470.594 5.624 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(Br)cc4)cc3[O-])oc2cc1C ZINC000001053134 553901757 /nfs/dbraw/zinc/90/17/57/553901757.db2.gz YSYLGJANTGPFFS-UHFFFAOYSA-N -1 1 467.319 5.597 40 0 JKABMM O=C1CCCc2oc3c(cc([N-]S(=O)(=O)c4ccc5ccccc5c4)cc3Br)c21 ZINC000001405383 553966284 /nfs/dbraw/zinc/96/62/84/553966284.db2.gz ZMDILJFQXHIQHP-UHFFFAOYSA-N -1 1 470.344 5.668 40 0 JKABMM Cc1ccc(-c2c([O-])c(Br)c(-c3ccc(C)cc3C)c(O)c2Br)c(C)c1 ZINC000001610401 553980480 /nfs/dbraw/zinc/98/04/80/553980480.db2.gz CMAWHUCUODUXKV-UHFFFAOYSA-N -1 1 476.208 7.190 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000002710474 554297040 /nfs/dbraw/zinc/29/70/40/554297040.db2.gz IWAIFRCPCCILBR-UHFFFAOYSA-N -1 1 462.571 5.533 40 0 JKABMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@H](C(C)(C)C)C4)c(C)c1 ZINC000008766430 554666918 /nfs/dbraw/zinc/66/69/18/554666918.db2.gz LAZSBFWKBREQBZ-FQEVSTJZSA-N -1 1 475.654 7.463 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1F)c1ccc(Cl)cc1 ZINC000008810063 554689126 /nfs/dbraw/zinc/68/91/26/554689126.db2.gz MHZRLNFTSNVGRS-UHFFFAOYSA-N -1 1 483.746 5.295 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1F)c1ccc(Cl)cc1 ZINC000008810081 554689132 /nfs/dbraw/zinc/68/91/32/554689132.db2.gz KQKKQTZEEPOKSZ-UHFFFAOYSA-N -1 1 472.847 5.551 40 0 JKABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1Cl ZINC000008810098 554689398 /nfs/dbraw/zinc/68/93/98/554689398.db2.gz KIBCDMSGKLUSBS-UHFFFAOYSA-N -1 1 469.321 5.194 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1Cl ZINC000008810226 554689679 /nfs/dbraw/zinc/68/96/79/554689679.db2.gz MAGAIYVNTHDQPV-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM CSc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 ZINC000008810258 554690000 /nfs/dbraw/zinc/69/00/00/554690000.db2.gz ZGPJQQHLVOOXER-UHFFFAOYSA-N -1 1 450.944 5.254 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1F)c1ccccc1Cl ZINC000008810396 554690116 /nfs/dbraw/zinc/69/01/16/554690116.db2.gz DPBUUPYPPLGMTI-UHFFFAOYSA-N -1 1 457.285 5.325 40 0 JKABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1Cl ZINC000008810416 554690184 /nfs/dbraw/zinc/69/01/84/554690184.db2.gz QWZRAVDBPQELFH-UHFFFAOYSA-N -1 1 469.321 5.194 40 0 JKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810460 554690432 /nfs/dbraw/zinc/69/04/32/554690432.db2.gz APZXKXOFQCZXAN-UHFFFAOYSA-N -1 1 460.958 5.657 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1C ZINC000008810519 554690467 /nfs/dbraw/zinc/69/04/67/554690467.db2.gz RNFGAEYSPGVHTB-UHFFFAOYSA-N -1 1 467.349 5.802 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000008810538 554690688 /nfs/dbraw/zinc/69/06/88/554690688.db2.gz QLAXONIDFLLPNQ-UHFFFAOYSA-N -1 1 487.767 6.147 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1F)c1ccccc1F ZINC000008810689 554691183 /nfs/dbraw/zinc/69/11/83/554691183.db2.gz IUMBPCRHRGYTHV-UHFFFAOYSA-N -1 1 456.392 5.037 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1F)c1ccccc1F ZINC000008810691 554691231 /nfs/dbraw/zinc/69/12/31/554691231.db2.gz HFQKZAQPXFCMSU-UHFFFAOYSA-N -1 1 490.837 5.690 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1F)c1ccc(F)cc1 ZINC000008810854 554691480 /nfs/dbraw/zinc/69/14/80/554691480.db2.gz MPWFKSKSNRCQBN-UHFFFAOYSA-N -1 1 456.392 5.037 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1F)c1ccc(F)cc1 ZINC000008810864 554691520 /nfs/dbraw/zinc/69/15/20/554691520.db2.gz KAULJEMMOITDFZ-UHFFFAOYSA-N -1 1 480.492 5.810 40 0 JKABMM CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)c1 ZINC000008833337 554730779 /nfs/dbraw/zinc/73/07/79/554730779.db2.gz ACFXQVRIMWDTEX-UHFFFAOYSA-N -1 1 475.570 5.733 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4Cl)cc3[O-])oc2c1 ZINC000008833326 554730783 /nfs/dbraw/zinc/73/07/83/554730783.db2.gz OZLIHKRUMZSLOR-RUDMXATFSA-N -1 1 498.391 6.342 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)cc3[O-])oc2c(C)c1 ZINC000008833330 554730839 /nfs/dbraw/zinc/73/08/39/554730839.db2.gz ISJGIBMZGXCENZ-UHFFFAOYSA-N -1 1 486.380 6.251 40 0 JKABMM COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1Cl ZINC000008833333 554730878 /nfs/dbraw/zinc/73/08/78/554730878.db2.gz RIGUCRFJIGSGDU-UHFFFAOYSA-N -1 1 481.961 5.606 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)cc3[O-])nc2c1 ZINC000008833354 554731015 /nfs/dbraw/zinc/73/10/15/554731015.db2.gz XHNPQCBEMSPBFO-UHFFFAOYSA-N -1 1 475.570 5.677 40 0 JKABMM O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000008835151 554733462 /nfs/dbraw/zinc/73/34/62/554733462.db2.gz UFESBXHYDZNKFE-UHFFFAOYSA-N -1 1 492.771 6.287 40 0 JKABMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc2c4c(cccc41)C(=O)N2)C(=O)CC(C)(C)C3 ZINC000008870470 554765630 /nfs/dbraw/zinc/76/56/30/554765630.db2.gz WCKQGOLUBHUFCH-UHFFFAOYSA-N -1 1 474.538 5.416 40 0 JKABMM [O-]c1cc(Br)ccc1-c1nc2sc(-c3ccc(Br)cc3O)nc2s1 ZINC000008893371 554782226 /nfs/dbraw/zinc/78/22/26/554782226.db2.gz LUOZRVKSOMJVBN-UHFFFAOYSA-N -1 1 484.194 6.023 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3[O-])oc2c(C)c1 ZINC000009064868 554884086 /nfs/dbraw/zinc/88/40/86/554884086.db2.gz LUJSNNWDGGMRHU-UHFFFAOYSA-N -1 1 451.935 5.597 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc5ccccc54)cc3[O-])nc2c1 ZINC000009064884 554884100 /nfs/dbraw/zinc/88/41/00/554884100.db2.gz KXGVKFCBCHHLLA-UHFFFAOYSA-N -1 1 467.550 6.043 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc5ccccc54)cc3[O-])oc2c1 ZINC000009064860 554884131 /nfs/dbraw/zinc/88/41/31/554884131.db2.gz ROYXBRQONZWAQM-UHFFFAOYSA-N -1 1 453.523 5.789 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3[O-])nc2c1 ZINC000009064883 554884150 /nfs/dbraw/zinc/88/41/50/554884150.db2.gz MWWDJTNMUYAIAE-UHFFFAOYSA-N -1 1 457.511 5.636 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3[O-])nc2c1 ZINC000009064878 554884167 /nfs/dbraw/zinc/88/41/67/554884167.db2.gz AFKJVSFCLMLSCT-UHFFFAOYSA-N -1 1 451.935 5.543 40 0 JKABMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000009142356 554935454 /nfs/dbraw/zinc/93/54/54/554935454.db2.gz VFICRECUYPGPGB-UHFFFAOYSA-N -1 1 469.006 6.049 40 0 JKABMM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000009455453 555225661 /nfs/dbraw/zinc/22/56/61/555225661.db2.gz MCHXRCKPXYDWTL-VXNXHJTFSA-N -1 1 469.928 5.248 40 0 JKABMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccc(I)cc1 ZINC000013602421 555530359 /nfs/dbraw/zinc/53/03/59/555530359.db2.gz ZUEZYFCAZOTQLX-UHFFFAOYSA-N -1 1 472.307 5.526 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000013613526 555535328 /nfs/dbraw/zinc/53/53/28/555535328.db2.gz CQMORLQEOMBXES-HXUWFJFHSA-N -1 1 464.631 5.893 40 0 JKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000019931444 555548759 /nfs/dbraw/zinc/54/87/59/555548759.db2.gz YCZVLHNXWVTIHB-DEOSSOPVSA-N -1 1 452.576 5.209 40 0 JKABMM CCOC(=O)c1ccc(C)c(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000019931484 555548802 /nfs/dbraw/zinc/54/88/02/555548802.db2.gz RKQRWUGFOFEJSQ-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000019931442 555548882 /nfs/dbraw/zinc/54/88/82/555548882.db2.gz YCZVLHNXWVTIHB-XMMPIXPASA-N -1 1 452.576 5.209 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000019931845 555549361 /nfs/dbraw/zinc/54/93/61/555549361.db2.gz HIJDLJFFTWZJOO-UHFFFAOYSA-N -1 1 497.620 5.693 40 0 JKABMM COc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c(OC)cc1Cl ZINC000019931803 555549431 /nfs/dbraw/zinc/54/94/31/555549431.db2.gz HKKDLFGBGCWULN-UHFFFAOYSA-N -1 1 481.357 5.064 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013648740 555553259 /nfs/dbraw/zinc/55/32/59/555553259.db2.gz DYFMUDZQCMRPDZ-IBGZPJMESA-N -1 1 450.604 5.584 40 0 JKABMM Cc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000013670269 555560775 /nfs/dbraw/zinc/56/07/75/555560775.db2.gz OXRVSQVOLUNQBG-UHFFFAOYSA-N -1 1 450.604 5.084 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c(C)c1 ZINC000013672186 555563868 /nfs/dbraw/zinc/56/38/68/555563868.db2.gz HONOJBFQOMQJTR-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM Cc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000013672989 555564579 /nfs/dbraw/zinc/56/45/79/555564579.db2.gz ZHLGABKPGSDDKI-UHFFFAOYSA-N -1 1 450.604 5.084 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c(C)c1 ZINC000013673655 555565166 /nfs/dbraw/zinc/56/51/66/555565166.db2.gz JGFIZGWLKHKELV-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3F)ccc2C)c(C)c1 ZINC000013674932 555565961 /nfs/dbraw/zinc/56/59/61/555565961.db2.gz PYTBMDLRDCAWFK-UHFFFAOYSA-N -1 1 486.634 5.215 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c1C ZINC000013675303 555566288 /nfs/dbraw/zinc/56/62/88/555566288.db2.gz IXJGGCGAXDMLAJ-OAQYLSRUSA-N -1 1 478.658 6.201 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)cc1 ZINC000013676188 555567259 /nfs/dbraw/zinc/56/72/59/555567259.db2.gz HKGRXOXCJBYXGG-UHFFFAOYSA-N -1 1 450.560 5.370 40 0 JKABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)c(C)c1 ZINC000013679453 555571315 /nfs/dbraw/zinc/57/13/15/555571315.db2.gz GCQHCTVFVASTAO-UHFFFAOYSA-N -1 1 499.441 5.353 40 0 JKABMM CCn1c2ccccc2c2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)ccc21 ZINC000013679492 555571373 /nfs/dbraw/zinc/57/13/73/555571373.db2.gz LFGOEUINOYYENO-UHFFFAOYSA-N -1 1 483.593 6.176 40 0 JKABMM O=C(Sc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000019958661 555572467 /nfs/dbraw/zinc/57/24/67/555572467.db2.gz GSBMPEIDXDHDQD-UHFFFAOYSA-N -1 1 470.575 5.995 40 0 JKABMM CCn1c2ccccc2c2cc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)ccc21 ZINC000013680676 555573174 /nfs/dbraw/zinc/57/31/74/555573174.db2.gz XZKZNPZZFBBPRP-UHFFFAOYSA-N -1 1 483.593 6.176 40 0 JKABMM Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013681146 555574036 /nfs/dbraw/zinc/57/40/36/555574036.db2.gz YZCLBCLYAQHGAU-UHFFFAOYSA-N -1 1 491.613 5.064 40 0 JKABMM CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3[O-])nc2c1 ZINC000010003849 555590945 /nfs/dbraw/zinc/59/09/45/555590945.db2.gz YRJCCQKNBRZAJC-AWEZNQCLSA-N -1 1 489.553 5.569 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)cc1 ZINC000020024337 555602324 /nfs/dbraw/zinc/60/23/24/555602324.db2.gz ZAHGCHFKKSOTDS-UHFFFAOYSA-N -1 1 480.483 5.525 40 0 JKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1OC ZINC000010039355 555604736 /nfs/dbraw/zinc/60/47/36/555604736.db2.gz YKCVCXGKDCAVEP-AWNIVKPZSA-N -1 1 486.977 5.118 40 0 JKABMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020034813 555609446 /nfs/dbraw/zinc/60/94/46/555609446.db2.gz PSNUYKJWZHFAJG-JOCHJYFZSA-N -1 1 472.994 5.554 40 0 JKABMM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1OC ZINC000020035315 555609944 /nfs/dbraw/zinc/60/99/44/555609944.db2.gz BCWJHGCRSACPBM-UHFFFAOYSA-N -1 1 490.581 5.229 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSCc3ccccc3F)c2)cc1 ZINC000020036485 555610839 /nfs/dbraw/zinc/61/08/39/555610839.db2.gz YDVDWBPHVYIURE-UHFFFAOYSA-N -1 1 493.025 5.252 40 0 JKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000020043990 555615354 /nfs/dbraw/zinc/61/53/54/555615354.db2.gz YWLHPKKBFWDNHW-UHFFFAOYSA-N -1 1 498.557 5.220 40 0 JKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020044742 555615961 /nfs/dbraw/zinc/61/59/61/555615961.db2.gz MXIUQCDQNDRJAG-QHCPKHFHSA-N -1 1 487.021 5.862 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)c(Cl)c2)cc1 ZINC000020045930 555616594 /nfs/dbraw/zinc/61/65/94/555616594.db2.gz CSKQNPQARPLLSM-GOSISDBHSA-N -1 1 485.049 6.238 40 0 JKABMM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013776804 555616667 /nfs/dbraw/zinc/61/66/67/555616667.db2.gz TWAUFHMPHXIOKH-QKDODKLFSA-N -1 1 486.568 5.234 40 0 JKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000020046965 555617186 /nfs/dbraw/zinc/61/71/86/555617186.db2.gz HBONLEHZPTWLGM-AREMUKBSSA-N -1 1 474.582 5.745 40 0 JKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020048023 555618287 /nfs/dbraw/zinc/61/82/87/555618287.db2.gz ABWJTHMVUJJRHD-DEOSSOPVSA-N -1 1 487.021 5.862 40 0 JKABMM CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000010110997 555621561 /nfs/dbraw/zinc/62/15/61/555621561.db2.gz KJPOGCFTTPXKBE-UHFFFAOYSA-N -1 1 480.630 5.174 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)cc1 ZINC000010112028 555624139 /nfs/dbraw/zinc/62/41/39/555624139.db2.gz FWSJCHVIRODFIH-HXUWFJFHSA-N -1 1 464.631 5.893 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c(C)c1 ZINC000010112015 555624160 /nfs/dbraw/zinc/62/41/60/555624160.db2.gz DOOHZSCYCGLHEK-NRFANRHFSA-N -1 1 478.658 6.201 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3F)ccc2C)c1C ZINC000010112057 555624172 /nfs/dbraw/zinc/62/41/72/555624172.db2.gz YPZNDMLUYAOKJM-UHFFFAOYSA-N -1 1 486.634 5.215 40 0 JKABMM Cc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010112030 555624238 /nfs/dbraw/zinc/62/42/38/555624238.db2.gz XVYAQDUIOKZGGE-LJQANCHMSA-N -1 1 450.604 5.584 40 0 JKABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000010112328 555625219 /nfs/dbraw/zinc/62/52/19/555625219.db2.gz NFERIZRTTLRFQF-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)cc1Cl ZINC000020105070 555638017 /nfs/dbraw/zinc/63/80/17/555638017.db2.gz KUVRZTIKGGDGKX-KRWDZBQOSA-N -1 1 458.967 5.164 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)cc1Cl ZINC000020105069 555638057 /nfs/dbraw/zinc/63/80/57/555638057.db2.gz KUVRZTIKGGDGKX-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2C)cc1C ZINC000020105003 555638091 /nfs/dbraw/zinc/63/80/91/555638091.db2.gz GIYIWZHMEPOJOP-UHFFFAOYSA-N -1 1 456.995 5.338 40 0 JKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000020105530 555638991 /nfs/dbraw/zinc/63/89/91/555638991.db2.gz OQXQJWVOEZXIBG-QHCPKHFHSA-N -1 1 452.576 5.209 40 0 JKABMM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020108539 555643484 /nfs/dbraw/zinc/64/34/84/555643484.db2.gz YFCVYCAEEKDJIT-LJQANCHMSA-N -1 1 474.582 5.609 40 0 JKABMM CC(C)C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000020108704 555643798 /nfs/dbraw/zinc/64/37/98/555643798.db2.gz DJCVTLZBWOROII-HSZRJFAPSA-N -1 1 456.995 5.658 40 0 JKABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020110236 555646309 /nfs/dbraw/zinc/64/63/09/555646309.db2.gz OGVSTQIJLXQIBZ-QHCPKHFHSA-N -1 1 488.993 5.254 40 0 JKABMM O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020110887 555647213 /nfs/dbraw/zinc/64/72/13/555647213.db2.gz MVWBIHYEMVFINQ-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314203 555679578 /nfs/dbraw/zinc/67/95/78/555679578.db2.gz BQLRSDQPAPTBBQ-UHFFFAOYSA-N -1 1 472.566 5.627 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(c3ccccc3)c3ccccc3)c2)cc1 ZINC000010314292 555679651 /nfs/dbraw/zinc/67/96/51/555679651.db2.gz XDULYARHJLOLHZ-UHFFFAOYSA-N -1 1 456.567 5.315 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2)cc1 ZINC000010314340 555679812 /nfs/dbraw/zinc/67/98/12/555679812.db2.gz CQVOXRMRSRUJKM-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314412 555679873 /nfs/dbraw/zinc/67/98/73/555679873.db2.gz YIEBBHBLFQWSHI-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM CCCCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010314422 555679922 /nfs/dbraw/zinc/67/99/22/555679922.db2.gz BOZQVPAQEZNEFX-UHFFFAOYSA-N -1 1 466.559 5.005 40 0 JKABMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000010314329 555679927 /nfs/dbraw/zinc/67/99/27/555679927.db2.gz NROKDIFPVULWJQ-UHFFFAOYSA-N -1 1 456.567 5.330 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000010314480 555680188 /nfs/dbraw/zinc/68/01/88/555680188.db2.gz KIAFAGGCJXBSSI-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314528 555680192 /nfs/dbraw/zinc/68/01/92/555680192.db2.gz ATROMWAWHSNTAX-UHFFFAOYSA-N -1 1 458.539 5.840 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSCc3cccc(Cl)c3)ccc2C)cc1 ZINC000010314563 555680227 /nfs/dbraw/zinc/68/02/27/555680227.db2.gz ZVLWVZKHCCKOQZ-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000010314730 555680933 /nfs/dbraw/zinc/68/09/33/555680933.db2.gz KEOFXYWWDZSPPQ-FQEVSTJZSA-N -1 1 499.592 5.231 40 0 JKABMM CCCCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010315126 555681594 /nfs/dbraw/zinc/68/15/94/555681594.db2.gz KEPABPNIPAQACE-UHFFFAOYSA-N -1 1 466.559 5.005 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)cc1 ZINC000010315040 555681646 /nfs/dbraw/zinc/68/16/46/555681646.db2.gz DYQGNSSKTOVVIM-UHFFFAOYSA-N -1 1 482.911 6.029 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000010328457 555686488 /nfs/dbraw/zinc/68/64/88/555686488.db2.gz SKXCRQXBCXCANV-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM Cc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010328362 555686612 /nfs/dbraw/zinc/68/66/12/555686612.db2.gz GRTUBUDTWMDBGO-UHFFFAOYSA-N -1 1 456.567 5.315 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3cccc(Cl)c3)c2)cc1 ZINC000010329874 555687087 /nfs/dbraw/zinc/68/70/87/555687087.db2.gz AKHGWOUJUVUVRQ-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000010331051 555687740 /nfs/dbraw/zinc/68/77/40/555687740.db2.gz BHTLTKFONYZPSL-UHFFFAOYSA-N -1 1 458.583 5.774 40 0 JKABMM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010332242 555688254 /nfs/dbraw/zinc/68/82/54/555688254.db2.gz QYHUIRZTCICEBX-UHFFFAOYSA-N -1 1 454.857 5.412 40 0 JKABMM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000010335340 555690390 /nfs/dbraw/zinc/69/03/90/555690390.db2.gz VFKFMXRXKNWLQF-UHFFFAOYSA-N -1 1 456.995 5.583 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010336434 555691338 /nfs/dbraw/zinc/69/13/38/555691338.db2.gz JOCPMEMOWGZFNL-UHFFFAOYSA-N -1 1 458.539 5.840 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2C)cc1 ZINC000010363078 555697276 /nfs/dbraw/zinc/69/72/76/555697276.db2.gz LATRCWDULQBIQW-UHFFFAOYSA-N -1 1 463.386 5.341 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2)cc1 ZINC000010365218 555697704 /nfs/dbraw/zinc/69/77/04/555697704.db2.gz VIIBOSQMRLDVBN-UHFFFAOYSA-N -1 1 470.594 5.638 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000010365383 555697924 /nfs/dbraw/zinc/69/79/24/555697924.db2.gz IZPQRYYGHDKTRK-UHFFFAOYSA-N -1 1 470.594 5.638 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010368058 555698731 /nfs/dbraw/zinc/69/87/31/555698731.db2.gz GZPPCWMKQIAHNJ-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3cccc(C)c3)c2C)cc1 ZINC000010368396 555698809 /nfs/dbraw/zinc/69/88/09/555698809.db2.gz KDEKPKDXDBZHJH-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2C)cc1 ZINC000010368106 555698812 /nfs/dbraw/zinc/69/88/12/555698812.db2.gz JYIBTSOOGLWYDE-UHFFFAOYSA-N -1 1 482.911 6.029 40 0 JKABMM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000010370675 555699329 /nfs/dbraw/zinc/69/93/29/555699329.db2.gz DVCIFROANSXELA-UHFFFAOYSA-N -1 1 456.995 5.583 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSc3ccc(Cl)cc3)c2C)cc1 ZINC000010370683 555699352 /nfs/dbraw/zinc/69/93/52/555699352.db2.gz QHQJTSKTXJTRQL-UHFFFAOYSA-N -1 1 475.035 5.280 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCC(C)C)ccc2C)c1 ZINC000014153339 555709016 /nfs/dbraw/zinc/70/90/16/555709016.db2.gz IXEUTOKHCCGJLD-UHFFFAOYSA-N -1 1 493.629 5.051 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)cc1 ZINC000014153651 555709960 /nfs/dbraw/zinc/70/99/60/555709960.db2.gz CJYJGNHZVIFIDS-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000014153895 555710283 /nfs/dbraw/zinc/71/02/83/555710283.db2.gz OKINPAKTGVJDDU-UHFFFAOYSA-N -1 1 450.347 5.747 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2C)c1C ZINC000014153827 555710387 /nfs/dbraw/zinc/71/03/87/555710387.db2.gz JUHKYRBEHINSHT-UHFFFAOYSA-N -1 1 450.604 6.097 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)c1 ZINC000014154335 555711212 /nfs/dbraw/zinc/71/12/12/555711212.db2.gz KSUGPKQFUPSBSL-UHFFFAOYSA-N -1 1 496.938 6.337 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)c1 ZINC000014154348 555711633 /nfs/dbraw/zinc/71/16/33/555711633.db2.gz NSXQGMSSKBKZJF-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)c1C ZINC000014154646 555712269 /nfs/dbraw/zinc/71/22/69/555712269.db2.gz XTQJBKADFDEAMY-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000014154947 555712833 /nfs/dbraw/zinc/71/28/33/555712833.db2.gz UIUKSMTUPRYKIZ-UHFFFAOYSA-N -1 1 493.629 5.195 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc1Cl ZINC000014155209 555713083 /nfs/dbraw/zinc/71/30/83/555713083.db2.gz MLPJWPZCGNNCOO-UHFFFAOYSA-N -1 1 450.347 5.747 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2C)cc1C ZINC000014155429 555713760 /nfs/dbraw/zinc/71/37/60/555713760.db2.gz WMYHPVNPXJOCDN-UHFFFAOYSA-N -1 1 489.062 5.588 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3C)ccc2C)c1 ZINC000014155646 555714002 /nfs/dbraw/zinc/71/40/02/555714002.db2.gz SFLWTMWRWOAYTO-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2C)cc1C ZINC000014155832 555714749 /nfs/dbraw/zinc/71/47/49/555714749.db2.gz DKNACXZXTSVLID-UHFFFAOYSA-N -1 1 460.665 5.208 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)cc3[O-])oc2c(C)c1 ZINC000014270178 555761416 /nfs/dbraw/zinc/76/14/16/555761416.db2.gz PMHAKVBZFYOJDF-UHFFFAOYSA-N -1 1 473.598 6.242 40 0 JKABMM Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)cc1Cl ZINC000014270221 555761894 /nfs/dbraw/zinc/76/18/94/555761894.db2.gz DSHMSDWBGOPFCX-UHFFFAOYSA-N -1 1 472.353 5.942 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)cc3[O-])oc2c1 ZINC000014275023 555778907 /nfs/dbraw/zinc/77/89/07/555778907.db2.gz DBZAZAOLJHDVGS-UHFFFAOYSA-N -1 1 493.588 6.154 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)cc3[O-])oc2c(C)c1 ZINC000014275039 555778920 /nfs/dbraw/zinc/77/89/20/555778920.db2.gz RPEUCEDYYNOULI-UHFFFAOYSA-N -1 1 486.380 6.251 40 0 JKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000014396143 555801876 /nfs/dbraw/zinc/80/18/76/555801876.db2.gz AJXZTDGFLOVJHT-OAHLLOKOSA-N -1 1 479.385 5.509 40 0 JKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1 ZINC000014396268 555801909 /nfs/dbraw/zinc/80/19/09/555801909.db2.gz VIUXEPXPPAWQKN-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1 ZINC000014396270 555801962 /nfs/dbraw/zinc/80/19/62/555801962.db2.gz VIUXEPXPPAWQKN-KRWDZBQOSA-N -1 1 458.967 5.164 40 0 JKABMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000014397644 555803247 /nfs/dbraw/zinc/80/32/47/555803247.db2.gz FREXJLSOFCFGHV-AWEZNQCLSA-N -1 1 498.910 5.566 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000014399319 555804905 /nfs/dbraw/zinc/80/49/05/555804905.db2.gz NARFGQKGVLXMBM-HXUWFJFHSA-N -1 1 480.630 5.808 40 0 JKABMM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1C ZINC000014399335 555804953 /nfs/dbraw/zinc/80/49/53/555804953.db2.gz UQXMBWRIUMLPQN-UHFFFAOYSA-N -1 1 458.967 5.084 40 0 JKABMM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000014400574 555806173 /nfs/dbraw/zinc/80/61/73/555806173.db2.gz PWKMWGPUGNLBHT-UHFFFAOYSA-N -1 1 472.994 5.555 40 0 JKABMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000014401784 555806817 /nfs/dbraw/zinc/80/68/17/555806817.db2.gz MOHVZCILBGTIMX-GOSISDBHSA-N -1 1 452.576 5.191 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000014401314 555806917 /nfs/dbraw/zinc/80/69/17/555806917.db2.gz GZAMDDQAUFPVGY-INIZCTEOSA-N -1 1 478.492 5.221 40 0 JKABMM Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2cccc([O-])c2Cl)Nc2ccccc2-3)cc1 ZINC000015015987 555856917 /nfs/dbraw/zinc/85/69/17/555856917.db2.gz JSHBRHJVRBWNBB-QFIPXVFZSA-N -1 1 462.962 6.001 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000022109857 555876867 /nfs/dbraw/zinc/87/68/67/555876867.db2.gz BLHAXYOLFQTYJE-UHFFFAOYSA-N -1 1 481.391 5.126 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000022109881 555876893 /nfs/dbraw/zinc/87/68/93/555876893.db2.gz SCXWYENMIZTSKX-UHFFFAOYSA-N -1 1 450.967 5.407 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022110005 555876916 /nfs/dbraw/zinc/87/69/16/555876916.db2.gz PAQJNHVPBPQUIZ-UHFFFAOYSA-N -1 1 487.412 6.246 40 0 JKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022110121 555876921 /nfs/dbraw/zinc/87/69/21/555876921.db2.gz IGIHIYOPYAVUCG-UHFFFAOYSA-N -1 1 457.386 6.237 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000022109871 555876930 /nfs/dbraw/zinc/87/69/30/555876930.db2.gz HQTDMSDMIMXYPQ-UHFFFAOYSA-N -1 1 467.422 5.921 40 0 JKABMM Fc1ccc(COc2ccc3ccccc3c2CNn2c(=S)[n-]nc2-c2ccccc2)cc1 ZINC000022110253 555877184 /nfs/dbraw/zinc/87/71/84/555877184.db2.gz VGSYYJKUCHKMRT-UHFFFAOYSA-N -1 1 456.546 6.223 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022110197 555877209 /nfs/dbraw/zinc/87/72/09/555877209.db2.gz PRMFYKVPWBOMRM-UHFFFAOYSA-N -1 1 487.412 6.246 40 0 JKABMM CCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022110369 555877233 /nfs/dbraw/zinc/87/72/33/555877233.db2.gz PWVHWICQKHOVAP-UHFFFAOYSA-N -1 1 483.819 5.250 40 0 JKABMM Fc1ccccc1COc1ccc(Br)cc1CNn1c(=S)[n-]nc1-c1ccccc1 ZINC000022110131 555877273 /nfs/dbraw/zinc/87/72/73/555877273.db2.gz ZNTFGKGDEFKLDD-UHFFFAOYSA-N -1 1 485.382 5.832 40 0 JKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022110233 555877319 /nfs/dbraw/zinc/87/73/19/555877319.db2.gz XYHFSAQMPYPYJQ-UHFFFAOYSA-N -1 1 491.831 6.891 40 0 JKABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Cl)c1OCc1ccccc1Cl ZINC000022110476 555877556 /nfs/dbraw/zinc/87/75/56/555877556.db2.gz WCRGYNWFGCUARZ-UHFFFAOYSA-N -1 1 453.395 5.531 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2CC)cc(Br)c1OCc1ccccc1Cl ZINC000022110429 555877626 /nfs/dbraw/zinc/87/76/26/555877626.db2.gz LWYFJDYYSPKLQQ-UHFFFAOYSA-N -1 1 497.846 5.640 40 0 JKABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022110480 555877634 /nfs/dbraw/zinc/87/76/34/555877634.db2.gz JNLXBLHSWZTMDH-UHFFFAOYSA-N -1 1 487.840 6.185 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000022110717 555877863 /nfs/dbraw/zinc/87/78/63/555877863.db2.gz FZQZVXRDTXBHJJ-UHFFFAOYSA-N -1 1 466.538 5.087 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000022110674 555877952 /nfs/dbraw/zinc/87/79/52/555877952.db2.gz QREMTAWYYVLEOI-UHFFFAOYSA-N -1 1 468.582 6.092 40 0 JKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022110839 555877965 /nfs/dbraw/zinc/87/79/65/555877965.db2.gz DEBDDUZKWBGUNQ-UHFFFAOYSA-N -1 1 458.374 5.632 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cccc(OCc2ccccc2Cl)c1 ZINC000022110821 555877994 /nfs/dbraw/zinc/87/79/94/555877994.db2.gz YALBPVDELHXDKL-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)cc(Cl)c1OCc1ccccc1 ZINC000022110940 555878202 /nfs/dbraw/zinc/87/82/02/555878202.db2.gz AEBLUMSGTSIFJY-UHFFFAOYSA-N -1 1 497.020 5.991 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022111065 555878314 /nfs/dbraw/zinc/87/83/14/555878314.db2.gz GQIFDZYENUGRRL-UHFFFAOYSA-N -1 1 487.412 6.246 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1c(Cl)cccc1Cl ZINC000022111203 555878604 /nfs/dbraw/zinc/87/86/04/555878604.db2.gz VMCXKWKUQNXJPJ-UHFFFAOYSA-N -1 1 488.400 5.641 40 0 JKABMM CCOc1cc(CNn2cn[n-]c2=S)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022111785 555878841 /nfs/dbraw/zinc/87/88/41/555878841.db2.gz NJQSYNGNAMIKBM-UHFFFAOYSA-N -1 1 469.792 5.078 40 0 JKABMM CCOc1cc(CNn2cn[n-]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022111826 555878879 /nfs/dbraw/zinc/87/88/79/555878879.db2.gz KUZBVZDMHMZCTA-UHFFFAOYSA-N -1 1 459.786 5.622 40 0 JKABMM Cc1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022112359 555879158 /nfs/dbraw/zinc/87/91/58/555879158.db2.gz RBCYMLMRNXLSKR-UHFFFAOYSA-N -1 1 474.211 5.641 40 0 JKABMM Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c1 ZINC000022255287 555903153 /nfs/dbraw/zinc/90/31/53/555903153.db2.gz DAEDYQKJXRSIOK-UHFFFAOYSA-N -1 1 455.624 5.894 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000022522977 555930980 /nfs/dbraw/zinc/93/09/80/555930980.db2.gz DYBLFRIEXILZMN-RUZDIDTESA-N -1 1 466.603 5.322 40 0 JKABMM CCOC(=O)c1c2c(sc1[N-]c1nc3nonc3nc1Nc1ccc(C)cc1C)CCCC2 ZINC000016687733 556151483 /nfs/dbraw/zinc/15/14/83/556151483.db2.gz MKLKWRPOPKZEBJ-UHFFFAOYSA-N -1 1 464.551 5.234 40 0 JKABMM CCOc1cc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2[O-])cc(OCC)c1OCC ZINC000016688386 556152152 /nfs/dbraw/zinc/15/21/52/556152152.db2.gz WBSVZKSKFRGSPD-UHFFFAOYSA-N -1 1 495.041 5.666 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000016779578 556159103 /nfs/dbraw/zinc/15/91/03/556159103.db2.gz JIWJSIFXTDQCKS-UHFFFAOYSA-N -1 1 466.534 5.364 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000016779599 556159173 /nfs/dbraw/zinc/15/91/73/556159173.db2.gz CGUCIUUIRIYFHT-UHFFFAOYSA-N -1 1 478.570 5.233 40 0 JKABMM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000016807618 556162407 /nfs/dbraw/zinc/16/24/07/556162407.db2.gz QGUUNJYMOIXQLQ-UHFFFAOYSA-N -1 1 452.963 5.904 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccccc1)c(C)c2C ZINC000016807673 556162499 /nfs/dbraw/zinc/16/24/99/556162499.db2.gz YKTWGIDRGIOVOR-UHFFFAOYSA-N -1 1 476.598 5.842 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCCC1 ZINC000026114566 556244989 /nfs/dbraw/zinc/24/49/89/556244989.db2.gz JNUQMQUHENNUJQ-UHFFFAOYSA-N -1 1 468.600 5.238 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCCCC1 ZINC000026116127 556246335 /nfs/dbraw/zinc/24/63/35/556246335.db2.gz MPTIOXOCHSUQDI-UHFFFAOYSA-N -1 1 496.654 5.414 40 0 JKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 ZINC000026118917 556248297 /nfs/dbraw/zinc/24/82/97/556248297.db2.gz ZKBASFHPAMLXGW-UHFFFAOYSA-N -1 1 460.665 5.206 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000026119211 556248318 /nfs/dbraw/zinc/24/83/18/556248318.db2.gz BRAYPEIDKFAQTA-UHFFFAOYSA-N -1 1 480.655 5.748 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026119156 556248329 /nfs/dbraw/zinc/24/83/29/556248329.db2.gz XFTLWENXXPLABZ-UHFFFAOYSA-N -1 1 473.447 5.388 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)N1CCCCCC1 ZINC000026120029 556248793 /nfs/dbraw/zinc/24/87/93/556248793.db2.gz AQTULRWIOPXKHT-UHFFFAOYSA-N -1 1 453.029 5.187 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1C(=O)N1CCCCCC1 ZINC000026120087 556248833 /nfs/dbraw/zinc/24/88/33/556248833.db2.gz YYDDKSSENKLGSB-UHFFFAOYSA-N -1 1 497.480 5.296 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCCCC1 ZINC000026120576 556249204 /nfs/dbraw/zinc/24/92/04/556249204.db2.gz YUXIKLUGMHTSBJ-UHFFFAOYSA-N -1 1 473.447 5.532 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1C(=O)N1CCCCCC1 ZINC000026120646 556249217 /nfs/dbraw/zinc/24/92/17/556249217.db2.gz XLGQUAWDNFRRAK-UHFFFAOYSA-N -1 1 462.637 5.013 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000026120631 556249236 /nfs/dbraw/zinc/24/92/36/556249236.db2.gz WTRUZWNJMJIUCR-UHFFFAOYSA-N -1 1 480.655 5.893 40 0 JKABMM Cc1[nH]c2ccccc2c1[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C([O-])=C2ON1c1ccccc1 ZINC000017970547 556273844 /nfs/dbraw/zinc/27/38/44/556273844.db2.gz XIHVMRAZUQUDDW-SDHOMARFSA-N -1 1 471.944 5.489 40 0 JKABMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)Nc1c(C)cccc1C ZINC000027529488 556290588 /nfs/dbraw/zinc/29/05/88/556290588.db2.gz OVLOKVKJZPDNOO-UHFFFAOYSA-N -1 1 494.638 5.675 40 0 JKABMM O=[P@]([O-])(O)[C@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000027987277 556310996 /nfs/dbraw/zinc/31/09/96/556310996.db2.gz JNJYLQHGKLUTIX-LJAQVGFWSA-N -1 1 495.519 6.172 40 0 JKABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000030751720 556371269 /nfs/dbraw/zinc/37/12/69/556371269.db2.gz NVPJWSJLZZLYDT-HXUWFJFHSA-N -1 1 466.603 5.302 40 0 JKABMM CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc(C)cc1 ZINC000030752444 556371594 /nfs/dbraw/zinc/37/15/94/556371594.db2.gz NVIUFFAYBANPRQ-QHCPKHFHSA-N -1 1 456.995 5.639 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1C ZINC000030754155 556372300 /nfs/dbraw/zinc/37/23/00/556372300.db2.gz OLZIWHUAWSYYTI-KRWDZBQOSA-N -1 1 458.967 5.164 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSCc3cccc(C)c3)c2)cc1 ZINC000030754245 556372476 /nfs/dbraw/zinc/37/24/76/556372476.db2.gz PBUMYDYBKLUQFU-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000030755344 556372948 /nfs/dbraw/zinc/37/29/48/556372948.db2.gz HBFQRKFUGAWPKT-DEOSSOPVSA-N -1 1 495.000 6.090 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc2)cc1 ZINC000030758923 556374265 /nfs/dbraw/zinc/37/42/65/556374265.db2.gz UJDGHHPRUGDQFJ-MHZLTWQESA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCc4ccccc43)c(Cl)c2)cc1 ZINC000030851563 556377581 /nfs/dbraw/zinc/37/75/81/556377581.db2.gz GPKIXRHJXVGBSC-QHCPKHFHSA-N -1 1 454.979 5.257 40 0 JKABMM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000030852217 556378214 /nfs/dbraw/zinc/37/82/14/556378214.db2.gz KSXJXUPKKQPQNI-JOCHJYFZSA-N -1 1 493.412 5.899 40 0 JKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c(C)c1 ZINC000030853162 556378618 /nfs/dbraw/zinc/37/86/18/556378618.db2.gz BLPLEHFYJVVRSI-OAQYLSRUSA-N -1 1 450.604 5.521 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 ZINC000030853333 556378635 /nfs/dbraw/zinc/37/86/35/556378635.db2.gz CMUAPETVHNCLQV-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3F)c2)cc1 ZINC000030852971 556378654 /nfs/dbraw/zinc/37/86/54/556378654.db2.gz AITMOGORUXYZCF-UHFFFAOYSA-N -1 1 497.773 5.603 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2C)cc1 ZINC000030859704 556381253 /nfs/dbraw/zinc/38/12/53/556381253.db2.gz JIHBSHQVKHGBFW-XMMPIXPASA-N -1 1 450.604 5.621 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000030860610 556381495 /nfs/dbraw/zinc/38/14/95/556381495.db2.gz BGDZGDHGYGRPJO-DEOSSOPVSA-N -1 1 452.576 5.013 40 0 JKABMM O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030863921 556382750 /nfs/dbraw/zinc/38/27/50/556382750.db2.gz LIZKUQAGALMYPF-UHFFFAOYSA-N -1 1 489.302 6.065 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1)c1ccc(C)cc1 ZINC000030868876 556384108 /nfs/dbraw/zinc/38/41/08/556384108.db2.gz YMXAPHHJNPDCMM-XMMPIXPASA-N -1 1 450.604 5.602 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000030871915 556385410 /nfs/dbraw/zinc/38/54/10/556385410.db2.gz JMPBYHQXLPVETE-VWLOTQADSA-N -1 1 466.603 5.322 40 0 JKABMM Cc1cc(C=C2NC(=S)[N-]C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000032189088 556433113 /nfs/dbraw/zinc/43/31/13/556433113.db2.gz UEKIDESQNCPFIP-CPNJWEJPSA-N -1 1 476.627 5.043 40 0 JKABMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)c3ccc(F)cc3)s2)cc1 ZINC000032594783 556449420 /nfs/dbraw/zinc/44/94/20/556449420.db2.gz DCLPVNIENUDJJE-NOZRDPDXSA-N -1 1 487.556 5.256 40 0 JKABMM Cc1ccc2nc(NC(=O)COc3ccc(Cl)cc3C=C3SC(=S)[N-]C3=O)sc2c1 ZINC000032597950 556449783 /nfs/dbraw/zinc/44/97/83/556449783.db2.gz DAUKODNGVWEGGP-PXNMLYILSA-N -1 1 476.004 5.605 40 0 JKABMM Cc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])C=C3C)[nH]c2c1 ZINC000072320925 560077141 /nfs/dbraw/zinc/07/71/41/560077141.db2.gz CBJNBVORXAPQRC-ACRUOGEOSA-N -1 1 453.627 5.276 40 0 biogenic,in-vitro JKABMM Cc1ccc(S(=O)(=O)Nc2ccc3nc(SCC(=O)c4ccc([O-])cc4)sc3c2)cc1 ZINC000059417596 569602799 /nfs/dbraw/zinc/60/27/99/569602799.db2.gz RJSVGZVDNLBUMU-UHFFFAOYSA-N -1 1 470.597 5.086 40 0 JKABMM O=C([O-])c1ccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000033603672 569628677 /nfs/dbraw/zinc/62/86/77/569628677.db2.gz VWEATAMSXCSKLG-OEAKJJBVSA-N -1 1 496.475 5.212 40 0 JKABMM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(C)c1 ZINC000033674360 569630576 /nfs/dbraw/zinc/63/05/76/569630576.db2.gz NOEINXMECASQKK-UHFFFAOYSA-N -1 1 493.412 5.737 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000033717207 569631744 /nfs/dbraw/zinc/63/17/44/569631744.db2.gz HLGRVAAMWVVOCA-UHFFFAOYSA-N -1 1 451.331 5.055 40 0 JKABMM COc1cc(COc2ccccc2C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1 ZINC000034849068 569667127 /nfs/dbraw/zinc/66/71/27/569667127.db2.gz DEXWUFKSCRIVDL-OEAKJJBVSA-N -1 1 463.580 6.182 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2C)c1 ZINC000034882858 569668869 /nfs/dbraw/zinc/66/88/69/569668869.db2.gz XTBQFEGEQQPDIC-UHFFFAOYSA-N -1 1 484.621 5.947 40 0 JKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000035211265 569678271 /nfs/dbraw/zinc/67/82/71/569678271.db2.gz HTKKRWUDQTYWRP-NDENLUEZSA-N -1 1 455.988 6.800 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000035419802 569692263 /nfs/dbraw/zinc/69/22/63/569692263.db2.gz HCVNDXUPMXMSQS-UHFFFAOYSA-N -1 1 495.782 5.164 40 0 JKABMM O=C(N/C=C\c1cc(Cl)cc(Cl)c1)[C@@H](c1csc2ccc(Cl)cc21)[P@@](=O)([O-])O ZINC000071602554 569697182 /nfs/dbraw/zinc/69/71/82/569697182.db2.gz AAWWTPVQFZNTEM-CWIOURORSA-N -1 1 476.705 5.867 40 0 JKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccccc1F ZINC000083298915 569708403 /nfs/dbraw/zinc/70/84/03/569708403.db2.gz WUDKFVOIMMLWSD-SXGWCWSVSA-N -1 1 468.369 5.895 40 0 JKABMM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000096791735 569743057 /nfs/dbraw/zinc/74/30/57/569743057.db2.gz MHVHYYNMBVRZLE-QKDODKLFSA-N -1 1 486.568 5.234 40 0 JKABMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1ccccc1 ZINC000100927475 569776151 /nfs/dbraw/zinc/77/61/51/569776151.db2.gz WIGPEUXUNPHFLE-ZVBBVAIHSA-N -1 1 464.569 5.465 40 0 JKABMM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000101039372 569780279 /nfs/dbraw/zinc/78/02/79/569780279.db2.gz MCHXRCKPXYDWTL-SMIHKQSGSA-N -1 1 469.928 5.248 40 0 JKABMM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cn(C)c3ccccc23)cc1 ZINC000101054462 569780551 /nfs/dbraw/zinc/78/05/51/569780551.db2.gz DEHFZJUHONNBRJ-PFBJBMPXSA-N -1 1 481.552 5.018 40 0 JKABMM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101180618 569786268 /nfs/dbraw/zinc/78/62/68/569786268.db2.gz XYZIWRRLWQCUOS-PVHODMMVSA-N -1 1 486.568 5.098 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000038756376 569807287 /nfs/dbraw/zinc/80/72/87/569807287.db2.gz LVRXJXYNQTXVKH-HNNXBMFYSA-N -1 1 479.385 5.509 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c2ccccc2)cc1 ZINC000038757154 569807500 /nfs/dbraw/zinc/80/75/00/569807500.db2.gz WARXKFFHJBGNLB-HHHXNRCGSA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)c(C)c1 ZINC000038757219 569807566 /nfs/dbraw/zinc/80/75/66/569807566.db2.gz NYSKAXLXHALEGN-VWLOTQADSA-N -1 1 464.631 5.930 40 0 JKABMM COc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000038772767 569807783 /nfs/dbraw/zinc/80/77/83/569807783.db2.gz PKBMDSLXYOIVDA-UHFFFAOYSA-N -1 1 451.331 5.055 40 0 JKABMM CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc([O-])c(-c2nc3cnccc3o2)c1 ZINC000041091568 569837633 /nfs/dbraw/zinc/83/76/33/569837633.db2.gz XJBWSSTXWHQZSX-UHFFFAOYSA-N -1 1 468.307 5.154 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccccc1F ZINC000108268773 569859326 /nfs/dbraw/zinc/85/93/26/569859326.db2.gz RSFARJOTPLILQG-UHFFFAOYSA-N -1 1 469.321 5.194 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2C)c(C)c1 ZINC000139269356 569867327 /nfs/dbraw/zinc/86/73/27/569867327.db2.gz UOJIQWUYSKWDAS-UHFFFAOYSA-N -1 1 473.392 5.427 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169691875 569871414 /nfs/dbraw/zinc/87/14/14/569871414.db2.gz LCFQAVXMORLZAL-WFXMLNOXSA-N -1 1 499.272 5.357 40 0 JKABMM O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1Cc1ccccc1Br ZINC000214970025 569877051 /nfs/dbraw/zinc/87/70/51/569877051.db2.gz KXXKLCGQHYGGRV-OVCLIPMQSA-N -1 1 469.154 5.154 40 0 JKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000216187303 569877867 /nfs/dbraw/zinc/87/78/67/569877867.db2.gz FELLYSUKBWKCTM-UHFFFAOYSA-N -1 1 480.973 5.863 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000216273590 569878088 /nfs/dbraw/zinc/87/80/88/569878088.db2.gz WVPBORMDYPMPHB-UHFFFAOYSA-N -1 1 483.593 5.302 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c2ccccc2)cc1 ZINC000216359291 569878493 /nfs/dbraw/zinc/87/84/93/569878493.db2.gz OCQPAMVOABHXCU-NDEPHWFRSA-N -1 1 484.621 5.932 40 0 JKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2)cc1 ZINC000216384633 569878632 /nfs/dbraw/zinc/87/86/32/569878632.db2.gz JCRGNQADQNHONK-UHFFFAOYSA-N -1 1 491.613 5.164 40 0 JKABMM CCOc1ccc([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000216409122 569878702 /nfs/dbraw/zinc/87/87/02/569878702.db2.gz QAYZWLVGIOWYCZ-MRXNPFEDSA-N -1 1 458.967 5.031 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)cc1 ZINC000216409430 569878714 /nfs/dbraw/zinc/87/87/14/569878714.db2.gz GLLDUOOMSBNLFB-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c(C)c1 ZINC000216411419 569878780 /nfs/dbraw/zinc/87/87/80/569878780.db2.gz XLSSHOMMJFNRPO-OAQYLSRUSA-N -1 1 450.604 5.521 40 0 JKABMM CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Br)c(Cl)c1[O-] ZINC000222603875 569886751 /nfs/dbraw/zinc/88/67/51/569886751.db2.gz CAWYIBRCNXTKMN-POJUEXTFSA-N -1 1 468.804 5.191 40 0 JKABMM 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Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1 ZINC000222933092 569894801 /nfs/dbraw/zinc/89/48/01/569894801.db2.gz OJLMTJBXGNLQKY-HXUWFJFHSA-N -1 1 462.615 5.474 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2C)cc1 ZINC000222933228 569894815 /nfs/dbraw/zinc/89/48/15/569894815.db2.gz CVZUFRNUENRWQF-HXUWFJFHSA-N -1 1 462.615 5.474 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)cc1C ZINC000222933486 569894831 /nfs/dbraw/zinc/89/48/31/569894831.db2.gz XFKGVLASQPDNAW-NRFANRHFSA-N -1 1 476.642 5.782 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1 ZINC000222933708 569894837 /nfs/dbraw/zinc/89/48/37/569894837.db2.gz FELXCGKODLVGDT-OAQYLSRUSA-N -1 1 476.642 5.782 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2C)c1 ZINC000222935650 569894856 /nfs/dbraw/zinc/89/48/56/569894856.db2.gz NROTWIHZQRAEFH-UHFFFAOYSA-N -1 1 476.649 5.017 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)c2C)cc1 ZINC000222943087 569895070 /nfs/dbraw/zinc/89/50/70/569895070.db2.gz IEFQWRCQSMDPMU-HXUWFJFHSA-N -1 1 462.615 5.474 40 0 JKABMM C[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222966758 569895686 /nfs/dbraw/zinc/89/56/86/569895686.db2.gz KTWJUWKZRXFNGS-KRWDZBQOSA-N -1 1 469.006 5.511 40 0 JKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc2c(c1)CCCC2 ZINC000223054787 569897892 /nfs/dbraw/zinc/89/78/92/569897892.db2.gz HXRDVYSVCAJBFC-AREMUKBSSA-N -1 1 462.615 5.556 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc2c(c1)CCCC2 ZINC000223055280 569897924 /nfs/dbraw/zinc/89/79/24/569897924.db2.gz IVXPLJIFKRTNHI-VWLOTQADSA-N -1 1 476.642 5.864 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc2c(c1)CCCC2 ZINC000223055506 569897983 /nfs/dbraw/zinc/89/79/83/569897983.db2.gz NOORRAFLWHKCBU-AREMUKBSSA-N -1 1 476.642 5.864 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1)c1ccc2c(c1)CCCC2 ZINC000223056433 569897993 /nfs/dbraw/zinc/89/79/93/569897993.db2.gz JAKINAMFDANGDD-MHZLTWQESA-N -1 1 490.669 6.173 40 0 JKABMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C)c1ccc2c(c1)CCCC2 ZINC000223067675 569898373 /nfs/dbraw/zinc/89/83/73/569898373.db2.gz AZBLEHDQXSGAKT-SANMLTNESA-N -1 1 476.642 5.864 40 0 JKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223068531 569898396 /nfs/dbraw/zinc/89/83/96/569898396.db2.gz OUHPNBOSTQEWNH-SANMLTNESA-N -1 1 476.642 5.864 40 0 JKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223095189 569899240 /nfs/dbraw/zinc/89/92/40/569899240.db2.gz XIDGZOSAMPRYRC-RUZDIDTESA-N -1 1 483.033 5.901 40 0 JKABMM CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223094954 569899255 /nfs/dbraw/zinc/89/92/55/569899255.db2.gz DOEMVOKBKOHWIW-VWLOTQADSA-N -1 1 483.033 5.901 40 0 JKABMM CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223094897 569899260 /nfs/dbraw/zinc/89/92/60/569899260.db2.gz DOEMVOKBKOHWIW-RUZDIDTESA-N -1 1 483.033 5.901 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)c1C ZINC000223182209 569902420 /nfs/dbraw/zinc/90/24/20/569902420.db2.gz ATZIHWZRMGAXHM-FQEVSTJZSA-N -1 1 462.615 5.392 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1C ZINC000223182419 569902468 /nfs/dbraw/zinc/90/24/68/569902468.db2.gz IJNPVJPXHKOKDR-HXUWFJFHSA-N -1 1 462.615 5.392 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)c(C)c1 ZINC000223183983 569902582 /nfs/dbraw/zinc/90/25/82/569902582.db2.gz OYDYJUAJWNVUQG-HXUWFJFHSA-N -1 1 462.615 5.392 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)c(C)c1 ZINC000223183926 569902622 /nfs/dbraw/zinc/90/26/22/569902622.db2.gz OYDYJUAJWNVUQG-FQEVSTJZSA-N -1 1 462.615 5.392 40 0 JKABMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccc2c(c1)CCC2 ZINC000223216972 569903832 /nfs/dbraw/zinc/90/38/32/569903832.db2.gz CCZLPOUFNKQDGF-MRXNPFEDSA-N -1 1 454.979 5.121 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)Cc3ccccc3)ccc2C)c1 ZINC000223221361 569903902 /nfs/dbraw/zinc/90/39/02/569903902.db2.gz CFCSRQMZYGTFLL-UHFFFAOYSA-N -1 1 450.604 5.164 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc(OC)c(C)c1 ZINC000223242673 569904709 /nfs/dbraw/zinc/90/47/09/569904709.db2.gz CKWGNAOBIJWTOC-QHCPKHFHSA-N -1 1 480.630 5.611 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccc(OC)c(C)c1 ZINC000223249244 569904873 /nfs/dbraw/zinc/90/48/73/569904873.db2.gz CAUUBNHVWWNKJH-HSZRJFAPSA-N -1 1 480.630 5.611 40 0 JKABMM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2c1 ZINC000223294335 569906518 /nfs/dbraw/zinc/90/65/18/569906518.db2.gz NHXKJRQLNAYHGR-UHFFFAOYSA-N -1 1 473.594 6.178 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1C(C)C ZINC000223312728 569906997 /nfs/dbraw/zinc/90/69/97/569906997.db2.gz VIZFAYZVDNEEEP-HXUWFJFHSA-N -1 1 480.630 5.727 40 0 JKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1C(C)C ZINC000223313647 569907082 /nfs/dbraw/zinc/90/70/82/569907082.db2.gz PVDSGXCYOPWTRG-FQEVSTJZSA-N -1 1 480.630 5.727 40 0 JKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1C(C)C ZINC000223313785 569907089 /nfs/dbraw/zinc/90/70/89/569907089.db2.gz KRDSVMKCFDXANF-NRFANRHFSA-N -1 1 494.657 6.036 40 0 JKABMM CCc1ccc([C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000223322216 569907504 /nfs/dbraw/zinc/90/75/04/569907504.db2.gz MKCBSQDJEHLBHX-KRWDZBQOSA-N -1 1 456.995 5.503 40 0 JKABMM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)s2)cc1 ZINC000223450465 569911761 /nfs/dbraw/zinc/91/17/61/569911761.db2.gz QLXAOQQYJGSKHQ-UHFFFAOYSA-N -1 1 492.626 5.492 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)c(Cl)c2)cc1 ZINC000223463082 569912109 /nfs/dbraw/zinc/91/21/09/569912109.db2.gz JQDXNDJLLQQCRY-IBGZPJMESA-N -1 1 471.022 5.865 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000223550210 569915599 /nfs/dbraw/zinc/91/55/99/569915599.db2.gz UICUFHFWRALPNX-UHFFFAOYSA-N -1 1 495.000 5.411 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc4ccccc4c3)ccc2C)cc1 ZINC000223601866 569917485 /nfs/dbraw/zinc/91/74/85/569917485.db2.gz SDRPHCURUTYKDE-UHFFFAOYSA-N -1 1 474.582 5.066 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc4ccccc4c3)ccc2C)c1 ZINC000223602090 569917533 /nfs/dbraw/zinc/91/75/33/569917533.db2.gz ORJBLWFLJLTEMP-UHFFFAOYSA-N -1 1 488.609 5.375 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2C)cc1 ZINC000223607466 569917737 /nfs/dbraw/zinc/91/77/37/569917737.db2.gz BYEITTBTVNMEJO-UHFFFAOYSA-N -1 1 474.582 5.066 40 0 JKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc(OC)c(C)c1 ZINC000223710216 569920803 /nfs/dbraw/zinc/92/08/03/569920803.db2.gz OVSPVWYCNHCJGC-QHCPKHFHSA-N -1 1 466.603 5.302 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCOc3ccccc3C(C)C)c2)cc1 ZINC000223788372 569923313 /nfs/dbraw/zinc/92/33/13/569923313.db2.gz WJRSILZCXQXTMF-UHFFFAOYSA-N -1 1 487.021 5.381 40 0 JKABMM CCC1(CC)C[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c2ccccc2O1 ZINC000223858894 569925346 /nfs/dbraw/zinc/92/53/46/569925346.db2.gz ZNRRIKYQENMZGM-DEOSSOPVSA-N -1 1 492.641 5.917 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1NC(=O)C(C)C ZINC000223930336 569927643 /nfs/dbraw/zinc/92/76/43/569927643.db2.gz PDRVJRFGHLBTSM-UHFFFAOYSA-N -1 1 498.714 6.272 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)cc1 ZINC000223931021 569927672 /nfs/dbraw/zinc/92/76/72/569927672.db2.gz KNSHXVMGFHKEHG-UHFFFAOYSA-N -1 1 457.555 5.034 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c4c(cccc42)CC3)ccc1C ZINC000223941697 569927905 /nfs/dbraw/zinc/92/79/05/569927905.db2.gz RDGUQJHQBAWGGI-UHFFFAOYSA-N -1 1 456.567 5.608 40 0 JKABMM CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000223947120 569928055 /nfs/dbraw/zinc/92/80/55/569928055.db2.gz IXFFUYGPLCYDOM-UHFFFAOYSA-N -1 1 480.630 5.174 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)c1C ZINC000223947200 569928112 /nfs/dbraw/zinc/92/81/12/569928112.db2.gz QWZVCLFUVULZLV-UHFFFAOYSA-N -1 1 470.594 5.917 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2C)c1 ZINC000223952843 569928204 /nfs/dbraw/zinc/92/82/04/569928204.db2.gz VLPPRIMPYLIYSI-UHFFFAOYSA-N -1 1 484.577 6.564 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2C)c1 ZINC000223951089 569928241 /nfs/dbraw/zinc/92/82/41/569928241.db2.gz FMTFOULFBYXKLM-UHFFFAOYSA-N -1 1 485.609 5.651 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2C)c(C)c1 ZINC000223972460 569928995 /nfs/dbraw/zinc/92/89/95/569928995.db2.gz SVDVMONDHINLIO-UHFFFAOYSA-N -1 1 484.577 6.564 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2C)c(C)c1 ZINC000223973006 569929052 /nfs/dbraw/zinc/92/90/52/569929052.db2.gz OISWWAFWMXXMTB-UHFFFAOYSA-N -1 1 494.657 5.519 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2C)c1C ZINC000224056839 569931880 /nfs/dbraw/zinc/93/18/80/569931880.db2.gz UPYGHSYRVGEGRN-UHFFFAOYSA-N -1 1 476.520 5.361 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2C)cc1 ZINC000224081538 569932705 /nfs/dbraw/zinc/93/27/05/569932705.db2.gz XWBKHSLMPWBVQZ-UHFFFAOYSA-N -1 1 471.582 5.342 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224083951 569932750 /nfs/dbraw/zinc/93/27/50/569932750.db2.gz HJAXCQCAWYPUFW-UHFFFAOYSA-N -1 1 457.555 5.034 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1C(=O)N1CCC(C)CC1 ZINC000224164853 569935046 /nfs/dbraw/zinc/93/50/46/569935046.db2.gz XTZXLSFSPOAGFM-UHFFFAOYSA-N -1 1 478.570 5.268 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1C(=O)N1CCCCCC1 ZINC000224328329 569940828 /nfs/dbraw/zinc/94/08/28/569940828.db2.gz MEEPFIKEGVWRCQ-UHFFFAOYSA-N -1 1 480.655 5.477 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)cc1 ZINC000224401348 569943333 /nfs/dbraw/zinc/94/33/33/569943333.db2.gz BXRNSEJQXQWECI-UHFFFAOYSA-N -1 1 492.000 5.687 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCc3ccc(Cl)cc3)c2)cc1 ZINC000224399973 569943347 /nfs/dbraw/zinc/94/33/47/569943347.db2.gz MUHRHJJQJVOBFS-UHFFFAOYSA-N -1 1 463.386 5.075 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000224403570 569943489 /nfs/dbraw/zinc/94/34/89/569943489.db2.gz UBGDCUQLVUKVAC-UHFFFAOYSA-N -1 1 463.386 5.075 40 0 JKABMM CC(C)(C)c1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000224403165 569943516 /nfs/dbraw/zinc/94/35/16/569943516.db2.gz TZSIKYXSVAAQOS-UHFFFAOYSA-N -1 1 487.021 5.247 40 0 JKABMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C)c1ccc(OC)c(C)c1 ZINC000224613314 569950735 /nfs/dbraw/zinc/95/07/35/569950735.db2.gz XVSHMAFXIQIQNT-QHCPKHFHSA-N -1 1 466.603 5.302 40 0 JKABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc21 ZINC000224668486 569953004 /nfs/dbraw/zinc/95/30/04/569953004.db2.gz ZNHCFLSDMPSETG-UHFFFAOYSA-N -1 1 490.625 5.315 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccc(OC)c(C)c1 ZINC000224743144 569955677 /nfs/dbraw/zinc/95/56/77/569955677.db2.gz YYLUBTUGHODYJD-XMMPIXPASA-N -1 1 480.630 5.611 40 0 JKABMM CCC1(CC)C[C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c2ccccc2O1 ZINC000224805959 569958364 /nfs/dbraw/zinc/95/83/64/569958364.db2.gz OKJZBLVEFPEAMH-VWLOTQADSA-N -1 1 492.641 5.917 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccc2C)c1 ZINC000224911818 569963133 /nfs/dbraw/zinc/96/31/33/569963133.db2.gz YMBMNVKJDFPZTC-UHFFFAOYSA-N -1 1 463.603 5.265 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2C)cc1 ZINC000224954093 569964765 /nfs/dbraw/zinc/96/47/65/569964765.db2.gz CJNBDCNSURDJOO-UHFFFAOYSA-N -1 1 463.603 5.347 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000224972891 569966178 /nfs/dbraw/zinc/96/61/78/569966178.db2.gz FIUDIFGSPJMKJU-UHFFFAOYSA-N -1 1 470.594 5.952 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000224973519 569966246 /nfs/dbraw/zinc/96/62/46/569966246.db2.gz UJTNNNOVQHSSMC-UHFFFAOYSA-N -1 1 491.012 6.297 40 0 JKABMM Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408595924 569966564 /nfs/dbraw/zinc/96/65/64/569966564.db2.gz WDKKLEFDOKVFAN-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000224986014 569967350 /nfs/dbraw/zinc/96/73/50/569967350.db2.gz GBDLLPJIIICHKJ-UHFFFAOYSA-N -1 1 495.000 6.090 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c(Cl)c1 ZINC000224997291 569968137 /nfs/dbraw/zinc/96/81/37/569968137.db2.gz MNRBTBIGQDFYBE-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000225002928 569968459 /nfs/dbraw/zinc/96/84/59/569968459.db2.gz WLASSBUGWDSFBK-HXUWFJFHSA-N -1 1 450.604 5.466 40 0 JKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(O[C@H](C)C(=O)NCC(C)C)cc3)ccc21 ZINC000408602727 569969648 /nfs/dbraw/zinc/96/96/48/569969648.db2.gz IVTYJWJLHKEGAY-LJQANCHMSA-N -1 1 493.629 5.155 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)ccc2C)c1 ZINC000408610403 569972441 /nfs/dbraw/zinc/97/24/41/569972441.db2.gz QNWOUBOVWDXJPR-UHFFFAOYSA-N -1 1 493.629 5.193 40 0 JKABMM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1OCC ZINC000225062006 569972735 /nfs/dbraw/zinc/97/27/35/569972735.db2.gz WAPOPDFJYGEDCF-UHFFFAOYSA-N -1 1 488.993 5.499 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000408613134 569973122 /nfs/dbraw/zinc/97/31/22/569973122.db2.gz ZYDWPZYUUBHTEZ-UHFFFAOYSA-N -1 1 484.883 5.177 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)c1 ZINC000225069808 569973244 /nfs/dbraw/zinc/97/32/44/569973244.db2.gz RNPVJPYDZWQXBT-UHFFFAOYSA-N -1 1 493.810 5.772 40 0 JKABMM CCn1c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2sc1=O ZINC000225091365 569974379 /nfs/dbraw/zinc/97/43/79/569974379.db2.gz SVBQZRCQNFHOBS-UHFFFAOYSA-N -1 1 495.626 5.061 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2C)c1 ZINC000408615827 569974995 /nfs/dbraw/zinc/97/49/95/569974995.db2.gz SRTSLIROZPSPKY-UHFFFAOYSA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000408616859 569975842 /nfs/dbraw/zinc/97/58/42/569975842.db2.gz CMPXBMWDLXYQBR-UHFFFAOYSA-N -1 1 456.567 5.315 40 0 JKABMM COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c1)CCC2 ZINC000408617927 569976380 /nfs/dbraw/zinc/97/63/80/569976380.db2.gz HWCWPAXUWZIPLZ-UHFFFAOYSA-N -1 1 498.626 5.002 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)ccc2C)c1 ZINC000225146563 569977893 /nfs/dbraw/zinc/97/78/93/569977893.db2.gz HFFRGGDLDJTNTC-UHFFFAOYSA-N -1 1 495.626 5.314 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000408621702 569978425 /nfs/dbraw/zinc/97/84/25/569978425.db2.gz LXOIRPFVZRVORR-UHFFFAOYSA-N -1 1 462.493 5.684 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2C)c1 ZINC000408622340 569978737 /nfs/dbraw/zinc/97/87/37/569978737.db2.gz VWAZJVJOICWHKV-UHFFFAOYSA-N -1 1 452.576 5.452 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408622951 569978991 /nfs/dbraw/zinc/97/89/91/569978991.db2.gz OGMPXWDMCQIBRJ-UHFFFAOYSA-N -1 1 490.547 6.499 40 0 JKABMM O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408623623 569979313 /nfs/dbraw/zinc/97/93/13/569979313.db2.gz SFMCEXLNIOKXTG-UHFFFAOYSA-N -1 1 486.637 6.208 40 0 JKABMM CCCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000408626394 569980638 /nfs/dbraw/zinc/98/06/38/569980638.db2.gz WXHCSBNQFOTLDO-UHFFFAOYSA-N -1 1 480.586 5.313 40 0 JKABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000408627025 569980964 /nfs/dbraw/zinc/98/09/64/569980964.db2.gz XLBHHBOKBFGWTE-UHFFFAOYSA-N -1 1 476.520 5.938 40 0 JKABMM COc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c(OC)cc1Cl ZINC000408627257 569981057 /nfs/dbraw/zinc/98/10/57/569981057.db2.gz YTRCLBLBNWICLK-UHFFFAOYSA-N -1 1 488.993 5.336 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1C ZINC000408627453 569981187 /nfs/dbraw/zinc/98/11/87/569981187.db2.gz ZULIMSBVZMOPJU-UHFFFAOYSA-N -1 1 462.493 5.684 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000408628132 569981370 /nfs/dbraw/zinc/98/13/70/569981370.db2.gz USFYHEFXCGNWSJ-UHFFFAOYSA-N -1 1 490.968 6.601 40 0 JKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(Br)c3)ccc21 ZINC000408629931 569981829 /nfs/dbraw/zinc/98/18/29/569981829.db2.gz KQGSLKRHFYEGED-UHFFFAOYSA-N -1 1 459.365 5.386 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2C)cc1C ZINC000408629840 569981870 /nfs/dbraw/zinc/98/18/70/569981870.db2.gz IXDYXYDXBDNSGW-UHFFFAOYSA-N -1 1 452.576 5.452 40 0 JKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C(C)C)c(OC)cc2C)C(=O)[O-])n1 ZINC000408630835 569982606 /nfs/dbraw/zinc/98/26/06/569982606.db2.gz DBHQJAMKFWZZSJ-JMIUGGIZSA-N -1 1 473.982 5.792 40 0 JKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])n1 ZINC000408631281 569982849 /nfs/dbraw/zinc/98/28/49/569982849.db2.gz CZTKILMLKCRXKL-ODLFYWEKSA-N -1 1 488.352 6.265 40 0 JKABMM COC(=O)c1cccc(-c2ccc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])o2)c1 ZINC000408631971 569983354 /nfs/dbraw/zinc/98/33/54/569983354.db2.gz BWHFSQVVYAQWCU-UNOMPAQXSA-N -1 1 481.917 5.390 40 0 JKABMM CC(=O)c1ccc(-c2ccc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])o2)cc1 ZINC000408632052 569983475 /nfs/dbraw/zinc/98/34/75/569983475.db2.gz CXMHGEJTYCINPY-NDENLUEZSA-N -1 1 465.918 5.806 40 0 JKABMM O=C([O-])C(=Cc1cccc(OCc2ccc(Cl)cc2)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632073 569983491 /nfs/dbraw/zinc/98/34/91/569983491.db2.gz DCIGPRAAQIIFAS-BKUYFWCQSA-N -1 1 498.391 6.575 40 0 JKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(N3CCCCCC3)o2)C(=O)[O-])n1 ZINC000408632192 569983605 /nfs/dbraw/zinc/98/36/05/569983605.db2.gz OPZFVSGHANVSJF-AQTBWJFISA-N -1 1 474.970 5.325 40 0 JKABMM O=C([O-])C(=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633611 569984687 /nfs/dbraw/zinc/98/46/87/569984687.db2.gz KVJCHQDIOFGBTM-BOPFTXTBSA-N -1 1 495.973 5.963 40 0 JKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)[O-])n2)c1 ZINC000408633621 569984718 /nfs/dbraw/zinc/98/47/18/569984718.db2.gz OFFMLLUOHGSRLF-NDENLUEZSA-N -1 1 482.949 5.151 40 0 JKABMM O=C([O-])C(=Cc1cccc(OCc2ccccc2Cl)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634430 569985170 /nfs/dbraw/zinc/98/51/70/569985170.db2.gz RCPMKAFKIMRSDR-BKUYFWCQSA-N -1 1 498.391 6.575 40 0 JKABMM O=C([O-])C(=Cc1ccc(Sc2ccc(Cl)cc2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634628 569985264 /nfs/dbraw/zinc/98/52/64/569985264.db2.gz SPVWVLVULAJORD-BOPFTXTBSA-N -1 1 490.393 6.741 40 0 JKABMM O=C([O-])C(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635168 569985497 /nfs/dbraw/zinc/98/54/97/569985497.db2.gz XMMVRXOICNWCDI-ZDLGFXPLSA-N -1 1 492.771 6.910 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NC1CCCCCC1 ZINC000408635648 569985893 /nfs/dbraw/zinc/98/58/93/569985893.db2.gz GONLHAYCKXMKJL-UHFFFAOYSA-N -1 1 471.406 5.012 40 0 JKABMM COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000408635564 569985916 /nfs/dbraw/zinc/98/59/16/569985916.db2.gz DXVDDUWJXYLMQW-UHFFFAOYSA-N -1 1 464.465 5.076 40 0 JKABMM CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000408636374 569986711 /nfs/dbraw/zinc/98/67/11/569986711.db2.gz PDCAOOPQIHBLCD-UHFFFAOYSA-N -1 1 493.412 5.935 40 0 JKABMM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)c1 ZINC000408636500 569986733 /nfs/dbraw/zinc/98/67/33/569986733.db2.gz RFGHNHOTHZRCIL-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636914 569987042 /nfs/dbraw/zinc/98/70/42/569987042.db2.gz WBGMCMYBUBQKGY-UHFFFAOYSA-N -1 1 495.384 5.210 40 0 JKABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)c1ccccc1 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1 479.410 5.527 40 0 JKABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1 ZINC000225801237 570022375 /nfs/dbraw/zinc/02/23/75/570022375.db2.gz YLEZDUZEMBAHFP-UHFFFAOYSA-N -1 1 487.046 5.908 40 0 JKABMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1 ZINC000225803840 570022639 /nfs/dbraw/zinc/02/26/39/570022639.db2.gz DNTAMLBVXYQQFE-UHFFFAOYSA-N -1 1 489.018 5.353 40 0 JKABMM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000408702959 570023004 /nfs/dbraw/zinc/02/30/04/570023004.db2.gz LAFZRPBJLGTDEQ-UHFFFAOYSA-N -1 1 458.967 5.247 40 0 JKABMM O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408703657 570023373 /nfs/dbraw/zinc/02/33/73/570023373.db2.gz VWPPVKFDUAQSKJ-UHFFFAOYSA-N -1 1 479.385 5.592 40 0 JKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000408703844 570023594 /nfs/dbraw/zinc/02/35/94/570023594.db2.gz ZIEDLMWPKBOEMO-LJQANCHMSA-N -1 1 460.555 5.355 40 0 JKABMM 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CCOC(=O)c1c2c(sc1-n1c(C)cc(-c3nc4sc(C)c(C)c4c(=O)[n-]3)c1C)CCCC2 ZINC000408735265 570030127 /nfs/dbraw/zinc/03/01/27/570030127.db2.gz PEVYPFJIHWAPEH-UHFFFAOYSA-N -1 1 481.643 6.205 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1 ZINC000408906271 570070849 /nfs/dbraw/zinc/07/08/49/570070849.db2.gz FAODYKURJHLEDU-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000408906585 570070852 /nfs/dbraw/zinc/07/08/52/570070852.db2.gz HXYUNBLBHOGKAP-UHFFFAOYSA-N -1 1 488.634 6.173 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000408907530 570071288 /nfs/dbraw/zinc/07/12/88/570071288.db2.gz QFGGLLGAUDPHQK-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000408907770 570071324 /nfs/dbraw/zinc/07/13/24/570071324.db2.gz RBHYKDAPSKDMEV-UHFFFAOYSA-N -1 1 485.940 5.969 40 0 JKABMM [O-]c1cc2c(cc1Cl)[C@H](c1ccccc1)[C@@H]1CCC[C@@H]3[C@@H](c4ccccc4)NC(=S)N[C@]31O2 ZINC000247957606 570071730 /nfs/dbraw/zinc/07/17/30/570071730.db2.gz OJVFCCKMQFSLLN-YVPNDOKSSA-N -1 1 477.029 5.902 40 0 JKABMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3cccc4ccccc43)c(Br)c2)N1 ZINC000408918517 570076302 /nfs/dbraw/zinc/07/63/02/570076302.db2.gz LLLWYQNLUVPLDC-VCHYOVAHSA-N -1 1 457.711 5.015 40 0 JKABMM O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408920206 570076766 /nfs/dbraw/zinc/07/67/66/570076766.db2.gz BFPGPJIHWOSBDY-UHFFFAOYSA-N -1 1 480.533 5.627 40 0 JKABMM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408921165 570077364 /nfs/dbraw/zinc/07/73/64/570077364.db2.gz UDVKUQMXRAADBP-INIZCTEOSA-N -1 1 461.008 5.401 40 0 JKABMM O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408921460 570077372 /nfs/dbraw/zinc/07/73/72/570077372.db2.gz IAWFVSAMSGVNGB-SFQUDFHCSA-N -1 1 462.958 5.946 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000408921729 570077543 /nfs/dbraw/zinc/07/75/43/570077543.db2.gz WCWIAVIIJTXODX-INIZCTEOSA-N -1 1 461.008 5.569 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000408924732 570078170 /nfs/dbraw/zinc/07/81/70/570078170.db2.gz LVUTWAOBDNUCPG-WUXMJOGZSA-N -1 1 495.815 6.408 40 0 JKABMM O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408924688 570078199 /nfs/dbraw/zinc/07/81/99/570078199.db2.gz LLBYPEBLLMZLHY-LZWSPWQCSA-N -1 1 475.339 5.041 40 0 JKABMM Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000408925164 570078279 /nfs/dbraw/zinc/07/82/79/570078279.db2.gz KMAKNZLPNWTSOV-UHFFFAOYSA-N -1 1 476.623 5.821 40 0 JKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1OC ZINC000408925196 570078282 /nfs/dbraw/zinc/07/82/82/570078282.db2.gz NLSBVGCOVUYURH-RIYZIHGNSA-N -1 1 486.977 5.118 40 0 JKABMM CCC(C)(C)[C@@H]1CC[C@H]2Oc3c(cc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)c4ccccc34)[C@H]2C1 ZINC000252441476 570080666 /nfs/dbraw/zinc/08/06/66/570080666.db2.gz XSBUJIPBMPLAHN-LFGPKHSOSA-N -1 1 491.697 7.845 40 0 JKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1ccc(Cl)cc1 ZINC000408988175 570093083 /nfs/dbraw/zinc/09/30/83/570093083.db2.gz HIYRWNMIDWCNNE-UHFFFAOYSA-N -1 1 466.990 6.574 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1cccc(F)c1 ZINC000408989784 570093633 /nfs/dbraw/zinc/09/36/33/570093633.db2.gz MBGGVDFCGSWBNP-UHFFFAOYSA-N -1 1 478.589 6.840 40 0 JKABMM COc1ccc(OC)c(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCC5)cc2OC)c1 ZINC000408992472 570094506 /nfs/dbraw/zinc/09/45/06/570094506.db2.gz SVPQLZHFLMTTKX-UHFFFAOYSA-N -1 1 492.597 5.938 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)cc1Cl ZINC000409171399 570155015 /nfs/dbraw/zinc/15/50/15/570155015.db2.gz ANNORKIAJSADKD-JJIBRWJFSA-N -1 1 492.984 6.222 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3c(Cl)cccc3Cl)cc2)c1 ZINC000409174038 570156102 /nfs/dbraw/zinc/15/61/02/570156102.db2.gz QICQHWFXSSPVGB-UHFFFAOYSA-N -1 1 495.453 5.975 40 0 JKABMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000409174577 570156245 /nfs/dbraw/zinc/15/62/45/570156245.db2.gz UXFNGRSEUHQREN-IBGZPJMESA-N -1 1 454.617 5.532 40 0 JKABMM CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(Br)c(Cl)c1[O-] ZINC000260755869 570156682 /nfs/dbraw/zinc/15/66/82/570156682.db2.gz CAWYIBRCNXTKMN-GPNNCHTKSA-N -1 1 468.804 5.191 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000409177647 570157601 /nfs/dbraw/zinc/15/76/01/570157601.db2.gz HJKBINCETNWZOI-UHFFFAOYSA-N -1 1 476.985 6.369 40 0 JKABMM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000409178244 570157950 /nfs/dbraw/zinc/15/79/50/570157950.db2.gz LJMVYJINZCMTBO-UHFFFAOYSA-N -1 1 461.008 5.570 40 0 JKABMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000409178815 570158166 /nfs/dbraw/zinc/15/81/66/570158166.db2.gz ISHZNNJOINSBPT-HNNXBMFYSA-N -1 1 495.453 6.222 40 0 JKABMM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000409180455 570158887 /nfs/dbraw/zinc/15/88/87/570158887.db2.gz SZYHGIUJENXIKM-MRXNPFEDSA-N -1 1 494.560 5.934 40 0 JKABMM Cc1n[nH]c(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])n1 ZINC000409188297 570161138 /nfs/dbraw/zinc/16/11/38/570161138.db2.gz FXIDPFUKPNJLNP-IUXPMGMMSA-N -1 1 470.765 5.870 40 0 JKABMM Cc1nc(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])n[nH]1 ZINC000409188297 570161140 /nfs/dbraw/zinc/16/11/40/570161140.db2.gz FXIDPFUKPNJLNP-IUXPMGMMSA-N -1 1 470.765 5.870 40 0 JKABMM Cc1n[nH]c(SC(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)[O-])n1 ZINC000409190134 570161630 /nfs/dbraw/zinc/16/16/30/570161630.db2.gz LFACQGUZHUMRNG-MTJSOVHGSA-N -1 1 451.935 5.717 40 0 JKABMM Cc1nc(SC(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)[O-])n[nH]1 ZINC000409190134 570161631 /nfs/dbraw/zinc/16/16/31/570161631.db2.gz LFACQGUZHUMRNG-MTJSOVHGSA-N -1 1 451.935 5.717 40 0 JKABMM CCOc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000409191021 570161828 /nfs/dbraw/zinc/16/18/28/570161828.db2.gz YQRVDAABOHFCND-UCQKPKSFSA-N -1 1 461.543 5.462 40 0 JKABMM CCOc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000409191021 570161829 /nfs/dbraw/zinc/16/18/29/570161829.db2.gz YQRVDAABOHFCND-UCQKPKSFSA-N -1 1 461.543 5.462 40 0 JKABMM Cc1n[nH]c(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])n1 ZINC000409195504 570163393 /nfs/dbraw/zinc/16/33/93/570163393.db2.gz VWENSACSOLJBPR-IDUWFGFVSA-N -1 1 470.765 5.870 40 0 JKABMM Cc1nc(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])n[nH]1 ZINC000409195504 570163394 /nfs/dbraw/zinc/16/33/94/570163394.db2.gz VWENSACSOLJBPR-IDUWFGFVSA-N -1 1 470.765 5.870 40 0 JKABMM Cc1ccc(CSc2n[n+]3c(c(=O)[n-]2)-c2ccccc2N[C@H]3c2cccc([O-])c2Cl)cc1 ZINC000261365037 570168963 /nfs/dbraw/zinc/16/89/63/570168963.db2.gz POMBUDGUHBBBGV-JOCHJYFZSA-O -1 1 463.970 5.069 40 0 JKABMM COc1cc(Br)c(Br)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c1O ZINC000409253741 570186491 /nfs/dbraw/zinc/18/64/91/570186491.db2.gz GNMZPIISCNSEEF-UHFFFAOYSA-N -1 1 486.185 5.182 40 0 JKABMM O=C(Oc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1)c1cccc(Br)c1 ZINC000409255289 570186818 /nfs/dbraw/zinc/18/68/18/570186818.db2.gz HRNYQSWISJIIES-UHFFFAOYSA-N -1 1 481.371 5.924 40 0 JKABMM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c1C ZINC000408531238 570187951 /nfs/dbraw/zinc/18/79/51/570187951.db2.gz MMQPJLFGHCCDPF-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408531059 570187992 /nfs/dbraw/zinc/18/79/92/570187992.db2.gz LUMNWHAZBRJQRO-UHFFFAOYSA-N -1 1 479.385 5.374 40 0 JKABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1C ZINC000408533126 570188954 /nfs/dbraw/zinc/18/89/54/570188954.db2.gz PWQWXDFFOGIQCN-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1C ZINC000408545635 570192905 /nfs/dbraw/zinc/19/29/05/570192905.db2.gz LUXNJRCQGYAOBV-UHFFFAOYSA-N -1 1 482.911 6.029 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2C)c1 ZINC000408546848 570193502 /nfs/dbraw/zinc/19/35/02/570193502.db2.gz WNCUZSSKRWVGQC-UHFFFAOYSA-N -1 1 476.642 5.508 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1C ZINC000408547396 570193819 /nfs/dbraw/zinc/19/38/19/570193819.db2.gz JETRJSOZXFCTKT-UHFFFAOYSA-N -1 1 463.386 5.341 40 0 JKABMM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000408547822 570193925 /nfs/dbraw/zinc/19/39/25/570193925.db2.gz NKNUZMZLNUQGNE-UHFFFAOYSA-N -1 1 486.977 5.105 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSc2ccc(Cl)cc2)ccc1C ZINC000408547825 570193969 /nfs/dbraw/zinc/19/39/69/570193969.db2.gz NMFIVJATVKEYBT-UHFFFAOYSA-N -1 1 475.035 5.280 40 0 JKABMM CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000408548804 570194311 /nfs/dbraw/zinc/19/43/11/570194311.db2.gz VMXYGAJSHRRQND-UHFFFAOYSA-N -1 1 493.629 5.195 40 0 JKABMM CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408550151 570194813 /nfs/dbraw/zinc/19/48/13/570194813.db2.gz AHYPEYKXRUHIMH-UHFFFAOYSA-N -1 1 493.412 5.935 40 0 JKABMM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408550209 570194902 /nfs/dbraw/zinc/19/49/02/570194902.db2.gz BKRDAODDIJGALE-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NCc1ccccc1Cl ZINC000408550827 570195152 /nfs/dbraw/zinc/19/51/52/570195152.db2.gz FPIQWEFVDMZNHF-UHFFFAOYSA-N -1 1 499.803 5.143 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccccc1Cl ZINC000408551830 570195347 /nfs/dbraw/zinc/19/53/47/570195347.db2.gz JDJVRWVWMNNSPD-UHFFFAOYSA-N -1 1 485.776 5.465 40 0 JKABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC000408552310 570195567 /nfs/dbraw/zinc/19/55/67/570195567.db2.gz LRSYZDCZHRBZDZ-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccccc1 ZINC000408553015 570195685 /nfs/dbraw/zinc/19/56/85/570195685.db2.gz UHXRPYUDQGJQMP-UHFFFAOYSA-N -1 1 451.331 5.055 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408553036 570195756 /nfs/dbraw/zinc/19/57/56/570195756.db2.gz UWJPFNSWEWGKDC-UHFFFAOYSA-N -1 1 465.358 5.364 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408554055 570196135 /nfs/dbraw/zinc/19/61/35/570196135.db2.gz BIKRONKMCRHJCB-UHFFFAOYSA-N -1 1 480.973 5.945 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408554564 570196320 /nfs/dbraw/zinc/19/63/20/570196320.db2.gz CBMRNEQRJFFAMV-UHFFFAOYSA-N -1 1 465.358 5.445 40 0 JKABMM Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408555922 570197099 /nfs/dbraw/zinc/19/70/99/570197099.db2.gz XRFZGLYRIIYQFE-UHFFFAOYSA-N -1 1 499.803 5.774 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408555827 570197110 /nfs/dbraw/zinc/19/71/10/570197110.db2.gz GTJNOXBQQANAEP-UHFFFAOYSA-N -1 1 479.385 5.754 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccccc1F ZINC000408557216 570198089 /nfs/dbraw/zinc/19/80/89/570198089.db2.gz MEJOYFXKPHBFIX-UHFFFAOYSA-N -1 1 483.348 5.584 40 0 JKABMM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408558088 570198766 /nfs/dbraw/zinc/19/87/66/570198766.db2.gz PRAAVUNWYQQRDS-UHFFFAOYSA-N -1 1 497.425 5.534 40 0 JKABMM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408558201 570198846 /nfs/dbraw/zinc/19/88/46/570198846.db2.gz QIVCUJHMIKZDNR-UHFFFAOYSA-N -1 1 495.384 5.129 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408558461 570199106 /nfs/dbraw/zinc/19/91/06/570199106.db2.gz JCGOPWITMXDDNO-UHFFFAOYSA-N -1 1 497.425 5.777 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1NC(=O)c1ccccc1F ZINC000408558762 570199225 /nfs/dbraw/zinc/19/92/25/570199225.db2.gz SXULKACKOQRZFX-UHFFFAOYSA-N -1 1 462.930 5.239 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 ZINC000408559066 570199456 /nfs/dbraw/zinc/19/94/56/570199456.db2.gz VGKSLPYBMVQCIR-UHFFFAOYSA-N -1 1 484.883 5.421 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1c(F)cccc1F ZINC000408559128 570199563 /nfs/dbraw/zinc/19/95/63/570199563.db2.gz LHZKRAPVTUVNQA-UHFFFAOYSA-N -1 1 487.311 5.090 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559194 570199590 /nfs/dbraw/zinc/19/95/90/570199590.db2.gz VYPZTNHOPXOKIA-UHFFFAOYSA-N -1 1 469.321 5.194 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559197 570199593 /nfs/dbraw/zinc/19/95/93/570199593.db2.gz WAIXDLNLUGXDAR-UHFFFAOYSA-N -1 1 484.883 5.421 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559748 570200017 /nfs/dbraw/zinc/20/00/17/570200017.db2.gz YKEMKDMWWNCQIL-UHFFFAOYSA-N -1 1 484.883 5.421 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 ZINC000408560438 570200409 /nfs/dbraw/zinc/20/04/09/570200409.db2.gz OZKTXDBNZWTEJB-UHFFFAOYSA-N -1 1 498.910 5.811 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408561418 570201027 /nfs/dbraw/zinc/20/10/27/570201027.db2.gz SFSILLLRYYEFDB-UHFFFAOYSA-N -1 1 464.465 5.076 40 0 JKABMM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408561683 570201298 /nfs/dbraw/zinc/20/12/98/570201298.db2.gz VBWSUVVCHCSDOA-UHFFFAOYSA-N -1 1 495.384 5.210 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NC1CCCCCCC1 ZINC000408581765 570206854 /nfs/dbraw/zinc/20/68/54/570206854.db2.gz AJWYFKRFXWUVSJ-UHFFFAOYSA-N -1 1 485.433 5.402 40 0 JKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1 ZINC000408585394 570207969 /nfs/dbraw/zinc/20/79/69/570207969.db2.gz GGXQUJYOFUMJJA-UHFFFAOYSA-N -1 1 496.585 5.014 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)N1CCCCC1 ZINC000408586770 570208191 /nfs/dbraw/zinc/20/81/91/570208191.db2.gz BRWPPIBBJIXYOM-UHFFFAOYSA-N -1 1 461.893 5.177 40 0 JKABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)ccc1OC ZINC000408586636 570208212 /nfs/dbraw/zinc/20/82/12/570208212.db2.gz PJZDOSKERGGMFS-UHFFFAOYSA-N -1 1 458.561 5.216 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1)N1CCCC1 ZINC000408589309 570208751 /nfs/dbraw/zinc/20/87/51/570208751.db2.gz GXHRLPVTUPPUDR-UHFFFAOYSA-N -1 1 453.589 5.266 40 0 JKABMM Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408592718 570209480 /nfs/dbraw/zinc/20/94/80/570209480.db2.gz OEUBOTBRLONWEI-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)C(=O)NC1CCCCC1 ZINC000408592887 570209619 /nfs/dbraw/zinc/20/96/19/570209619.db2.gz OYYUNEHSBWLXFS-CQSZACIVSA-N -1 1 471.406 5.010 40 0 JKABMM O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc21 ZINC000020765710 195221063 /nfs/dbraw/zinc/22/10/63/195221063.db2.gz UPIQBRNOLJHDFR-UHFFFAOYSA-N -1 1 460.477 5.099 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766449 195221571 /nfs/dbraw/zinc/22/15/71/195221571.db2.gz ULRRBUSHDHVFSQ-UHFFFAOYSA-N -1 1 475.397 5.696 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000020766382 195221729 /nfs/dbraw/zinc/22/17/29/195221729.db2.gz KRAZYIDNGGHMIZ-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766816 195222230 /nfs/dbraw/zinc/22/22/30/195222230.db2.gz VXDLEUSYQPFRRK-UHFFFAOYSA-N -1 1 458.942 5.181 40 0 JKABMM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc21 ZINC000020767204 195222580 /nfs/dbraw/zinc/22/25/80/195222580.db2.gz PJZQOLFBZOQBPE-UHFFFAOYSA-N -1 1 495.815 6.041 40 0 JKABMM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000021305666 195293592 /nfs/dbraw/zinc/29/35/92/195293592.db2.gz XJGWKMOXHBXLSO-UHFFFAOYSA-N -1 1 481.357 5.064 40 0 JKABMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC000021306125 195293665 /nfs/dbraw/zinc/29/36/65/195293665.db2.gz ZKPMWGOIQZXOKG-INIZCTEOSA-N -1 1 493.412 5.817 40 0 JKABMM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000021305951 195293789 /nfs/dbraw/zinc/29/37/89/195293789.db2.gz OYVFWLFFWUVMRX-IZZDOVSWSA-N -1 1 461.370 5.755 40 0 JKABMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000021306117 195293804 /nfs/dbraw/zinc/29/38/04/195293804.db2.gz FVIAYMAWZWSCKN-HNNXBMFYSA-N -1 1 479.385 5.509 40 0 JKABMM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306187 195294049 /nfs/dbraw/zinc/29/40/49/195294049.db2.gz MMUMUGIIPKIBHX-AWEZNQCLSA-N -1 1 495.384 5.209 40 0 JKABMM O=C([O-])C(=Cc1ccccc1OCc1ccccc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635008 195483230 /nfs/dbraw/zinc/48/32/30/195483230.db2.gz WKZZDQXEEWURLV-STZFKDTASA-N -1 1 463.946 5.922 40 0 JKABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000020455807 521221779 /nfs/dbraw/zinc/22/17/79/521221779.db2.gz UMKVFQUJSNJECQ-HXUWFJFHSA-N -1 1 466.603 5.302 40 0 JKABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000020492987 521221822 /nfs/dbraw/zinc/22/18/22/521221822.db2.gz NLQJLPCZMXIVTO-HXUWFJFHSA-N -1 1 466.603 5.302 40 0 JKABMM CCSc1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020461045 521778200 /nfs/dbraw/zinc/77/82/00/521778200.db2.gz WFHHKKLVEPRFLJ-UHFFFAOYSA-N -1 1 461.008 5.814 40 0 JKABMM COC(=O)c1cc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)ccc1Cl ZINC000020459344 521889376 /nfs/dbraw/zinc/88/93/76/521889376.db2.gz HSWQYAFRMATLJR-UHFFFAOYSA-N -1 1 493.368 5.142 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc(OC)cc1 ZINC000044949980 522530888 /nfs/dbraw/zinc/53/08/88/522530888.db2.gz RVZTYTHSXWNDOP-QHCPKHFHSA-N -1 1 466.603 5.302 40 0 JKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000044903670 522867987 /nfs/dbraw/zinc/86/79/87/522867987.db2.gz BSAHYTWIWHBEGY-QHCPKHFHSA-N -1 1 487.021 5.862 40 0 JKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020458151 522871154 /nfs/dbraw/zinc/87/11/54/522871154.db2.gz QFCLOQUVJPFNOJ-DEOSSOPVSA-N -1 1 487.021 5.862 40 0 JKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000044839656 522872822 /nfs/dbraw/zinc/87/28/22/522872822.db2.gz RJBZRNYPTFKXPV-VWLOTQADSA-N -1 1 466.603 5.517 40 0 JKABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020460012 522875065 /nfs/dbraw/zinc/87/50/65/522875065.db2.gz SBLNLVDHTTWMIS-QFIPXVFZSA-N -1 1 476.957 5.384 40 0 JKABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020494438 522875126 /nfs/dbraw/zinc/87/51/26/522875126.db2.gz NUXLSJANMCRONF-NRFANRHFSA-N -1 1 496.482 5.441 40 0 JKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020456540 522883068 /nfs/dbraw/zinc/88/30/68/522883068.db2.gz AQJSSMBCQXOAQQ-QFIPXVFZSA-N -1 1 493.412 5.899 40 0 JKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000022515208 522883537 /nfs/dbraw/zinc/88/35/37/522883537.db2.gz KZYCUVHVFKYSFI-QHCPKHFHSA-N -1 1 452.576 5.209 40 0 JKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044945955 522883705 /nfs/dbraw/zinc/88/37/05/522883705.db2.gz AUFLYWFFLBXOCA-NRFANRHFSA-N -1 1 479.385 5.590 40 0 JKABMM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000022531344 522893709 /nfs/dbraw/zinc/89/37/09/522893709.db2.gz AMADAFZMCZHXTH-QFIPXVFZSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020486491 522897001 /nfs/dbraw/zinc/89/70/01/522897001.db2.gz YTKDRHLUBFZHPZ-NRFANRHFSA-N -1 1 493.412 5.899 40 0 JKABMM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020456539 523053202 /nfs/dbraw/zinc/05/32/02/523053202.db2.gz AQJSSMBCQXOAQQ-JOCHJYFZSA-N -1 1 493.412 5.899 40 0 JKABMM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000020452073 523055145 /nfs/dbraw/zinc/05/51/45/523055145.db2.gz HXUOKLPVUZOQKF-RUZDIDTESA-N -1 1 474.582 5.745 40 0 JKABMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000022524715 523058833 /nfs/dbraw/zinc/05/88/33/523058833.db2.gz UVPBAFJCURVYQS-OAQYLSRUSA-N -1 1 458.967 5.245 40 0 JKABMM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000044885948 523909505 /nfs/dbraw/zinc/90/95/05/523909505.db2.gz HTBAJJNUVAJFBG-UHFFFAOYSA-N -1 1 498.910 5.349 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2C)c1 ZINC000044947943 524160057 /nfs/dbraw/zinc/16/00/57/524160057.db2.gz PXKUSSZQNJAWEH-LJAQVGFWSA-N -1 1 498.648 6.240 40 0 JKABMM Cc1ccc(CSCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020490210 524646414 /nfs/dbraw/zinc/64/64/14/524646414.db2.gz QOUVHWRBUXVGCZ-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1C ZINC000020491253 524774842 /nfs/dbraw/zinc/77/48/42/524774842.db2.gz ZGHYZSKLVFSCIS-INIZCTEOSA-N -1 1 493.412 5.817 40 0 JKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000022510732 525113889 /nfs/dbraw/zinc/11/38/89/525113889.db2.gz HVDCKTQGVIJHKS-GOSISDBHSA-N -1 1 470.616 5.232 40 0 JKABMM Cc1ccccc1CSCCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044841438 525183272 /nfs/dbraw/zinc/18/32/72/525183272.db2.gz RFBMNZGVTFZVIK-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1ccccc1[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000020459491 525372583 /nfs/dbraw/zinc/37/25/83/525372583.db2.gz PDOYTTWFDGFXHI-SANMLTNESA-N -1 1 456.567 5.315 40 0 JKABMM Cc1ccccc1[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000020489750 525428614 /nfs/dbraw/zinc/42/86/14/525428614.db2.gz QVSNXRCIXFQUNZ-AREMUKBSSA-N -1 1 456.567 5.315 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3)c(Cl)c2)cc1 ZINC000020462163 525599667 /nfs/dbraw/zinc/59/96/67/525599667.db2.gz UJJKUODDFUANEX-XMMPIXPASA-N -1 1 471.022 5.966 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(Cl)cccc3Cl)c(Cl)c2)cc1 ZINC000044846643 525600086 /nfs/dbraw/zinc/60/00/86/525600086.db2.gz AJGNIJDRQJXGES-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000044845069 525600197 /nfs/dbraw/zinc/60/01/97/525600197.db2.gz CYZGGRPJRKNVAT-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)c(Cl)c2)cc1 ZINC000044900357 525600599 /nfs/dbraw/zinc/60/05/99/525600599.db2.gz AGEHWVAEXMYOSV-SFHVURJKSA-N -1 1 456.995 5.557 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3cccc(OC(C)C)c3)c2)cc1 ZINC000044946921 525602287 /nfs/dbraw/zinc/60/22/87/525602287.db2.gz KTLMMECWTCYLLU-UHFFFAOYSA-N -1 1 472.994 5.166 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H](C)c3ccc(C)cc3C)c2)cc1 ZINC000022532077 525602501 /nfs/dbraw/zinc/60/25/01/525602501.db2.gz RARGZJNSICQQKO-GOSISDBHSA-N -1 1 456.995 5.557 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc4ccccc43)c2)cc1 ZINC000044899976 525602707 /nfs/dbraw/zinc/60/27/07/525602707.db2.gz ZLIWRHRKKSFDTF-UHFFFAOYSA-N -1 1 450.947 5.855 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(OC(C)C)cc3)c2)cc1 ZINC000044884667 525603054 /nfs/dbraw/zinc/60/30/54/525603054.db2.gz IDBLQCGXMDMXMF-UHFFFAOYSA-N -1 1 458.967 5.489 40 0 JKABMM Cc1ccc(SCCNC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000022516950 525659020 /nfs/dbraw/zinc/65/90/20/525659020.db2.gz DGTCLYOTCCBZMC-UHFFFAOYSA-N -1 1 475.035 5.280 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000020488793 525778525 /nfs/dbraw/zinc/77/85/25/525778525.db2.gz YQECDBFKVWZEFH-SFHVURJKSA-N -1 1 487.021 5.979 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000020458448 525779897 /nfs/dbraw/zinc/77/98/97/525779897.db2.gz CQNKKBXDJVZUGS-HNNXBMFYSA-N -1 1 479.385 5.509 40 0 JKABMM COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c([O-])c1 ZINC000022749709 526215782 /nfs/dbraw/zinc/21/57/82/526215782.db2.gz FKTRHSOTRHQWRP-UHFFFAOYSA-N -1 1 491.569 5.468 40 0 JKABMM O=C(NCCCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000022514077 526272687 /nfs/dbraw/zinc/27/26/87/526272687.db2.gz YWGLQBCTULNVBB-UHFFFAOYSA-N -1 1 463.386 5.157 40 0 JKABMM O=C([O-])c1ccc(CNCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016401611 526367588 /nfs/dbraw/zinc/36/75/88/526367588.db2.gz RDJXTNYFGUYPPR-UHFFFAOYSA-N -1 1 495.200 6.323 40 0 JKABMM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016401615 526367647 /nfs/dbraw/zinc/36/76/47/526367647.db2.gz ZCJBSYDFGZYWPX-UHFFFAOYSA-N -1 1 450.749 6.214 40 0 JKABMM O=C(NCCSCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020456873 526371452 /nfs/dbraw/zinc/37/14/52/526371452.db2.gz DZPNLXOFLWIPRQ-UHFFFAOYSA-N -1 1 495.453 5.457 40 0 JKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000044900940 527254133 /nfs/dbraw/zinc/25/41/33/527254133.db2.gz BKCNKZKMRSKVDD-UHFFFAOYSA-N -1 1 480.567 5.081 40 0 JKABMM O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020458626 527408626 /nfs/dbraw/zinc/40/86/26/527408626.db2.gz GMOIWVZJINXMBU-UHFFFAOYSA-N -1 1 498.004 5.019 40 0 JKABMM O=C(Nc1ccccc1Oc1ccccc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044843468 527434157 /nfs/dbraw/zinc/43/41/57/527434157.db2.gz SQEYJHBJFWAVTK-UHFFFAOYSA-N -1 1 478.957 6.185 40 0 JKABMM CN(C(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000003067716 554425518 /nfs/dbraw/zinc/42/55/18/554425518.db2.gz SHHXPBBNCPATKH-WCQYABFASA-N -1 1 464.233 5.553 40 0 JKABMM COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000003146812 554427724 /nfs/dbraw/zinc/42/77/24/554427724.db2.gz URYXCOBXYANSDC-UHFFFAOYSA-N -1 1 481.335 6.365 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1Cl ZINC000008810067 554689152 /nfs/dbraw/zinc/68/91/52/554689152.db2.gz YSNAWHWFDFJLPL-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1F)c1ccc(Cl)cc1 ZINC000008810072 554689197 /nfs/dbraw/zinc/68/91/97/554689197.db2.gz KKOPDZDERMZFMP-UHFFFAOYSA-N -1 1 473.740 5.839 40 0 JKABMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810144 554689420 /nfs/dbraw/zinc/68/94/20/554689420.db2.gz DYTMOCFSWUCGII-UHFFFAOYSA-N -1 1 460.958 5.964 40 0 JKABMM CSc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c1 ZINC000008810099 554689516 /nfs/dbraw/zinc/68/95/16/554689516.db2.gz FJLSGJVLSNOKGQ-UHFFFAOYSA-N -1 1 450.944 5.254 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1F)c1cccc(Cl)c1 ZINC000008810240 554689583 /nfs/dbraw/zinc/68/95/83/554689583.db2.gz JWMGFCJBIDKEIS-UHFFFAOYSA-N -1 1 472.847 5.551 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1F)c1cccc(Cl)c1 ZINC000008810221 554689708 /nfs/dbraw/zinc/68/97/08/554689708.db2.gz LDFDEASMNJGQJV-UHFFFAOYSA-N -1 1 483.746 5.295 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1F)c1cccc(Cl)c1 ZINC000008810232 554689713 /nfs/dbraw/zinc/68/97/13/554689713.db2.gz JIXPCASOSMPWKT-UHFFFAOYSA-N -1 1 473.740 5.839 40 0 JKABMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810303 554689968 /nfs/dbraw/zinc/68/99/68/554689968.db2.gz QRUDVPWQKQGKBW-UHFFFAOYSA-N -1 1 460.958 5.964 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1F)c1ccccc1Cl ZINC000008810380 554689982 /nfs/dbraw/zinc/68/99/82/554689982.db2.gz WLKCTFIAPHWFAF-UHFFFAOYSA-N -1 1 483.746 5.295 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1F)c1ccccc1Cl ZINC000008810399 554690195 /nfs/dbraw/zinc/69/01/95/554690195.db2.gz GMJAKOLVKBSYAR-UHFFFAOYSA-N -1 1 472.847 5.551 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810384 554690160 /nfs/dbraw/zinc/69/01/60/554690160.db2.gz USNYYPDWXGLAEM-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1F)c1ccccc1Cl ZINC000008810390 554690166 /nfs/dbraw/zinc/69/01/66/554690166.db2.gz SNHOPUIAXNAVIC-UHFFFAOYSA-N -1 1 473.740 5.839 40 0 JKABMM CSc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1 ZINC000008810417 554690227 /nfs/dbraw/zinc/69/02/27/554690227.db2.gz WHEIEDBPLRCSFU-UHFFFAOYSA-N -1 1 450.944 5.254 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1F)c1ccccc1Cl ZINC000008810408 554690249 /nfs/dbraw/zinc/69/02/49/554690249.db2.gz YVNFMIPGTIUXCT-UHFFFAOYSA-N -1 1 496.947 6.325 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1 ZINC000008810517 554690422 /nfs/dbraw/zinc/69/04/22/554690422.db2.gz KKXNLBISTXZTGA-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810548 554690758 /nfs/dbraw/zinc/69/07/58/554690758.db2.gz QXLOTISNTDZHKW-UHFFFAOYSA-N -1 1 491.730 5.978 40 0 JKABMM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810527 554690793 /nfs/dbraw/zinc/69/07/93/554690793.db2.gz RHUKVHXUJFICNN-UHFFFAOYSA-N -1 1 467.349 5.748 40 0 JKABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1 ZINC000008810570 554691025 /nfs/dbraw/zinc/69/10/25/554691025.db2.gz XDGSZLAIPHLMKC-UHFFFAOYSA-N -1 1 481.332 5.388 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1F)c1ccccc1F ZINC000008810698 554691174 /nfs/dbraw/zinc/69/11/74/554691174.db2.gz KTIIBSWRQCXILM-UHFFFAOYSA-N -1 1 494.519 5.597 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1F)c1ccc(F)cc1 ZINC000008810855 554691557 /nfs/dbraw/zinc/69/15/57/554691557.db2.gz LLMVEPSWIFHIEL-UHFFFAOYSA-N -1 1 456.392 5.037 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)cc3[O-])oc2c(C)c1 ZINC000008833339 554730847 /nfs/dbraw/zinc/73/08/47/554730847.db2.gz MREWRLKLIPVYBR-UHFFFAOYSA-N -1 1 475.570 5.731 40 0 JKABMM CCC(C)(C)[C@@H]1CC[C@@H]2Oc3c(cc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)c4ccccc34)[C@@H]2C1 ZINC000008834310 554732003 /nfs/dbraw/zinc/73/20/03/554732003.db2.gz XSBUJIPBMPLAHN-ZNFSXRAMSA-N -1 1 491.697 7.845 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5cc4OC)cc3[O-])nc2c1 ZINC000008835145 554733531 /nfs/dbraw/zinc/73/35/31/554733531.db2.gz TZWJBAIFHCEYON-UHFFFAOYSA-N -1 1 497.576 6.051 40 0 JKABMM CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)cc1 ZINC000008835153 554733564 /nfs/dbraw/zinc/73/35/64/554733564.db2.gz XQCQIMXOSPOCAT-UHFFFAOYSA-N -1 1 495.988 6.015 40 0 JKABMM CCC(C)(C)[C@@H]1CC[C@H]2Oc3c(cc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)c4ccccc34)[C@@H]2C1 ZINC000008835899 554735468 /nfs/dbraw/zinc/73/54/68/554735468.db2.gz XSBUJIPBMPLAHN-AHCMPFEKSA-N -1 1 491.697 7.845 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915329 554808841 /nfs/dbraw/zinc/80/88/41/554808841.db2.gz KUYQRMQSFAKNDF-LQWHRVPQSA-N -1 1 499.272 5.357 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3[O-])oc2c1 ZINC000009064852 554883995 /nfs/dbraw/zinc/88/39/95/554883995.db2.gz MCNZRLUHHSZPDG-UHFFFAOYSA-N -1 1 451.935 5.597 40 0 JKABMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1 ZINC000009064871 554884037 /nfs/dbraw/zinc/88/40/37/554884037.db2.gz XNYGRLJPMIGRBX-UHFFFAOYSA-N -1 1 461.543 5.343 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc5ccccc5c4)cc3[O-])oc2c1 ZINC000009064861 554884047 /nfs/dbraw/zinc/88/40/47/554884047.db2.gz BGQBTYGZFNZNNK-UHFFFAOYSA-N -1 1 453.523 5.789 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3[O-])nc2c1 ZINC000009064877 554884161 /nfs/dbraw/zinc/88/41/61/554884161.db2.gz DPLIJPIGKNSEAT-UHFFFAOYSA-N -1 1 465.962 5.851 40 0 JKABMM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000013511598 555483286 /nfs/dbraw/zinc/48/32/86/555483286.db2.gz MCHXRCKPXYDWTL-HJOGWXRNSA-N -1 1 469.928 5.248 40 0 JKABMM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cn(C)c3ccccc23)cc1 ZINC000013513978 555484849 /nfs/dbraw/zinc/48/48/49/555484849.db2.gz DEHFZJUHONNBRJ-QKDODKLFSA-N -1 1 481.552 5.018 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000013563892 555498729 /nfs/dbraw/zinc/49/87/29/555498729.db2.gz KUYQRMQSFAKNDF-LVCYWYKZSA-N -1 1 499.272 5.357 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000013613528 555535393 /nfs/dbraw/zinc/53/53/93/555535393.db2.gz CQMORLQEOMBXES-FQEVSTJZSA-N -1 1 464.631 5.893 40 0 JKABMM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000019932488 555549799 /nfs/dbraw/zinc/54/97/99/555549799.db2.gz ZQVXISPHPJQDSH-SFHVURJKSA-N -1 1 472.994 5.472 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)cc1Cl ZINC000019933425 555550544 /nfs/dbraw/zinc/55/05/44/555550544.db2.gz ZAJFKHPKOIFQCB-UHFFFAOYSA-N -1 1 478.998 5.460 40 0 JKABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1C ZINC000013646306 555550783 /nfs/dbraw/zinc/55/07/83/555550783.db2.gz KPQWOJAGPYZADC-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000019933696 555551003 /nfs/dbraw/zinc/55/10/03/555551003.db2.gz LFLICCJNIMYYEF-QHCPKHFHSA-N -1 1 487.021 5.862 40 0 JKABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1C ZINC000013646861 555551164 /nfs/dbraw/zinc/55/11/64/555551164.db2.gz ZPLWQVWKSPCPRU-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c(C)c1 ZINC000013647545 555552016 /nfs/dbraw/zinc/55/20/16/555552016.db2.gz VSNGJLXDGROSFC-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000013658307 555555112 /nfs/dbraw/zinc/55/51/12/555555112.db2.gz ROOIBETVYZGEJE-QKDODKLFSA-N -1 1 464.521 5.290 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3F)ccc2C)c1 ZINC000013671842 555563489 /nfs/dbraw/zinc/56/34/89/555563489.db2.gz PBQATWBSZXMSPS-UHFFFAOYSA-N -1 1 486.634 5.215 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc2C)cc1 ZINC000013677766 555568578 /nfs/dbraw/zinc/56/85/78/555568578.db2.gz OTDKXGPEXVVULU-UHFFFAOYSA-N -1 1 498.048 5.028 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000013679790 555571669 /nfs/dbraw/zinc/57/16/69/555571669.db2.gz YFIVXLRAMKEQPX-UHFFFAOYSA-N -1 1 491.613 5.064 40 0 JKABMM CCOC(=O)c1c2c(sc1NC(=O)c1cccc([N-]S(=O)(=O)c3ccc(C)cc3)c1)CCCC2 ZINC000013681689 555575063 /nfs/dbraw/zinc/57/50/63/555575063.db2.gz AVHCXQUUJNPSTI-UHFFFAOYSA-N -1 1 498.626 5.165 40 0 JKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1C ZINC000013683433 555577343 /nfs/dbraw/zinc/57/73/43/555577343.db2.gz GZTPDOWYXTUSOT-UHFFFAOYSA-N -1 1 462.493 5.304 40 0 JKABMM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020034816 555609510 /nfs/dbraw/zinc/60/95/10/555609510.db2.gz PSNUYKJWZHFAJG-QFIPXVFZSA-N -1 1 472.994 5.554 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)cc1Cl ZINC000020037602 555611783 /nfs/dbraw/zinc/61/17/83/555611783.db2.gz MISFRCNNLQWDGO-GOSISDBHSA-N -1 1 472.994 5.472 40 0 JKABMM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000020043283 555615015 /nfs/dbraw/zinc/61/50/15/555615015.db2.gz CJKPZNMRCMUTMT-OAQYLSRUSA-N -1 1 488.609 5.972 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c2ccccc2)cc1 ZINC000020047230 555617573 /nfs/dbraw/zinc/61/75/73/555617573.db2.gz KBHHIWMBFRHMEW-HHHXNRCGSA-N -1 1 470.594 5.624 40 0 JKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020048264 555618174 /nfs/dbraw/zinc/61/81/74/555618174.db2.gz CBLAAKXDQJFOLR-UHFFFAOYSA-N -1 1 480.973 5.863 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000020049612 555619162 /nfs/dbraw/zinc/61/91/62/555619162.db2.gz MPFLVBDFYLYGBI-UHFFFAOYSA-N -1 1 495.453 5.975 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)cc2)cc1 ZINC000020050296 555619372 /nfs/dbraw/zinc/61/93/72/555619372.db2.gz VGWSNPZTFXYTHS-MHZLTWQESA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000010110513 555620570 /nfs/dbraw/zinc/62/05/70/555620570.db2.gz TVNMDNWVMDSCNZ-UHFFFAOYSA-N -1 1 450.604 5.084 40 0 JKABMM Cc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000010110519 555620588 /nfs/dbraw/zinc/62/05/88/555620588.db2.gz ZSEVFBRLEIIBTE-UHFFFAOYSA-N -1 1 450.604 5.084 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000010111977 555623849 /nfs/dbraw/zinc/62/38/49/555623849.db2.gz AIEZBWNLAPWAGL-IBGZPJMESA-N -1 1 450.604 5.584 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)cc1 ZINC000010112027 555624220 /nfs/dbraw/zinc/62/42/20/555624220.db2.gz FWSJCHVIRODFIH-FQEVSTJZSA-N -1 1 464.631 5.893 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000010112023 555624230 /nfs/dbraw/zinc/62/42/30/555624230.db2.gz AOFPKWJOQPBROP-IBGZPJMESA-N -1 1 450.604 5.584 40 0 JKABMM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020105627 555639357 /nfs/dbraw/zinc/63/93/57/555639357.db2.gz QVFVCSRONBPBLG-JOCHJYFZSA-N -1 1 493.412 5.899 40 0 JKABMM Cc1ccc(CCCNC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020105879 555639567 /nfs/dbraw/zinc/63/95/67/555639567.db2.gz OFJQVNNTBRHPSC-UHFFFAOYSA-N -1 1 456.995 5.120 40 0 JKABMM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020107993 555642585 /nfs/dbraw/zinc/64/25/85/555642585.db2.gz DZTSDFGZLBPSBE-UHFFFAOYSA-N -1 1 478.957 6.185 40 0 JKABMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020108922 555644350 /nfs/dbraw/zinc/64/43/50/555644350.db2.gz REIRXFFQOFRIFV-OAQYLSRUSA-N -1 1 493.412 5.899 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c2ccccc2)cc1 ZINC000020110239 555646198 /nfs/dbraw/zinc/64/61/98/555646198.db2.gz WEVHHUACELKNOJ-AREMUKBSSA-N -1 1 456.567 5.315 40 0 JKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020110947 555647538 /nfs/dbraw/zinc/64/75/38/555647538.db2.gz WRTSOHAOBRDPLH-HSZRJFAPSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020112142 555649373 /nfs/dbraw/zinc/64/93/73/555649373.db2.gz ASGXCDBYTPRXSS-NRFANRHFSA-N -1 1 497.375 5.729 40 0 JKABMM O=C(NCCSc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020112281 555649666 /nfs/dbraw/zinc/64/96/66/555649666.db2.gz DJTSGPPNJRTYIF-UHFFFAOYSA-N -1 1 481.426 5.316 40 0 JKABMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)ccc1Br ZINC000010314177 555679491 /nfs/dbraw/zinc/67/94/91/555679491.db2.gz VWBHEDVRCKPSKL-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SCc3ccccc3)cc2)c1 ZINC000010314249 555679509 /nfs/dbraw/zinc/67/95/09/555679509.db2.gz UQPGACHUMWSXDU-UHFFFAOYSA-N -1 1 488.634 6.340 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3Sc3ccccc3)c2)cc1 ZINC000010314283 555679626 /nfs/dbraw/zinc/67/96/26/555679626.db2.gz LWDREHDWDPMOKC-UHFFFAOYSA-N -1 1 474.607 6.199 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2C)cc1 ZINC000010314298 555679735 /nfs/dbraw/zinc/67/97/35/555679735.db2.gz FABDORQXVZLDLB-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1cc(C(=O)NCCSCc2ccccc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314418 555679768 /nfs/dbraw/zinc/67/97/68/555679768.db2.gz QLKJQFAMWMTBJO-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(Br)c3)ccc2C)cc1 ZINC000010314419 555679822 /nfs/dbraw/zinc/67/98/22/555679822.db2.gz ZZYKESCZVVSSOI-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2C)cc1 ZINC000010314470 555680132 /nfs/dbraw/zinc/68/01/32/555680132.db2.gz YRAAMKIUOKFJNZ-UHFFFAOYSA-N -1 1 456.567 6.024 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(Br)c3)c2C)cc1 ZINC000010314648 555680570 /nfs/dbraw/zinc/68/05/70/555680570.db2.gz VMTKESCDDUFOFB-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM Cc1ccc(CSCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010314701 555680589 /nfs/dbraw/zinc/68/05/89/555680589.db2.gz UWSFLNJYNNLPHI-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc1 ZINC000010314826 555680794 /nfs/dbraw/zinc/68/07/94/555680794.db2.gz CAJHDBRGZVCICR-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 ZINC000010314744 555680874 /nfs/dbraw/zinc/68/08/74/555680874.db2.gz KGPXMFLHZJELKO-UHFFFAOYSA-N -1 1 450.604 5.665 40 0 JKABMM CCCCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010314802 555680973 /nfs/dbraw/zinc/68/09/73/555680973.db2.gz MHTVVEMUMZUSKV-UHFFFAOYSA-N -1 1 466.559 5.005 40 0 JKABMM COc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c(OC)cc1Cl ZINC000010315016 555681347 /nfs/dbraw/zinc/68/13/47/555681347.db2.gz HXXIYGUQWGQGDL-UHFFFAOYSA-N -1 1 474.966 5.027 40 0 JKABMM Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315064 555681706 /nfs/dbraw/zinc/68/17/06/555681706.db2.gz IKODWXDYOHZJQS-UHFFFAOYSA-N -1 1 470.594 5.638 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3C)cc2C)cc1 ZINC000010315257 555681838 /nfs/dbraw/zinc/68/18/38/555681838.db2.gz IBLHGTUQMWRYOB-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2C)cc1 ZINC000010315222 555681909 /nfs/dbraw/zinc/68/19/09/555681909.db2.gz CLAOVOJGRLDYRP-UHFFFAOYSA-N -1 1 484.621 5.947 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)c2)cc1 ZINC000010329388 555686788 /nfs/dbraw/zinc/68/67/88/555686788.db2.gz VHTOXPJXOXLRGF-UHFFFAOYSA-N -1 1 491.613 5.111 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Br)cc3)ccc2C)cc1 ZINC000010331189 555687634 /nfs/dbraw/zinc/68/76/34/555687634.db2.gz CJCVIYSZTYWFSS-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSCc1ccccc1Cl ZINC000010332976 555688853 /nfs/dbraw/zinc/68/88/53/555688853.db2.gz PQJBTDWQKUNNHM-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSCc1ccc(Cl)cc1 ZINC000010333965 555689455 /nfs/dbraw/zinc/68/94/55/555689455.db2.gz WZCXFBGOKOLRTJ-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccc2C)cc1 ZINC000010335944 555691029 /nfs/dbraw/zinc/69/10/29/555691029.db2.gz CXPGGISRHOXSFS-UHFFFAOYSA-N -1 1 482.911 6.029 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3Sc3ccccc3)c2C)cc1 ZINC000010359865 555696523 /nfs/dbraw/zinc/69/65/23/555696523.db2.gz CLCUNYHXTJQCHK-UHFFFAOYSA-N -1 1 488.634 6.508 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)c1 ZINC000010364404 555697689 /nfs/dbraw/zinc/69/76/89/555697689.db2.gz MQVUIJMGUIATAD-UHFFFAOYSA-N -1 1 450.604 5.799 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2C)cc1 ZINC000010368775 555698763 /nfs/dbraw/zinc/69/87/63/555698763.db2.gz OLUBPSVSUOTFAJ-UHFFFAOYSA-N -1 1 482.911 6.029 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2C)cc1 ZINC000010369030 555699038 /nfs/dbraw/zinc/69/90/38/555699038.db2.gz BDGRSUKBLWDNNO-UHFFFAOYSA-N -1 1 463.386 5.341 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010371470 555699982 /nfs/dbraw/zinc/69/99/82/555699982.db2.gz FBZAJYUDQDFIHD-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000014153368 555709316 /nfs/dbraw/zinc/70/93/16/555709316.db2.gz ZRVJCUCESULBSJ-UHFFFAOYSA-N -1 1 469.872 5.804 40 0 JKABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)ccc1Cl ZINC000014153893 555710275 /nfs/dbraw/zinc/71/02/75/555710275.db2.gz ZWSFFCJWLTZUDO-UHFFFAOYSA-N -1 1 486.977 5.105 40 0 JKABMM O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000014153771 555710375 /nfs/dbraw/zinc/71/03/75/555710375.db2.gz LMRLBGQTOJIKLP-UHFFFAOYSA-N -1 1 464.971 5.152 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C)cc1C ZINC000014154533 555711905 /nfs/dbraw/zinc/71/19/05/555711905.db2.gz LNVLWTFYFCZVNM-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2C)cc1 ZINC000014154542 555711926 /nfs/dbraw/zinc/71/19/26/555711926.db2.gz YHQZJLHVRSQOCF-UHFFFAOYSA-N -1 1 473.392 5.427 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2C)c1C ZINC000014155435 555713725 /nfs/dbraw/zinc/71/37/25/555713725.db2.gz JETXJKCEKNRTGF-UHFFFAOYSA-N -1 1 460.665 5.208 40 0 JKABMM Cc1cccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000014155870 555714734 /nfs/dbraw/zinc/71/47/34/555714734.db2.gz RVSGOQDLEUIOCB-UHFFFAOYSA-N -1 1 482.671 5.384 40 0 JKABMM O=c1cc(-c2ccccc2)nc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)[n-]1 ZINC000010493692 555720906 /nfs/dbraw/zinc/72/09/06/555720906.db2.gz XVSVNEAIJFRLAM-UHFFFAOYSA-N -1 1 457.942 5.750 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)cc3[O-])nc2c1 ZINC000014270215 555761410 /nfs/dbraw/zinc/76/14/10/555761410.db2.gz OKUFQRPLPDOEFN-UHFFFAOYSA-N -1 1 465.962 5.472 40 0 JKABMM COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1 ZINC000014270184 555761467 /nfs/dbraw/zinc/76/14/67/555761467.db2.gz GAOTTZRLXDZWOP-IZZDOVSWSA-N -1 1 473.554 5.352 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)cc3[O-])nc2c1 ZINC000014270206 555761558 /nfs/dbraw/zinc/76/15/58/555761558.db2.gz XUWSXOVMISAYOL-UHFFFAOYSA-N -1 1 459.571 6.013 40 0 JKABMM COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1Cl ZINC000014270144 555761640 /nfs/dbraw/zinc/76/16/40/555761640.db2.gz JXISITCBRKQCCZ-UHFFFAOYSA-N -1 1 467.934 5.298 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(Br)c4)cc3[O-])oc2c1 ZINC000014275013 555779020 /nfs/dbraw/zinc/77/90/20/555779020.db2.gz QIRXPCKALWDGCX-UHFFFAOYSA-N -1 1 482.359 5.398 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)cc3[O-])oc2c1 ZINC000014275032 555779029 /nfs/dbraw/zinc/77/90/29/555779029.db2.gz GPBXSCYVFHISLP-UHFFFAOYSA-N -1 1 487.968 6.442 40 0 JKABMM O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1ccc2ccccc2c1 ZINC000014275096 555779318 /nfs/dbraw/zinc/77/93/18/555779318.db2.gz IYJFCCHSDORIQY-UHFFFAOYSA-N -1 1 473.941 6.134 40 0 JKABMM CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1 ZINC000014275050 555779353 /nfs/dbraw/zinc/77/93/53/555779353.db2.gz FTGISCCXXXHXNF-UHFFFAOYSA-N -1 1 489.597 6.123 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(Cl)ccc4OC)cc3[O-])nc2c1 ZINC000014275080 555779399 /nfs/dbraw/zinc/77/93/99/555779399.db2.gz PZEZPWXYSUVZLF-UHFFFAOYSA-N -1 1 481.961 5.552 40 0 JKABMM CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c([O-])c2)c1 ZINC000014275078 555779430 /nfs/dbraw/zinc/77/94/30/555779430.db2.gz AQLGQWLWJCFDQT-UHFFFAOYSA-N -1 1 475.570 5.678 40 0 JKABMM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000014275051 555779459 /nfs/dbraw/zinc/77/94/59/555779459.db2.gz GHAGZLYQDRESPS-UHFFFAOYSA-N -1 1 481.961 5.606 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c1 ZINC000014396585 555802215 /nfs/dbraw/zinc/80/22/15/555802215.db2.gz UMHSKFVMPLRKQP-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000014396835 555802522 /nfs/dbraw/zinc/80/25/22/555802522.db2.gz KKPLIEMHIVJIRH-HNNXBMFYSA-N -1 1 479.385 5.509 40 0 JKABMM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000014396799 555802556 /nfs/dbraw/zinc/80/25/56/555802556.db2.gz BFKUYCYTLTWITI-UHFFFAOYSA-N -1 1 452.576 5.210 40 0 JKABMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000014399228 555804891 /nfs/dbraw/zinc/80/48/91/555804891.db2.gz FFVMQTRJDLHVSC-AWEZNQCLSA-N -1 1 465.358 5.200 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)c1 ZINC000014399753 555805220 /nfs/dbraw/zinc/80/52/20/555805220.db2.gz UZDWBDHJQYYGHC-GOSISDBHSA-N -1 1 472.994 5.472 40 0 JKABMM O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000014400532 555806187 /nfs/dbraw/zinc/80/61/87/555806187.db2.gz DHHKSWZEDIXHBZ-UHFFFAOYSA-N -1 1 460.555 5.438 40 0 JKABMM [O-]c1cccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)c1Cl ZINC000015015910 555856477 /nfs/dbraw/zinc/85/64/77/555856477.db2.gz XAQZEDUWUZGIID-OAQYLSRUSA-N -1 1 483.380 6.346 40 0 JKABMM [O-]c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1Cl ZINC000015016014 555856850 /nfs/dbraw/zinc/85/68/50/555856850.db2.gz KAPYHPIPKPGEHX-NRFANRHFSA-N -1 1 483.380 6.346 40 0 JKABMM Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccc([O-])c(Cl)c2)Nc2ccccc2-3)cc1 ZINC000015016011 555856902 /nfs/dbraw/zinc/85/69/02/555856902.db2.gz WLEOTTRTGKLUDB-QFIPXVFZSA-N -1 1 462.962 6.001 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022109738 555876476 /nfs/dbraw/zinc/87/64/76/555876476.db2.gz FCBMARNOEMVPBW-UHFFFAOYSA-N -1 1 497.846 5.640 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000022109820 555876511 /nfs/dbraw/zinc/87/65/11/555876511.db2.gz OGWVOOWZJMQPDA-UHFFFAOYSA-N -1 1 451.365 5.117 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 ZINC000022109837 555876521 /nfs/dbraw/zinc/87/65/21/555876521.db2.gz YBDAKPZXVFDPRM-UHFFFAOYSA-N -1 1 495.418 5.516 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000022109994 555876849 /nfs/dbraw/zinc/87/68/49/555876849.db2.gz PKGWGXZRQIPUDD-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022110000 555876860 /nfs/dbraw/zinc/87/68/60/555876860.db2.gz LMUBTCAJHMHZBI-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM COc1cccc(CNn2c(=S)[n-]nc2-c2ccccc2)c1OCc1ccccc1Cl ZINC000022110021 555876875 /nfs/dbraw/zinc/87/68/75/555876875.db2.gz JYCLGGIEFPSBMV-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM Fc1ccc(COc2ccc(Br)cc2CNn2c(=S)[n-]nc2-c2ccccc2)cc1 ZINC000022110126 555876940 /nfs/dbraw/zinc/87/69/40/555876940.db2.gz UYLDEWYPOCMUOL-UHFFFAOYSA-N -1 1 485.382 5.832 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022109937 555876947 /nfs/dbraw/zinc/87/69/47/555876947.db2.gz VNZGXYMVJGFIGD-UHFFFAOYSA-N -1 1 453.395 5.531 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022110157 555877191 /nfs/dbraw/zinc/87/71/91/555877191.db2.gz RPKKJCTWPXHFGE-UHFFFAOYSA-N -1 1 466.994 5.982 40 0 JKABMM CCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022110364 555877218 /nfs/dbraw/zinc/87/72/18/555877218.db2.gz YCAJPJQMXFBTIX-UHFFFAOYSA-N -1 1 483.819 5.250 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000022110212 555877238 /nfs/dbraw/zinc/87/72/38/555877238.db2.gz UDZKWJKPBYLJCP-UHFFFAOYSA-N -1 1 470.957 5.731 40 0 JKABMM Fc1ccccc1COc1ccc2ccccc2c1CNn1c(=S)[n-]nc1-c1ccccc1 ZINC000022110247 555877329 /nfs/dbraw/zinc/87/73/29/555877329.db2.gz GWDKFYXKENDWCE-UHFFFAOYSA-N -1 1 456.546 6.223 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2CC)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022110419 555877571 /nfs/dbraw/zinc/87/75/71/555877571.db2.gz JFOFTMUHLVLOLK-UHFFFAOYSA-N -1 1 497.846 5.640 40 0 JKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022110555 555877581 /nfs/dbraw/zinc/87/75/81/555877581.db2.gz YOUTVWKMJRTDFO-UHFFFAOYSA-N -1 1 458.374 5.632 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022110609 555877591 /nfs/dbraw/zinc/87/75/91/555877591.db2.gz TUABUNPRYWFUAZ-UHFFFAOYSA-N -1 1 488.400 5.641 40 0 JKABMM CCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022110501 555877643 /nfs/dbraw/zinc/87/76/43/555877643.db2.gz FXJGYYAOOFXEES-UHFFFAOYSA-N -1 1 473.813 5.795 40 0 JKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022110686 555877971 /nfs/dbraw/zinc/87/79/71/555877971.db2.gz FECYDLWCMHMQOA-UHFFFAOYSA-N -1 1 473.989 6.132 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCc1ccccc1 ZINC000022110936 555878180 /nfs/dbraw/zinc/87/81/80/555878180.db2.gz OLMGSUNFRSSYIU-UHFFFAOYSA-N -1 1 467.982 5.377 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022111056 555878222 /nfs/dbraw/zinc/87/82/22/555878222.db2.gz KYWJNPMHLWVJMR-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022110966 555878241 /nfs/dbraw/zinc/87/82/41/555878241.db2.gz VUPOCNLHDWTOPU-UHFFFAOYSA-N -1 1 485.972 5.517 40 0 JKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022111081 555878272 /nfs/dbraw/zinc/87/82/72/555878272.db2.gz MEAOBRYMHFWYKF-UHFFFAOYSA-N -1 1 492.819 6.286 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCc1ccccc1F ZINC000022111044 555878310 /nfs/dbraw/zinc/87/83/10/555878310.db2.gz BFYMHDRHHFDGBJ-UHFFFAOYSA-N -1 1 471.945 5.126 40 0 JKABMM CCOc1cccc(CNn2c(=S)[n-]nc2-c2ccccc2OC)c1OCc1ccccc1 ZINC000022111467 555878693 /nfs/dbraw/zinc/87/86/93/555878693.db2.gz PMPXECMUXAMLDH-UHFFFAOYSA-N -1 1 462.575 5.338 40 0 JKABMM CCOc1cc(CNn2c(C)n[n-]c2=S)cc(Br)c1OCc1ccccc1Cl ZINC000022112355 555879178 /nfs/dbraw/zinc/87/91/78/555879178.db2.gz JTZJRUXLFAFBQD-UHFFFAOYSA-N -1 1 483.819 5.386 40 0 JKABMM O=C(Nc1cccc(Cl)c1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000022524202 555931177 /nfs/dbraw/zinc/93/11/77/555931177.db2.gz FTKPZWPJSOLXQS-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)ccc2N2CCCCC2)cc1 ZINC000012531842 556001829 /nfs/dbraw/zinc/00/18/29/556001829.db2.gz FTDNBAPYDSAPNP-HBMCJLEFSA-N -1 1 497.661 5.251 40 0 JKABMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccccc1Sc1ccc(Cl)cc1)C(=O)C2 ZINC000015913362 556066110 /nfs/dbraw/zinc/06/61/10/556066110.db2.gz DYSBQIKMDLUQGL-NYHFZMIOSA-N -1 1 450.025 5.628 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000016779576 556159150 /nfs/dbraw/zinc/15/91/50/556159150.db2.gz KRESNVHMRHFJRG-UHFFFAOYSA-N -1 1 482.989 5.878 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)cc2C ZINC000016779630 556159533 /nfs/dbraw/zinc/15/95/33/556159533.db2.gz SNZZAABHABLKRL-UHFFFAOYSA-N -1 1 497.016 6.187 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccccc1)cc2C ZINC000016807671 556162374 /nfs/dbraw/zinc/16/23/74/556162374.db2.gz ZGEPFOUDABGSHB-UHFFFAOYSA-N -1 1 462.571 5.533 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCCCC1 ZINC000026115773 556246017 /nfs/dbraw/zinc/24/60/17/556246017.db2.gz UPQJGZBZLCYTMA-UHFFFAOYSA-N -1 1 482.627 5.628 40 0 JKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCC4)c3)ccc21 ZINC000026115535 556246065 /nfs/dbraw/zinc/24/60/65/556246065.db2.gz HBHRDUUSMRGHFB-UHFFFAOYSA-N -1 1 493.654 5.573 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)N1CCC(C)CC1 ZINC000026119083 556248243 /nfs/dbraw/zinc/24/82/43/556248243.db2.gz DRIHRBNHYBNHHO-UHFFFAOYSA-N -1 1 460.665 5.513 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCCCC1 ZINC000026120516 556249187 /nfs/dbraw/zinc/24/91/87/556249187.db2.gz RAVPQZDNYBUBRZ-UHFFFAOYSA-N -1 1 472.554 5.244 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(=O)N1CCCCCC1 ZINC000026120639 556249228 /nfs/dbraw/zinc/24/92/28/556249228.db2.gz PRJSYOWPINOUFR-UHFFFAOYSA-N -1 1 462.637 5.013 40 0 JKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1cccc(C)c1 ZINC000026593488 556257823 /nfs/dbraw/zinc/25/78/23/556257823.db2.gz KCPBTAIRPFWEJY-UYRXBGFRSA-N -1 1 464.008 6.224 40 0 JKABMM O=C1[N-]C(=S)SC1=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000026607796 556258154 /nfs/dbraw/zinc/25/81/54/556258154.db2.gz VFRRFFZHMTUQEK-RZNTYIFUSA-N -1 1 465.210 7.208 40 0 JKABMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)Nc2ccccc2)c1 ZINC000026780169 556262170 /nfs/dbraw/zinc/26/21/70/556262170.db2.gz PXSGGCFWECCEHP-UHFFFAOYSA-N -1 1 480.590 5.130 40 0 JKABMM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000030754290 556372544 /nfs/dbraw/zinc/37/25/44/556372544.db2.gz XNJPHNFERLEYPL-JOCHJYFZSA-N -1 1 476.957 5.384 40 0 JKABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000030755341 556372914 /nfs/dbraw/zinc/37/29/14/556372914.db2.gz HBFQRKFUGAWPKT-XMMPIXPASA-N -1 1 495.000 6.090 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c2ccccc2)cc1 ZINC000030757687 556373819 /nfs/dbraw/zinc/37/38/19/556373819.db2.gz ZHXYFNJXTFULFI-LJAQVGFWSA-N -1 1 498.648 6.240 40 0 JKABMM O=C(Nc1ccc(Br)cc1F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030757626 556373928 /nfs/dbraw/zinc/37/39/28/556373928.db2.gz FVQOCJRXBUPTAP-UHFFFAOYSA-N -1 1 483.746 5.295 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c(Cl)c1 ZINC000030852481 556378134 /nfs/dbraw/zinc/37/81/34/556378134.db2.gz OABXDQPPGNMYDY-UHFFFAOYSA-N -1 1 493.368 5.223 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)c(C)c3)c(Cl)c2)cc1 ZINC000030855499 556379758 /nfs/dbraw/zinc/37/97/58/556379758.db2.gz FRMLKIFFGKNWIQ-UHFFFAOYSA-N -1 1 493.810 5.772 40 0 JKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000030860684 556381484 /nfs/dbraw/zinc/38/14/84/556381484.db2.gz FGZKXFFOIBQUAZ-JOCHJYFZSA-N -1 1 475.035 5.959 40 0 JKABMM Cc1ccccc1CSCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030873440 556385765 /nfs/dbraw/zinc/38/57/65/556385765.db2.gz DHKJRNXZLCAGSV-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 ZINC000032204015 556433750 /nfs/dbraw/zinc/43/37/50/556433750.db2.gz JIFAVHZGLDQNSP-UHFFFAOYSA-N -1 1 473.710 5.634 40 0 JKABMM COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CC4(CC(=O)[O-])CCCC4)C=C3C)[nH]c2c1 ZINC000072321017 560077755 /nfs/dbraw/zinc/07/77/55/560077755.db2.gz MTOMSZJVJGJEDF-FUDKSRODSA-N -1 1 495.664 5.510 40 0 biogenic,in-vitro JKABMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3[O-])nc2c1 ZINC000057316154 569597494 /nfs/dbraw/zinc/59/74/94/569597494.db2.gz HBLUUSSYLZSPFN-GXDHUFHOSA-N -1 1 495.560 6.295 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008735681 569602030 /nfs/dbraw/zinc/60/20/30/569602030.db2.gz LCFQAVXMORLZAL-BBTUJRGHSA-N -1 1 499.272 5.357 40 0 JKABMM O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1)c1ccc(O)cc1 ZINC000059417598 569602806 /nfs/dbraw/zinc/60/28/06/569602806.db2.gz ZVLSCMWVKZTSPJ-UHFFFAOYSA-N -1 1 491.015 5.431 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2C)c1 ZINC000033375412 569625295 /nfs/dbraw/zinc/62/52/95/569625295.db2.gz YZAAVKCFCFEXDM-UHFFFAOYSA-N -1 1 473.392 5.427 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1C ZINC000033403868 569625899 /nfs/dbraw/zinc/62/58/99/569625899.db2.gz XSBAZABMCRQSJN-UHFFFAOYSA-N -1 1 472.566 6.149 40 0 JKABMM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)NC2=S)cc1 ZINC000033407223 569625989 /nfs/dbraw/zinc/62/59/89/569625989.db2.gz MWJFBDFDZCYXRY-DEDYPNTBSA-N -1 1 460.511 5.187 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2C)c1C ZINC000033645681 569629445 /nfs/dbraw/zinc/62/94/45/569629445.db2.gz VMCOPAWRNHOWCX-UHFFFAOYSA-N -1 1 473.392 5.427 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2C)cc1 ZINC000033658364 569630004 /nfs/dbraw/zinc/63/00/04/569630004.db2.gz TTWFBWZQYMIGTP-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2C)c1 ZINC000034719633 569652299 /nfs/dbraw/zinc/65/22/99/569652299.db2.gz BHUSNEWWUYLNME-UHFFFAOYSA-N -1 1 498.648 6.255 40 0 JKABMM O=C([O-])C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1 ZINC000066098695 569677106 /nfs/dbraw/zinc/67/71/06/569677106.db2.gz GVXGVDIXINMAAL-UHFFFAOYSA-N -1 1 450.510 5.349 40 0 in-vitro JKABMM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000096791727 569743038 /nfs/dbraw/zinc/74/30/38/569743038.db2.gz GXPWKMBLSASAPE-QKDODKLFSA-N -1 1 486.568 5.234 40 0 JKABMM O=C1[N-]C(=S)NC1=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000100396842 569758874 /nfs/dbraw/zinc/75/88/74/569758874.db2.gz CKGZBGXUXDSNFT-JCMHNJIXSA-N -1 1 455.970 5.810 40 0 JKABMM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1Cl ZINC000100935332 569776561 /nfs/dbraw/zinc/77/65/61/569776561.db2.gz KGDAWQUMZNCGLS-NXCFDTQHSA-N -1 1 468.940 5.853 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC ZINC000038752375 569806460 /nfs/dbraw/zinc/80/64/60/569806460.db2.gz YBAQURCLEZQDLY-UHFFFAOYSA-N -1 1 453.560 5.033 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2C)c(C)c1 ZINC000038754497 569806808 /nfs/dbraw/zinc/80/68/08/569806808.db2.gz PYULUBFTYUUFLG-UHFFFAOYSA-N -1 1 466.603 5.130 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000038756374 569807217 /nfs/dbraw/zinc/80/72/17/569807217.db2.gz LVRXJXYNQTXVKH-OAHLLOKOSA-N -1 1 479.385 5.509 40 0 JKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000038756787 569807375 /nfs/dbraw/zinc/80/73/75/569807375.db2.gz DZKHAWFENQTAKI-OAHLLOKOSA-N -1 1 477.007 5.269 40 0 JKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000038772109 569807624 /nfs/dbraw/zinc/80/76/24/569807624.db2.gz RULPSQRJDLGWIV-QHCPKHFHSA-N -1 1 452.576 5.209 40 0 JKABMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000038772501 569807746 /nfs/dbraw/zinc/80/77/46/569807746.db2.gz VDCNNZDSQFEGBU-HSZRJFAPSA-N -1 1 452.576 5.209 40 0 JKABMM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707292 569816612 /nfs/dbraw/zinc/81/66/12/569816612.db2.gz MJOIKRDLSPNTGC-DSITVLBTSA-N -1 1 454.913 5.544 40 0 JKABMM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102750879 569820764 /nfs/dbraw/zinc/82/07/64/569820764.db2.gz WYSNQLAPGDPWBR-KWXIBIRDSA-N -1 1 486.568 5.234 40 0 JKABMM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102749607 569820917 /nfs/dbraw/zinc/82/09/17/569820917.db2.gz RWOJXXMELXBCQV-KWXIBIRDSA-N -1 1 486.568 5.234 40 0 JKABMM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102759281 569821550 /nfs/dbraw/zinc/82/15/50/569821550.db2.gz XYZIWRRLWQCUOS-KWXIBIRDSA-N -1 1 486.568 5.098 40 0 JKABMM Cc1nc2nc(N3c4ccccc4C[C@@H]3C)[n-]c(=O)c2c(=S)n1-c1ccc(Cl)c(Cl)c1 ZINC000040386936 569824356 /nfs/dbraw/zinc/82/43/56/569824356.db2.gz APYQYXGFAXJFNU-NSHDSACASA-N -1 1 470.385 5.536 40 0 JKABMM C[C@H]1Cc2ccccc2N1c1nc2ncn(-c3ccc(Cl)c(Cl)c3)c(=S)c2c(=O)[n-]1 ZINC000040385800 569824365 /nfs/dbraw/zinc/82/43/65/569824365.db2.gz BLLCKBWEULJDSR-NSHDSACASA-N -1 1 456.358 5.228 40 0 JKABMM C[C@@H]1Cc2ccccc2N1c1nc2ncn(-c3cc(Cl)cc(Cl)c3)c(=S)c2c(=O)[n-]1 ZINC000040385803 569824384 /nfs/dbraw/zinc/82/43/84/569824384.db2.gz ZYQVQVJPZPERMH-LLVKDONJSA-N -1 1 456.358 5.228 40 0 JKABMM Cc1nc2nc(N3c4ccccc4C[C@H]3C)[n-]c(=O)c2c(=S)n1-c1ccc2ccccc2c1 ZINC000040386945 569824480 /nfs/dbraw/zinc/82/44/80/569824480.db2.gz KKTCQLNJFMHPIU-OAHLLOKOSA-N -1 1 451.555 5.383 40 0 JKABMM Cc1nc(Nc2c(C)cccc2C)sc1C([O-])=CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000102966917 569830281 /nfs/dbraw/zinc/83/02/81/569830281.db2.gz YAQLRBUJXXOQHP-UHFFFAOYSA-N -1 1 491.657 6.839 40 0 JKABMM Cc1nc(Nc2c(C)cccc2C)sc1C(=O)C=C([O-])C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000102966917 569830282 /nfs/dbraw/zinc/83/02/82/569830282.db2.gz YAQLRBUJXXOQHP-UHFFFAOYSA-N -1 1 491.657 6.839 40 0 JKABMM Cc1nc(Nc2ccc(C)cc2)sc1C([O-])=CC(=O)C(=O)Nc1c(C)cccc1C(C)(C)C ZINC000102969196 569830383 /nfs/dbraw/zinc/83/03/83/569830383.db2.gz FTUDJWIZCGPYCT-UHFFFAOYSA-N -1 1 463.603 5.890 40 0 JKABMM Cc1nc(Nc2ccc(C)cc2)sc1C(=O)C=C([O-])C(=O)Nc1c(C)cccc1C(C)(C)C ZINC000102969196 569830385 /nfs/dbraw/zinc/83/03/85/569830385.db2.gz FTUDJWIZCGPYCT-UHFFFAOYSA-N -1 1 463.603 5.890 40 0 JKABMM CCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000105518534 569853159 /nfs/dbraw/zinc/85/31/59/569853159.db2.gz OGWMAUSLAKEAAU-UIOOFZCWSA-N -1 1 480.568 5.247 40 0 JKABMM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000108982389 569860165 /nfs/dbraw/zinc/86/01/65/569860165.db2.gz XECDJQIFSYCXOV-UHFFFAOYSA-N -1 1 493.368 5.014 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000147584355 569867854 /nfs/dbraw/zinc/86/78/54/569867854.db2.gz MYFZLZDRMOBZSZ-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000216243328 569877927 /nfs/dbraw/zinc/87/79/27/569877927.db2.gz YNCLPFWXBZQILD-JOCHJYFZSA-N -1 1 458.967 5.245 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSc3ccc(Cl)cc3)c2)cc1 ZINC000216296805 569878201 /nfs/dbraw/zinc/87/82/01/569878201.db2.gz PVMCZTYBVCODOQ-UHFFFAOYSA-N -1 1 495.453 5.625 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2C)c(C)c1 ZINC000216316969 569878327 /nfs/dbraw/zinc/87/83/27/569878327.db2.gz CKHWUTCCLQFFTI-UHFFFAOYSA-N -1 1 456.995 5.338 40 0 JKABMM CCOc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000216417887 569878742 /nfs/dbraw/zinc/87/87/42/569878742.db2.gz WENAYNPIGUCXRL-UHFFFAOYSA-N -1 1 487.021 5.211 40 0 JKABMM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1OC ZINC000216422587 569878785 /nfs/dbraw/zinc/87/87/85/569878785.db2.gz CCSMJMMXBWEOQH-UHFFFAOYSA-N -1 1 488.993 5.038 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccc(OC)cc1 ZINC000216433214 569878846 /nfs/dbraw/zinc/87/88/46/569878846.db2.gz ZFNFMUXXQQBZIQ-DEOSSOPVSA-N -1 1 466.603 5.302 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c2ccccc2)cc1 ZINC000216440944 569878945 /nfs/dbraw/zinc/87/89/45/569878945.db2.gz LZUGAOCRWDQLRV-MUUNZHRXSA-N -1 1 484.621 5.932 40 0 JKABMM CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc(OC)cc1 ZINC000216455790 569878979 /nfs/dbraw/zinc/87/89/79/569878979.db2.gz YUCDRKMMTCCYFU-JOCHJYFZSA-N -1 1 458.967 5.031 40 0 JKABMM CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc(OC)cc1 ZINC000216455838 569879027 /nfs/dbraw/zinc/87/90/27/569879027.db2.gz YUCDRKMMTCCYFU-QFIPXVFZSA-N -1 1 458.967 5.031 40 0 JKABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000216484249 569879061 /nfs/dbraw/zinc/87/90/61/569879061.db2.gz RPNAXPZLQZMNPS-HXUWFJFHSA-N -1 1 466.603 5.302 40 0 JKABMM CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Br)c(Cl)c1[O-] ZINC000222603679 569886758 /nfs/dbraw/zinc/88/67/58/569886758.db2.gz CAWYIBRCNXTKMN-LZVXQISVSA-N -1 1 468.804 5.191 40 0 JKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c2ccccc2O1 ZINC000222621959 569887169 /nfs/dbraw/zinc/88/71/69/569887169.db2.gz DBJOWLJIFRFBOS-XMMPIXPASA-N -1 1 492.641 5.917 40 0 JKABMM CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c([O-])c(Cl)c3Br)N21 ZINC000222673578 569888209 /nfs/dbraw/zinc/88/82/09/569888209.db2.gz CFWKEYLMPKPARW-LZVXQISVSA-N -1 1 468.804 5.191 40 0 JKABMM CCCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)s1 ZINC000222699527 569888953 /nfs/dbraw/zinc/88/89/53/569888953.db2.gz IMSWGXVEEHKMHM-UHFFFAOYSA-N -1 1 476.649 5.019 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)cc1C ZINC000222770961 569890696 /nfs/dbraw/zinc/89/06/96/569890696.db2.gz GZDGWXOVWBVDBY-UHFFFAOYSA-N -1 1 458.583 5.496 40 0 JKABMM Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1C ZINC000222840105 569892368 /nfs/dbraw/zinc/89/23/68/569892368.db2.gz OAQYRRVRKSYMSZ-UHFFFAOYSA-N -1 1 493.412 5.453 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCc3cccc4ccccc43)cc2)cc1 ZINC000222874485 569893240 /nfs/dbraw/zinc/89/32/40/569893240.db2.gz NLSMSGQVYHJHBM-UHFFFAOYSA-N -1 1 458.583 5.198 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)cc1 ZINC000222943326 569895057 /nfs/dbraw/zinc/89/50/57/569895057.db2.gz ADAKEQAWWCWENA-FQEVSTJZSA-N -1 1 462.615 5.474 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2C)cc1 ZINC000222943822 569895150 /nfs/dbraw/zinc/89/51/50/569895150.db2.gz CUCIFPUUSQDOGU-HXUWFJFHSA-N -1 1 462.615 5.474 40 0 JKABMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000222966993 569895644 /nfs/dbraw/zinc/89/56/44/569895644.db2.gz FUQOCEJTHUWJQW-QGZVFWFLSA-N -1 1 469.006 5.511 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)c(Cl)c2)cc1 ZINC000222967152 569895707 /nfs/dbraw/zinc/89/57/07/569895707.db2.gz QFOISYBACUTWSU-SFHVURJKSA-N -1 1 483.033 5.819 40 0 JKABMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1)c1ccc2c(c1)CCCC2 ZINC000223067269 569898344 /nfs/dbraw/zinc/89/83/44/569898344.db2.gz AZHHDPCICSJDRC-SANMLTNESA-N -1 1 462.615 5.556 40 0 JKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223068479 569898441 /nfs/dbraw/zinc/89/84/41/569898441.db2.gz OUHPNBOSTQEWNH-AREMUKBSSA-N -1 1 476.642 5.864 40 0 JKABMM CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223095042 569899279 /nfs/dbraw/zinc/89/92/79/569899279.db2.gz QYOOCNQVLUPEFK-AREMUKBSSA-N -1 1 497.060 6.209 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(SCC(C)C)s3)c(Cl)c2)cc1 ZINC000223171743 569901923 /nfs/dbraw/zinc/90/19/23/569901923.db2.gz SSACYCOBENNAHM-UHFFFAOYSA-N -1 1 497.067 5.301 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1C ZINC000223182354 569902472 /nfs/dbraw/zinc/90/24/72/569902472.db2.gz IJNPVJPXHKOKDR-FQEVSTJZSA-N -1 1 462.615 5.392 40 0 JKABMM CCC1(CC)C[C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc2O1 ZINC000223198819 569903149 /nfs/dbraw/zinc/90/31/49/569903149.db2.gz CABASSTYOUUDIQ-QHCPKHFHSA-N -1 1 464.587 5.300 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1C(C)C ZINC000223301037 569906595 /nfs/dbraw/zinc/90/65/95/569906595.db2.gz RTQVUUDDSUJTMU-OAQYLSRUSA-N -1 1 494.657 6.036 40 0 JKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1C(C)C ZINC000223300726 569906622 /nfs/dbraw/zinc/90/66/22/569906622.db2.gz PGLMMAFKSVQMMK-FQEVSTJZSA-N -1 1 480.630 5.727 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1C(C)C ZINC000223301313 569906652 /nfs/dbraw/zinc/90/66/52/569906652.db2.gz AQJGAFRRYGMJPV-OAQYLSRUSA-N -1 1 494.657 6.036 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1C(C)C ZINC000223312457 569906988 /nfs/dbraw/zinc/90/69/88/569906988.db2.gz WXQZTESRYRTYCX-HXUWFJFHSA-N -1 1 480.630 5.727 40 0 JKABMM CCc1ccc([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000223322167 569907490 /nfs/dbraw/zinc/90/74/90/569907490.db2.gz MKCBSQDJEHLBHX-QGZVFWFLSA-N -1 1 456.995 5.503 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)ccc2C)cc1C ZINC000223427338 569910982 /nfs/dbraw/zinc/91/09/82/569910982.db2.gz LUUISFCPTMHCNZ-QFIPXVFZSA-N -1 1 464.631 5.829 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)ccc2C)c1 ZINC000223427492 569911016 /nfs/dbraw/zinc/91/10/16/569911016.db2.gz ROTVKQJDHZCCHG-QFIPXVFZSA-N -1 1 464.631 5.829 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)ccc2C)c(C)c1 ZINC000223428938 569911093 /nfs/dbraw/zinc/91/10/93/569911093.db2.gz ZSCSYUGOHFJVRH-QFIPXVFZSA-N -1 1 464.631 5.829 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000223429570 569911121 /nfs/dbraw/zinc/91/11/21/569911121.db2.gz GBTBXGVTLQKWDY-UHFFFAOYSA-N -1 1 482.911 5.398 40 0 JKABMM Cc1cc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1C ZINC000223462968 569912134 /nfs/dbraw/zinc/91/21/34/569912134.db2.gz WNTRAQPEWRVRLJ-GOSISDBHSA-N -1 1 456.995 5.557 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cccc4ccccc43)ccc2C)c1C ZINC000223528897 569914700 /nfs/dbraw/zinc/91/47/00/569914700.db2.gz FPYVNTPRCQEWEL-UHFFFAOYSA-N -1 1 488.609 5.375 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3cccc4ccccc43)c2C)cc1 ZINC000223534630 569914899 /nfs/dbraw/zinc/91/48/99/569914899.db2.gz HFKLNDYOQASBKU-UHFFFAOYSA-N -1 1 474.582 5.066 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1C ZINC000223603080 569917564 /nfs/dbraw/zinc/91/75/64/569917564.db2.gz JSQGYHSWPAOZAB-UHFFFAOYSA-N -1 1 499.017 5.528 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2C(C)(C)C)ccc1C ZINC000223689510 569920056 /nfs/dbraw/zinc/92/00/56/569920056.db2.gz BKYCWXYOIOISEX-UHFFFAOYSA-N -1 1 480.630 5.211 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C(C)(C)C)ccc2C)c1C ZINC000223689759 569920082 /nfs/dbraw/zinc/92/00/82/569920082.db2.gz FCDZHRJHHPJHDW-UHFFFAOYSA-N -1 1 494.657 5.519 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccccc3C(C)(C)C)c2C)cc1 ZINC000223696119 569920270 /nfs/dbraw/zinc/92/02/70/569920270.db2.gz JBFXSRIIBDPOKI-UHFFFAOYSA-N -1 1 480.630 5.211 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C(C)C)ccc2C)c1 ZINC000223767565 569922650 /nfs/dbraw/zinc/92/26/50/569922650.db2.gz XPHFSHSZHUMLFQ-UHFFFAOYSA-N -1 1 480.630 5.345 40 0 JKABMM CC(C)c1ccccc1OCCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000223788296 569923337 /nfs/dbraw/zinc/92/33/37/569923337.db2.gz HXTZRSPIGRFZKG-UHFFFAOYSA-N -1 1 472.994 5.073 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2C)c1C ZINC000223945245 569928011 /nfs/dbraw/zinc/92/80/11/569928011.db2.gz GRKYXCGECPTVOY-UHFFFAOYSA-N -1 1 456.995 5.039 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)cc1 ZINC000223945089 569928020 /nfs/dbraw/zinc/92/80/20/569928020.db2.gz ZKARPBLTMOTHBK-UHFFFAOYSA-N -1 1 456.567 5.608 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2C)c1C ZINC000223946686 569928095 /nfs/dbraw/zinc/92/80/95/569928095.db2.gz LQMNCWWRGZXYEZ-UHFFFAOYSA-N -1 1 485.609 5.651 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)cc1C ZINC000223949383 569928130 /nfs/dbraw/zinc/92/81/30/569928130.db2.gz CPOGUFFIXKKPSK-UHFFFAOYSA-N -1 1 470.594 5.917 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000223953390 569928303 /nfs/dbraw/zinc/92/83/03/569928303.db2.gz HTPFIHIQCREAIZ-UHFFFAOYSA-N -1 1 494.657 5.519 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)c1 ZINC000223953693 569928314 /nfs/dbraw/zinc/92/83/14/569928314.db2.gz IASLFPURQDENFZ-UHFFFAOYSA-N -1 1 470.594 5.917 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)c2)cc1 ZINC000224075310 569932507 /nfs/dbraw/zinc/93/25/07/569932507.db2.gz DNUCQXBPLKRJBO-UHFFFAOYSA-N -1 1 456.523 5.948 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224083655 569932762 /nfs/dbraw/zinc/93/27/62/569932762.db2.gz FFWHYPKXLCYCCM-UHFFFAOYSA-N -1 1 456.523 5.948 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)cc1 ZINC000224086089 569932808 /nfs/dbraw/zinc/93/28/08/569932808.db2.gz XPPQLQSHZPAIDF-UHFFFAOYSA-N -1 1 456.567 5.608 40 0 JKABMM Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1Cl ZINC000224140343 569934301 /nfs/dbraw/zinc/93/43/01/569934301.db2.gz VRFBTQNTCCFQRI-UHFFFAOYSA-N -1 1 487.021 5.183 40 0 JKABMM Cc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224146462 569934417 /nfs/dbraw/zinc/93/44/17/569934417.db2.gz YBELXXQISNQHON-UHFFFAOYSA-N -1 1 496.639 5.192 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)c2)cc1 ZINC000224317213 569940289 /nfs/dbraw/zinc/94/02/89/569940289.db2.gz HWJZMKRGZSDMST-UHFFFAOYSA-N -1 1 484.990 5.220 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1C(=O)N1CCCCC1 ZINC000224322363 569940499 /nfs/dbraw/zinc/94/04/99/569940499.db2.gz 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40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(N4CCCC4)cc3)c2)cc1 ZINC000224923426 569963518 /nfs/dbraw/zinc/96/35/18/569963518.db2.gz VZBAVUOWUHLHNA-UHFFFAOYSA-N -1 1 469.994 5.302 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)Cc3ccccc3)ccc2C)cc1C ZINC000224926944 569963631 /nfs/dbraw/zinc/96/36/31/569963631.db2.gz OOTIMTPHEKXIOS-UHFFFAOYSA-N -1 1 450.604 5.164 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1C ZINC000224953967 569964758 /nfs/dbraw/zinc/96/47/58/569964758.db2.gz VEUXFQBUDCTJHY-UHFFFAOYSA-N -1 1 463.603 5.347 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccc(OC)c(C)c1 ZINC000224953556 569964784 /nfs/dbraw/zinc/96/47/84/569964784.db2.gz QAKGPBXFKRAJNI-HSZRJFAPSA-N -1 1 480.630 5.611 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2C)c1 ZINC000224954264 569964839 /nfs/dbraw/zinc/96/48/39/569964839.db2.gz PTCQKWYGRJLITH-UHFFFAOYSA-N -1 1 477.630 5.655 40 0 JKABMM 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Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000225146466 569977875 /nfs/dbraw/zinc/97/78/75/569977875.db2.gz UFMATVDDHCDKSZ-UHFFFAOYSA-N -1 1 481.599 5.005 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)c2)cc1 ZINC000225150728 569978205 /nfs/dbraw/zinc/97/82/05/569978205.db2.gz HPNKHBRHBMMJGF-UHFFFAOYSA-N -1 1 481.599 5.005 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)c2C)cc1 ZINC000225150888 569978212 /nfs/dbraw/zinc/97/82/12/569978212.db2.gz RKWXCPCASIFTQE-UHFFFAOYSA-N -1 1 495.626 5.314 40 0 JKABMM Cc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000225151162 569978218 /nfs/dbraw/zinc/97/82/18/569978218.db2.gz GVUSXIRTZHLOPE-UHFFFAOYSA-N -1 1 481.599 5.005 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000225151000 569978220 /nfs/dbraw/zinc/97/82/20/569978220.db2.gz YIFLNXDSRQYZGX-UHFFFAOYSA-N -1 1 481.599 5.005 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2C)cc1C ZINC000408622051 569978623 /nfs/dbraw/zinc/97/86/23/569978623.db2.gz TUPWULCDFVENDQ-UHFFFAOYSA-N -1 1 484.621 5.932 40 0 JKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c1)CCC2 ZINC000408626976 569980908 /nfs/dbraw/zinc/98/09/08/569980908.db2.gz YROJMMFMZMCJSW-UHFFFAOYSA-N -1 1 498.626 5.083 40 0 JKABMM COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c1)CCC2 ZINC000408630257 569982104 /nfs/dbraw/zinc/98/21/04/569982104.db2.gz QRUWGHCSIOWLFX-UHFFFAOYSA-N -1 1 498.626 5.002 40 0 JKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c1)CCC2 ZINC000408630408 569982184 /nfs/dbraw/zinc/98/21/84/569982184.db2.gz UCNISADDSWIFNY-UHFFFAOYSA-N -1 1 498.626 5.083 40 0 JKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(C(C)C)c3ccccc23)C(=O)[O-])n1 ZINC000408630817 569982593 /nfs/dbraw/zinc/98/25/93/569982593.db2.gz CXIKKEBMLOLJTQ-JMIUGGIZSA-N -1 1 468.966 5.887 40 0 JKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)[O-])n1 ZINC000408631345 569982836 /nfs/dbraw/zinc/98/28/36/569982836.db2.gz HVBSXIZHXMXMGJ-MTJSOVHGSA-N -1 1 495.944 5.814 40 0 JKABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])ccc1OC(C)C ZINC000408631439 569982983 /nfs/dbraw/zinc/98/29/83/569982983.db2.gz JCPFCRINLSHVAY-JAIQZWGSSA-N -1 1 489.981 5.537 40 0 JKABMM COc1ccc2ccccc2c1C=C(Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1)C(=O)[O-] ZINC000408631597 569983125 /nfs/dbraw/zinc/98/31/25/569983125.db2.gz KOZBUFAVRGKECF-NDENLUEZSA-N -1 1 467.934 5.513 40 0 JKABMM O=C([O-])C(=Cc1cccc(OCc2ccccc2)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632009 569983315 /nfs/dbraw/zinc/98/33/15/569983315.db2.gz CMUJQDUPLKUPMH-STZFKDTASA-N -1 1 463.946 5.922 40 0 JKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OCc2ccccc2)C(=O)[O-])n1 ZINC000408632153 569983445 /nfs/dbraw/zinc/98/34/45/569983445.db2.gz OCCXLGFHFAFMAF-XKZIYDEJSA-N -1 1 493.972 5.931 40 0 JKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(C)c(Br)c2)C(=O)[O-])n1 ZINC000408632269 569983611 /nfs/dbraw/zinc/98/36/11/569983611.db2.gz PLBXMMMRVWJDLU-PXNMLYILSA-N -1 1 480.771 5.422 40 0 JKABMM CCOc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1OCC ZINC000408632231 569983635 /nfs/dbraw/zinc/98/36/35/569983635.db2.gz PAKBUTNNOQBECI-ODLFYWEKSA-N -1 1 475.954 5.149 40 0 JKABMM Cc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1Br ZINC000408632391 569983785 /nfs/dbraw/zinc/98/37/85/569983785.db2.gz FLCTVIDPKINUGG-DHDCSXOGSA-N -1 1 450.745 5.414 40 0 JKABMM CCOc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1Cl ZINC000408632790 569984011 /nfs/dbraw/zinc/98/40/11/569984011.db2.gz SPXVVHXQKOQEGU-MFOYZWKCSA-N -1 1 466.346 5.404 40 0 JKABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc(Cl)c1OC ZINC000408632761 569984045 /nfs/dbraw/zinc/98/40/45/569984045.db2.gz SGSMZAVIDSCUGK-MFOYZWKCSA-N -1 1 496.372 5.412 40 0 JKABMM CCOC(=O)Cn1c(C)c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c2ccccc21 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CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000409260493 570187516 /nfs/dbraw/zinc/18/75/16/570187516.db2.gz QYCPCWWBTBXENE-UHFFFAOYSA-N -1 1 458.558 6.156 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OC(=O)c1ccc(C)cc1 ZINC000409267218 570188577 /nfs/dbraw/zinc/18/85/77/570188577.db2.gz UCXRCUYSLJDUAW-UHFFFAOYSA-N -1 1 460.555 5.869 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3c(F)cccc3Cl)cc2)c1 ZINC000408543981 570192201 /nfs/dbraw/zinc/19/22/01/570192201.db2.gz GKXZKRYKHSKFMD-UHFFFAOYSA-N -1 1 478.998 5.460 40 0 JKABMM COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000408546560 570193399 /nfs/dbraw/zinc/19/33/99/570193399.db2.gz UJPOCQNKNFLHTP-UHFFFAOYSA-N -1 1 458.967 5.327 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCC(C)C)ccc2C)c1 ZINC000408546762 570193492 /nfs/dbraw/zinc/19/34/92/570193492.db2.gz VGHIAJFAIXWAPD-UHFFFAOYSA-N -1 1 493.629 5.051 40 0 JKABMM CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000408546619 570193536 /nfs/dbraw/zinc/19/35/36/570193536.db2.gz GALHRCCYVHCFTH-UHFFFAOYSA-N -1 1 450.604 6.008 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2C)cc1C ZINC000408547621 570193800 /nfs/dbraw/zinc/19/38/00/570193800.db2.gz KEXIKXZADXXAIC-UHFFFAOYSA-N -1 1 498.048 5.028 40 0 JKABMM O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408547750 570193921 /nfs/dbraw/zinc/19/39/21/570193921.db2.gz MHIZCXLWPJQGQP-UHFFFAOYSA-N -1 1 495.453 5.457 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(Cl)c3)ccc2C)c1 ZINC000408547764 570193947 /nfs/dbraw/zinc/19/39/47/570193947.db2.gz MLTANNSPPPIMHY-UHFFFAOYSA-N -1 1 493.810 5.772 40 0 JKABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(C)c1 ZINC000408550930 570195089 /nfs/dbraw/zinc/19/50/89/570195089.db2.gz GJMUIKDDHZHFBH-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1NC(=O)c1cccc(Cl)c1 ZINC000408553336 570195775 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Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)NC1CCCCC1 ZINC000408559816 570200013 /nfs/dbraw/zinc/20/00/13/570200013.db2.gz ZDYIJMQWJYBCNC-UHFFFAOYSA-N -1 1 474.932 5.531 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408561826 570201395 /nfs/dbraw/zinc/20/13/95/570201395.db2.gz VTIDLKOVFXHTCE-UHFFFAOYSA-N -1 1 477.007 5.514 40 0 JKABMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000408564331 570202676 /nfs/dbraw/zinc/20/26/76/570202676.db2.gz WEZMORVVKDUPPD-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)c1 ZINC000408580662 570206665 /nfs/dbraw/zinc/20/66/65/570206665.db2.gz QKJYZAIIJUGISH-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(NC(=O)N4CCCCCC4)cc3)ccc21 ZINC000408589719 570208885 /nfs/dbraw/zinc/20/88/85/570208885.db2.gz FEKFFCIPJFGKOY-UHFFFAOYSA-N -1 1 490.629 6.023 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1c(Cl)cccc1Cl ZINC000408590145 570208953 /nfs/dbraw/zinc/20/89/53/570208953.db2.gz JQJJMSWHOFYIJA-UHFFFAOYSA-N -1 1 485.776 5.465 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)N1CCCCCC1 ZINC000408593388 570209792 /nfs/dbraw/zinc/20/97/92/570209792.db2.gz MOZUSKUMDIJMJG-UHFFFAOYSA-N -1 1 475.920 5.568 40 0 JKABMM CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1 ZINC000408593411 570209797 /nfs/dbraw/zinc/20/97/97/570209797.db2.gz QEMAKALMMVDITL-UHFFFAOYSA-N -1 1 458.967 5.282 40 0 JKABMM Cc1cc(C)c2nc(Nc3nc(C)c(Cc4ccc(Br)cc4)c(=O)[n-]3)nc(C)c2c1 ZINC000020797951 195226478 /nfs/dbraw/zinc/22/64/78/195226478.db2.gz CVSDTGNULUIWEL-UHFFFAOYSA-N -1 1 464.367 5.044 40 0 JKABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1Cl ZINC000020766129 195221471 /nfs/dbraw/zinc/22/14/71/195221471.db2.gz YGDPFVUEBWBYBX-UHFFFAOYSA-N -1 1 470.978 5.051 40 0 JKABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766399 195221814 /nfs/dbraw/zinc/22/18/14/195221814.db2.gz YGZFIYIHVJITAK-UHFFFAOYSA-N -1 1 454.979 5.296 40 0 JKABMM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21 ZINC000020766431 195221827 /nfs/dbraw/zinc/22/18/27/195221827.db2.gz RYTWPTNAUYBWST-UHFFFAOYSA-N -1 1 461.370 5.387 40 0 JKABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1Cl ZINC000020767255 195222746 /nfs/dbraw/zinc/22/27/46/195222746.db2.gz CHZBZRGVQITXQC-UHFFFAOYSA-N -1 1 491.396 5.396 40 0 JKABMM Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000021306131 195293659 /nfs/dbraw/zinc/29/36/59/195293659.db2.gz BPWSYPWDUBVMIU-INIZCTEOSA-N -1 1 493.412 5.817 40 0 JKABMM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306191 195294082 /nfs/dbraw/zinc/29/40/82/195294082.db2.gz MMUMUGIIPKIBHX-CQSZACIVSA-N -1 1 495.384 5.209 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C)c1C ZINC000224869054 195471301 /nfs/dbraw/zinc/47/13/01/195471301.db2.gz RERHWYSKEASOQT-UHFFFAOYSA-N -1 1 478.492 5.564 40 0 JKABMM CC(C)C[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000020454771 519246441 /nfs/dbraw/zinc/24/64/41/519246441.db2.gz ZYIIGIOFLHGTQB-HSZRJFAPSA-N -1 1 456.995 5.658 40 0 JKABMM CC(C)c1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000044841240 519835741 /nfs/dbraw/zinc/83/57/41/519835741.db2.gz SXUKRBCYOHTLIO-UHFFFAOYSA-N -1 1 456.995 5.237 40 0 JKABMM CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000044904880 521256489 /nfs/dbraw/zinc/25/64/89/521256489.db2.gz VQPXYHVDAPWLDS-FQEVSTJZSA-N -1 1 466.603 5.302 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1Cl ZINC000020453143 521514944 /nfs/dbraw/zinc/51/49/44/521514944.db2.gz VJJUSEBRGNCNBI-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1Cl ZINC000020489360 521515343 /nfs/dbraw/zinc/51/53/43/521515343.db2.gz HNPKRTAWZJQGHU-UHFFFAOYSA-N -1 1 493.368 5.223 40 0 JKABMM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c1C ZINC000020451072 521544306 /nfs/dbraw/zinc/54/43/06/521544306.db2.gz ZPRSBCIQERKQGW-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000020491666 521924455 /nfs/dbraw/zinc/92/44/55/521924455.db2.gz MDLNBGHWZNHFMG-INIZCTEOSA-N -1 1 458.967 5.109 40 0 JKABMM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000022515015 521924822 /nfs/dbraw/zinc/92/48/22/521924822.db2.gz AXISMHXUGUFVCG-OAHLLOKOSA-N -1 1 493.412 5.763 40 0 JKABMM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020487147 521925161 /nfs/dbraw/zinc/92/51/61/521925161.db2.gz JQMIUEQODFZHNA-IBGZPJMESA-N -1 1 452.576 5.073 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc(C)cc1 ZINC000022518840 522783922 /nfs/dbraw/zinc/78/39/22/522783922.db2.gz YMUIHBZDTOPZLC-HSZRJFAPSA-N -1 1 450.604 5.602 40 0 JKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000022509557 522869900 /nfs/dbraw/zinc/86/99/00/522869900.db2.gz ZQAXOFXMARIQGE-QHCPKHFHSA-N -1 1 452.576 5.209 40 0 JKABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000044839692 522873981 /nfs/dbraw/zinc/87/39/81/522873981.db2.gz XLNGVFDOXJGFSB-QFIPXVFZSA-N -1 1 476.957 5.384 40 0 JKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000022514835 522884274 /nfs/dbraw/zinc/88/42/74/522884274.db2.gz JJDQGYBOHMPHSN-QHCPKHFHSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000044843759 522885063 /nfs/dbraw/zinc/88/50/63/522885063.db2.gz ADBFHMDOCHDWGY-QHCPKHFHSA-N -1 1 487.021 5.862 40 0 JKABMM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020458729 522894889 /nfs/dbraw/zinc/89/48/89/522894889.db2.gz AFABVMKEDBUPFY-QFIPXVFZSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000044886646 522897994 /nfs/dbraw/zinc/89/79/94/522897994.db2.gz LHEUELATCQYLAD-NRFANRHFSA-N -1 1 458.967 5.245 40 0 JKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000022517913 522920400 /nfs/dbraw/zinc/92/04/00/522920400.db2.gz OTZTUSPWVUSCLO-NRFANRHFSA-N -1 1 495.453 6.304 40 0 JKABMM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000044903673 523038306 /nfs/dbraw/zinc/03/83/06/523038306.db2.gz BSAHYTWIWHBEGY-HSZRJFAPSA-N -1 1 487.021 5.862 40 0 JKABMM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000022509552 523038476 /nfs/dbraw/zinc/03/84/76/523038476.db2.gz ZQAXOFXMARIQGE-HSZRJFAPSA-N -1 1 452.576 5.209 40 0 JKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020458150 523039795 /nfs/dbraw/zinc/03/97/95/523039795.db2.gz QFCLOQUVJPFNOJ-XMMPIXPASA-N -1 1 487.021 5.862 40 0 JKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000044839660 523039916 /nfs/dbraw/zinc/03/99/16/523039916.db2.gz RJBZRNYPTFKXPV-RUZDIDTESA-N -1 1 466.603 5.517 40 0 JKABMM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020454789 523041498 /nfs/dbraw/zinc/04/14/98/523041498.db2.gz LLSASZUZENXYME-HSZRJFAPSA-N -1 1 456.539 5.039 40 0 JKABMM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020460011 523042639 /nfs/dbraw/zinc/04/26/39/523042639.db2.gz SBLNLVDHTTWMIS-JOCHJYFZSA-N -1 1 476.957 5.384 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000044843764 523051155 /nfs/dbraw/zinc/05/11/55/523051155.db2.gz ADBFHMDOCHDWGY-HSZRJFAPSA-N -1 1 487.021 5.862 40 0 JKABMM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020484618 523052688 /nfs/dbraw/zinc/05/26/88/523052688.db2.gz QJFPSAWEKUGVFC-HSZRJFAPSA-N -1 1 488.993 5.254 40 0 JKABMM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000020481995 523055703 /nfs/dbraw/zinc/05/57/03/523055703.db2.gz CAJRBWLGWSEAFV-XMMPIXPASA-N -1 1 495.000 6.090 40 0 JKABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044840157 523060526 /nfs/dbraw/zinc/06/05/26/523060526.db2.gz PESSXMJWZAHSRZ-HXUWFJFHSA-N -1 1 479.385 5.590 40 0 JKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044845201 523062115 /nfs/dbraw/zinc/06/21/15/523062115.db2.gz LFJMUBOVKDFMAB-UHFFFAOYSA-N -1 1 466.946 5.555 40 0 JKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000022517905 523082593 /nfs/dbraw/zinc/08/25/93/523082593.db2.gz OTZTUSPWVUSCLO-OAQYLSRUSA-N -1 1 495.453 6.304 40 0 JKABMM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000044849029 524095092 /nfs/dbraw/zinc/09/50/92/524095092.db2.gz FMPPOGSGRGCXLF-UHFFFAOYSA-N -1 1 462.493 5.304 40 0 JKABMM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000044901271 524096219 /nfs/dbraw/zinc/09/62/19/524096219.db2.gz CSUSHSQYXKYLOY-UHFFFAOYSA-N -1 1 473.392 5.048 40 0 JKABMM COc1ccc(Cl)cc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044843693 524239369 /nfs/dbraw/zinc/23/93/69/524239369.db2.gz ZKAFKZUIGQNOOQ-UHFFFAOYSA-N -1 1 465.358 5.364 40 0 JKABMM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1 ZINC000022531230 524248806 /nfs/dbraw/zinc/24/88/06/524248806.db2.gz KOLVJNXHZBJKEZ-IBGZPJMESA-N -1 1 487.021 5.780 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2C)c1C ZINC000022514972 524690555 /nfs/dbraw/zinc/69/05/55/524690555.db2.gz HWOMMBHGXJBGQE-UHFFFAOYSA-N -1 1 466.603 5.130 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)c1C ZINC000020459739 524691207 /nfs/dbraw/zinc/69/12/07/524691207.db2.gz WDEZRXRASCIIJI-VWLOTQADSA-N -1 1 464.631 5.930 40 0 JKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000020488101 525110143 /nfs/dbraw/zinc/11/01/43/525110143.db2.gz YBPQMDLKXQLERK-INIZCTEOSA-N -1 1 491.034 5.577 40 0 JKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000020489903 525112720 /nfs/dbraw/zinc/11/27/20/525112720.db2.gz MNMFNUXWKMODJF-MRXNPFEDSA-N -1 1 491.034 5.577 40 0 JKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000020488549 525113810 /nfs/dbraw/zinc/11/38/10/525113810.db2.gz OMFCGTVQMVNGSA-MRXNPFEDSA-N -1 1 491.034 5.577 40 0 JKABMM Cc1ccccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000020455495 525272301 /nfs/dbraw/zinc/27/23/01/525272301.db2.gz DXCNDTXDASXGEC-UHFFFAOYSA-N -1 1 494.594 5.389 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)ccc2C)cc1 ZINC000020456438 525297135 /nfs/dbraw/zinc/29/71/35/525297135.db2.gz QFNYCIIXOLLONZ-MUUNZHRXSA-N -1 1 484.621 5.932 40 0 JKABMM C[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000044947315 525315016 /nfs/dbraw/zinc/31/50/16/525315016.db2.gz MRKXGUXGFGWMIY-QGZVFWFLSA-N -1 1 471.022 5.929 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000020460122 525347634 /nfs/dbraw/zinc/34/76/34/525347634.db2.gz IYPUCNQTTGJDCO-SANMLTNESA-N -1 1 480.630 5.630 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000020494088 525349416 /nfs/dbraw/zinc/34/94/16/525349416.db2.gz CJWKILYFPZLJLZ-VWLOTQADSA-N -1 1 480.630 5.630 40 0 JKABMM Cc1cc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)ccc1N1CCCC1=O ZINC000044845938 525421159 /nfs/dbraw/zinc/42/11/59/525421159.db2.gz DSWYWMHRBIALJO-UHFFFAOYSA-N -1 1 452.601 5.215 40 0 JKABMM C[C@@H]1Cc2ccccc2N1c1nc2ncn(-c3ccc(Cl)c(Cl)c3)c(=S)c2c(=O)[n-]1 ZINC000040385797 525536890 /nfs/dbraw/zinc/53/68/90/525536890.db2.gz BLLCKBWEULJDSR-LLVKDONJSA-N -1 1 456.358 5.228 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(Cl)c2)cc1 ZINC000020450380 525596890 /nfs/dbraw/zinc/59/68/90/525596890.db2.gz UZQPTPZRNQMNOT-UHFFFAOYSA-N -1 1 498.048 5.028 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000020490314 525597475 /nfs/dbraw/zinc/59/74/75/525597475.db2.gz NXZKXLHWTRSUQQ-UHFFFAOYSA-N -1 1 463.386 5.375 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSC3CCCCC3)c(Cl)c2)cc1 ZINC000044840218 525600144 /nfs/dbraw/zinc/60/01/44/525600144.db2.gz HGKALPMUMFZPON-UHFFFAOYSA-N -1 1 467.056 5.245 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)c(Cl)c2)cc1 ZINC000020450624 525600169 /nfs/dbraw/zinc/60/01/69/525600169.db2.gz DIJALQXNQJYMNW-SFHVURJKSA-N -1 1 456.995 5.200 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)cc2C)cc1 ZINC000044849928 525600720 /nfs/dbraw/zinc/60/07/20/525600720.db2.gz QSMDUQDGFWYNSN-NDEPHWFRSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000022516904 525600940 /nfs/dbraw/zinc/60/09/40/525600940.db2.gz JTGTXIJEHAYMNJ-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000020488433 525602472 /nfs/dbraw/zinc/60/24/72/525602472.db2.gz ZYWUEYHIBLCMHZ-UHFFFAOYSA-N -1 1 483.804 5.686 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccc(OC(C)C)cc3)c2)cc1 ZINC000020482000 525603683 /nfs/dbraw/zinc/60/36/83/525603683.db2.gz OIPXBWHEIJRSQX-UHFFFAOYSA-N -1 1 472.994 5.166 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H](C)c3ccc(C)cc3C)c2)cc1 ZINC000022532082 525603798 /nfs/dbraw/zinc/60/37/98/525603798.db2.gz RARGZJNSICQQKO-SFHVURJKSA-N -1 1 456.995 5.557 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3c(Cl)cccc3Cl)c2)cc1 ZINC000044901415 525604060 /nfs/dbraw/zinc/60/40/60/525604060.db2.gz DCUZAANPHVMRCQ-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(OC(C)C)c3)c2)cc1 ZINC000020461927 525604440 /nfs/dbraw/zinc/60/44/40/525604440.db2.gz NLSMSISNTUFRLR-UHFFFAOYSA-N -1 1 458.967 5.489 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c2ccccc2)cc1 ZINC000044880329 525773574 /nfs/dbraw/zinc/77/35/74/525773574.db2.gz YKJHAQBJLBUTKF-SANMLTNESA-N -1 1 491.012 5.969 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c2ccccc2)cc1 ZINC000020493695 525773596 /nfs/dbraw/zinc/77/35/96/525773596.db2.gz RTUVFPBKTSLMKM-MHZLTWQESA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c2ccccc2)cc1 ZINC000044904558 525773669 /nfs/dbraw/zinc/77/36/69/525773669.db2.gz MMOFXHSFESEITN-LJAQVGFWSA-N -1 1 498.648 6.240 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c2ccccc2)cc1 ZINC000020490926 525968155 /nfs/dbraw/zinc/96/81/55/525968155.db2.gz AGVXNBRDCVMDHA-MUUNZHRXSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c2ccccc2)cc1 ZINC000044899711 525968492 /nfs/dbraw/zinc/96/84/92/525968492.db2.gz MYSAHTAVZXZKIR-MUUNZHRXSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc2)cc1 ZINC000044900350 525968570 /nfs/dbraw/zinc/96/85/70/525968570.db2.gz FORVETZPFZVLIK-AREMUKBSSA-N -1 1 456.567 5.315 40 0 JKABMM O=C(NCCCc1ccccc1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020482818 526279267 /nfs/dbraw/zinc/27/92/67/526279267.db2.gz DXUBOGBKMOOOJS-UHFFFAOYSA-N -1 1 463.386 5.157 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000036056661 526796911 /nfs/dbraw/zinc/79/69/11/526796911.db2.gz YNUDWGNMYMRHDI-BBTUJRGHSA-N -1 1 499.272 5.357 40 0 JKABMM Cc1nc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2[C@@H]4CC[C@@H](C4)[C@@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)oc1C ZINC000012372700 526999931 /nfs/dbraw/zinc/99/99/31/526999931.db2.gz YSEYIDAXQSRKGV-YABKRHPISA-N -1 1 493.585 5.087 40 0 JKABMM O=C(Nc1ccc(Br)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020458700 527156387 /nfs/dbraw/zinc/15/63/87/527156387.db2.gz NPIHRKXVGHCNMB-UHFFFAOYSA-N -1 1 465.756 5.156 40 0 JKABMM O=C(Nc1ccc(C(F)(F)F)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020458311 527164664 /nfs/dbraw/zinc/16/46/64/527164664.db2.gz IBEYWEZPMJWEPT-UHFFFAOYSA-N -1 1 454.857 5.412 40 0 JKABMM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020493393 527248289 /nfs/dbraw/zinc/24/82/89/527248289.db2.gz XTVKIURIJACBMX-UHFFFAOYSA-N -1 1 492.984 5.972 40 0 JKABMM O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020486872 527249068 /nfs/dbraw/zinc/24/90/68/527249068.db2.gz XWJKZXPATFGFNB-UHFFFAOYSA-N -1 1 492.984 5.972 40 0 JKABMM O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000022522112 527251581 /nfs/dbraw/zinc/25/15/81/527251581.db2.gz LGCUYEAKJHQCKF-UHFFFAOYSA-N -1 1 478.957 6.185 40 0 JKABMM O=C(Nc1cccc(Br)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020488596 527324466 /nfs/dbraw/zinc/32/44/66/527324466.db2.gz BFIXGUOPGNZGCW-UHFFFAOYSA-N -1 1 465.756 5.156 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)c4ccc(C)c(C)c4)o3)cc2)cc1 ZINC000000897203 553832872 /nfs/dbraw/zinc/83/28/72/553832872.db2.gz HFWQFFAYRSTZQE-UHFFFAOYSA-N -1 1 493.610 5.438 40 0 JKABMM COc1cc(C(=S)N(CCc2ccccc2)CCc2ccccc2)cc(Br)c1[O-] ZINC000001443920 553973014 /nfs/dbraw/zinc/97/30/14/553973014.db2.gz YWKJPWZYTLMRSW-UHFFFAOYSA-N -1 1 470.432 5.626 40 0 JKABMM Cc1ccc(-c2c([O-])c(Br)c(-c3ccc(C)c(C)c3C)c(O)c2Br)c(C)c1 ZINC000001651935 553981456 /nfs/dbraw/zinc/98/14/56/553981456.db2.gz RMEQNCIODDLJOK-UHFFFAOYSA-N -1 1 490.235 7.499 40 0 JKABMM Cc1ccc(-c2c(O)c(Br)c(-c3ccc(C)c(C)c3C)c([O-])c2Br)c(C)c1 ZINC000001651935 553981458 /nfs/dbraw/zinc/98/14/58/553981458.db2.gz RMEQNCIODDLJOK-UHFFFAOYSA-N -1 1 490.235 7.499 40 0 JKABMM CCc1ccc2oc(-c3cc(NC(=O)c4cccc5c(Br)cccc45)ccc3[O-])nc2c1 ZINC000006860405 554559128 /nfs/dbraw/zinc/55/91/28/554559128.db2.gz VEEHIXLTXASEQX-UHFFFAOYSA-N -1 1 487.353 6.931 40 0 JKABMM O=C(Oc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1Br)c1ccccc1 ZINC000008765677 554666286 /nfs/dbraw/zinc/66/62/86/554666286.db2.gz LAOTUCRKPAOJEL-UHFFFAOYSA-N -1 1 482.355 5.622 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810225 554689589 /nfs/dbraw/zinc/68/95/89/554689589.db2.gz ZRSYCUPYSFXEHK-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810382 554690239 /nfs/dbraw/zinc/69/02/39/554690239.db2.gz UVVROSGMJMIQGV-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1F)c1ccccc1Cl ZINC000008810398 554690273 /nfs/dbraw/zinc/69/02/73/554690273.db2.gz UATQDQAPQSDYNW-UHFFFAOYSA-N -1 1 472.847 5.551 40 0 JKABMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000008810522 554690717 /nfs/dbraw/zinc/69/07/17/554690717.db2.gz CGBVIEOMFSXXHL-UHFFFAOYSA-N -1 1 467.349 5.802 40 0 JKABMM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810556 554690786 /nfs/dbraw/zinc/69/07/86/554690786.db2.gz YMOBJNOVVJUPBK-UHFFFAOYSA-N -1 1 483.348 5.584 40 0 JKABMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810572 554690969 /nfs/dbraw/zinc/69/09/69/554690969.db2.gz DYQBJKWNNKNLKL-UHFFFAOYSA-N -1 1 496.347 5.144 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1F)c1ccccc1F ZINC000008810699 554691223 /nfs/dbraw/zinc/69/12/23/554691223.db2.gz KCELFCUAGYJDNQ-UHFFFAOYSA-N -1 1 480.492 5.810 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1F)c1ccccc1F ZINC000008810681 554691269 /nfs/dbraw/zinc/69/12/69/554691269.db2.gz KATYJKZNYDCBLW-UHFFFAOYSA-N -1 1 457.285 5.325 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1F)c1ccc(F)cc1 ZINC000008810856 554691515 /nfs/dbraw/zinc/69/15/15/554691515.db2.gz SJECBOZXSTWHTE-UHFFFAOYSA-N -1 1 490.837 5.690 40 0 JKABMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1Cl ZINC000008833334 554730810 /nfs/dbraw/zinc/73/08/10/554730810.db2.gz UFNRXPWZVCNJTC-UHFFFAOYSA-N -1 1 495.988 5.996 40 0 JKABMM CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1 ZINC000008833335 554730825 /nfs/dbraw/zinc/73/08/25/554730825.db2.gz GQCLKYCEVGFJKS-UHFFFAOYSA-N -1 1 475.570 5.733 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915332 554808858 /nfs/dbraw/zinc/80/88/58/554808858.db2.gz KUYQRMQSFAKNDF-WFXMLNOXSA-N -1 1 499.272 5.357 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4OC)cc3[O-])nc2c1 ZINC000009064886 554884029 /nfs/dbraw/zinc/88/40/29/554884029.db2.gz SQSTXDWJXRRDLZ-UHFFFAOYSA-N -1 1 461.543 5.207 40 0 JKABMM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cn(C)c3ccccc23)cc1 ZINC000009471633 555254923 /nfs/dbraw/zinc/25/49/23/555254923.db2.gz DEHFZJUHONNBRJ-VJGNERBWSA-N -1 1 481.552 5.018 40 0 JKABMM Cc1cc2nc(-c3cc(NC(=O)c4cccc(I)c4)ccc3[O-])oc2cc1C ZINC000013601801 555530044 /nfs/dbraw/zinc/53/00/44/555530044.db2.gz AZMILJOOHLGFSX-UHFFFAOYSA-N -1 1 484.293 5.674 40 0 JKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1C ZINC000019932344 555549769 /nfs/dbraw/zinc/54/97/69/555549769.db2.gz VCSFCOWZWPFBGW-GOSISDBHSA-N -1 1 472.994 5.472 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1C ZINC000019932347 555549805 /nfs/dbraw/zinc/54/98/05/555549805.db2.gz VCSFCOWZWPFBGW-SFHVURJKSA-N -1 1 472.994 5.472 40 0 JKABMM CCCCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000019934052 555551291 /nfs/dbraw/zinc/55/12/91/555551291.db2.gz RNHXAYASRZFBKN-UHFFFAOYSA-N -1 1 486.977 5.350 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013648738 555553213 /nfs/dbraw/zinc/55/32/13/555553213.db2.gz DYFMUDZQCMRPDZ-LJQANCHMSA-N -1 1 450.604 5.584 40 0 JKABMM CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000013668418 555557495 /nfs/dbraw/zinc/55/74/95/555557495.db2.gz ODRBERUYQSIBLK-UHFFFAOYSA-N -1 1 480.630 5.174 40 0 JKABMM Cc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000013670067 555560483 /nfs/dbraw/zinc/56/04/83/555560483.db2.gz PTQFPHCVZPRFGS-UHFFFAOYSA-N -1 1 450.604 5.084 40 0 JKABMM CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000013670058 555560518 /nfs/dbraw/zinc/56/05/18/555560518.db2.gz HXHVTQUZOQLOOO-UHFFFAOYSA-N -1 1 480.630 5.174 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000013673478 555565178 /nfs/dbraw/zinc/56/51/78/555565178.db2.gz GREHUCBYAAQSDA-HXUWFJFHSA-N -1 1 464.631 5.893 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c2C)cc1 ZINC000013678579 555569889 /nfs/dbraw/zinc/56/98/89/555569889.db2.gz JBBJECBZORVPOF-UHFFFAOYSA-N -1 1 462.615 5.199 40 0 JKABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)c1ccc(Cl)cc1 ZINC000020023072 555600962 /nfs/dbraw/zinc/60/09/62/555600962.db2.gz XUXBVLUTTJDYML-OAHLLOKOSA-N -1 1 479.385 5.050 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000020024257 555602380 /nfs/dbraw/zinc/60/23/80/555602380.db2.gz IKBVEHMUSAPBQU-GOSISDBHSA-N -1 1 456.995 5.259 40 0 JKABMM CSc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000020024311 555602384 /nfs/dbraw/zinc/60/23/84/555602384.db2.gz LTXAGSVVAHVYFL-IBGZPJMESA-N -1 1 468.644 5.328 40 0 JKABMM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000010039337 555604744 /nfs/dbraw/zinc/60/47/44/555604744.db2.gz VLWDCGWOTCQUBG-KRXBUXKQSA-N -1 1 491.352 5.175 40 0 JKABMM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020034687 555609255 /nfs/dbraw/zinc/60/92/55/555609255.db2.gz KRZJAWYSQOKZSZ-UHFFFAOYSA-N -1 1 480.586 5.652 40 0 JKABMM Cc1cccc(CSCCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020035601 555610028 /nfs/dbraw/zinc/61/00/28/555610028.db2.gz AXJOFVKVFLULBE-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020039419 555612783 /nfs/dbraw/zinc/61/27/83/555612783.db2.gz AVZIKRIBAQZKGG-JOCHJYFZSA-N -1 1 493.412 5.899 40 0 JKABMM O=C(Nc1ccccc1Sc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020039989 555612994 /nfs/dbraw/zinc/61/29/94/555612994.db2.gz DADOEECAWCLHED-UHFFFAOYSA-N -1 1 495.025 6.544 40 0 JKABMM O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020040042 555613025 /nfs/dbraw/zinc/61/30/25/555613025.db2.gz LHYSOPSLGKTWBZ-UHFFFAOYSA-N -1 1 490.195 6.353 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)c(Cl)c2)cc1 ZINC000020045933 555616617 /nfs/dbraw/zinc/61/66/17/555616617.db2.gz CSKQNPQARPLLSM-SFHVURJKSA-N -1 1 485.049 6.238 40 0 JKABMM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000020049429 555619063 /nfs/dbraw/zinc/61/90/63/555619063.db2.gz JTDLVWYAFPHLPJ-CQSZACIVSA-N -1 1 495.384 5.209 40 0 JKABMM Cc1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010112029 555624244 /nfs/dbraw/zinc/62/42/44/555624244.db2.gz XVYAQDUIOKZGGE-IBGZPJMESA-N -1 1 450.604 5.584 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)cc1 ZINC000010111994 555624314 /nfs/dbraw/zinc/62/43/14/555624314.db2.gz FRUHLZCAQBJKKU-HXUWFJFHSA-N -1 1 464.631 5.893 40 0 JKABMM CCc1cc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)oc2c(Br)c1 ZINC000010119780 555631218 /nfs/dbraw/zinc/63/12/18/555631218.db2.gz LZQJZLYVAJVGNX-UHFFFAOYSA-N -1 1 471.376 5.929 40 0 JKABMM O=C(Nc1ccc(Br)cc1F)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020104501 555636763 /nfs/dbraw/zinc/63/67/63/555636763.db2.gz SLSDBANFSGEIBL-UHFFFAOYSA-N -1 1 483.746 5.295 40 0 JKABMM Cc1ccc(SCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020105125 555638375 /nfs/dbraw/zinc/63/83/75/555638375.db2.gz HWPMYQADEPOIFL-UHFFFAOYSA-N -1 1 475.035 5.280 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H](C)CCc3ccccc3)c2)cc1 ZINC000020107358 555640818 /nfs/dbraw/zinc/64/08/18/555640818.db2.gz YYFJOZDIXICYNF-SFHVURJKSA-N -1 1 456.995 5.200 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020108304 555643162 /nfs/dbraw/zinc/64/31/62/555643162.db2.gz YYSYDXXVLRMKRE-GOSISDBHSA-N -1 1 485.049 6.238 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020108306 555643219 /nfs/dbraw/zinc/64/32/19/555643219.db2.gz YYSYDXXVLRMKRE-SFHVURJKSA-N -1 1 485.049 6.238 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3cccc(C)c3)c(Cl)c2)cc1 ZINC000020108959 555644391 /nfs/dbraw/zinc/64/43/91/555644391.db2.gz VUFMYBGYZIIDSI-UHFFFAOYSA-N -1 1 456.995 5.120 40 0 JKABMM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020110235 555646182 /nfs/dbraw/zinc/64/61/82/555646182.db2.gz OGVSTQIJLXQIBZ-HSZRJFAPSA-N -1 1 488.993 5.254 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)c1 ZINC000020110315 555646280 /nfs/dbraw/zinc/64/62/80/555646280.db2.gz XFTJJCOIAGAXHE-UHFFFAOYSA-N -1 1 458.580 5.115 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2C)cc1 ZINC000010313943 555679133 /nfs/dbraw/zinc/67/91/33/555679133.db2.gz RITZNUAIRKUEFW-UHFFFAOYSA-N -1 1 475.035 5.280 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2C)cc1 ZINC000010314195 555679647 /nfs/dbraw/zinc/67/96/47/555679647.db2.gz WOYKSNHJKXZULA-UHFFFAOYSA-N -1 1 470.594 5.624 40 0 JKABMM CCCCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010314466 555680163 /nfs/dbraw/zinc/68/01/63/555680163.db2.gz PCVDXZKONHPJAB-UHFFFAOYSA-N -1 1 480.586 5.313 40 0 JKABMM 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ZINC000010315109 555681675 /nfs/dbraw/zinc/68/16/75/555681675.db2.gz LWCNTIAKPARHHS-UHFFFAOYSA-N -1 1 458.539 5.840 40 0 JKABMM COc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c(OC)cc1Cl ZINC000010315166 555681976 /nfs/dbraw/zinc/68/19/76/555681976.db2.gz GHLOQJUBNHJMKG-UHFFFAOYSA-N -1 1 474.966 5.027 40 0 JKABMM CCOc1ccc2nc(Nc3nc(SCc4ccc(Cl)cc4)cc(=O)[n-]3)nc(C)c2c1 ZINC000010325247 555683995 /nfs/dbraw/zinc/68/39/95/555683995.db2.gz BCLGYMSPFCZPBT-UHFFFAOYSA-N -1 1 453.955 5.110 40 0 JKABMM Cc1ccc(CSCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010328967 555686818 /nfs/dbraw/zinc/68/68/18/555686818.db2.gz PKEJXROYYQOEEP-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2C)cc1 ZINC000010331168 555687701 /nfs/dbraw/zinc/68/77/01/555687701.db2.gz CDQVSOUVFJEHQT-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000010331317 555688054 /nfs/dbraw/zinc/68/80/54/555688054.db2.gz ZWHBMFIJCITNOS-UHFFFAOYSA-N -1 1 472.566 6.149 40 0 JKABMM O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010331662 555688064 /nfs/dbraw/zinc/68/80/64/555688064.db2.gz FPDUTRXZOHQRHO-UHFFFAOYSA-N -1 1 454.857 5.412 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSCc3cccc(C)c3)ccc2C)cc1 ZINC000010332581 555688602 /nfs/dbraw/zinc/68/86/02/555688602.db2.gz QJUIMCZVASDPTE-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Br)cc3F)c2C)cc1 ZINC000010333704 555689149 /nfs/dbraw/zinc/68/91/49/555689149.db2.gz SUIIXBZVUOWKJQ-UHFFFAOYSA-N -1 1 477.355 5.258 40 0 JKABMM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000010333745 555689184 /nfs/dbraw/zinc/68/91/84/555689184.db2.gz XWMQXPSAFDVJAE-UHFFFAOYSA-N -1 1 471.022 6.010 40 0 JKABMM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000010333824 555689193 /nfs/dbraw/zinc/68/91/93/555689193.db2.gz JHMWOXBANIYJLO-UHFFFAOYSA-N -1 1 468.884 5.341 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C)cc1 ZINC000010334945 555690147 /nfs/dbraw/zinc/69/01/47/555690147.db2.gz MZOLZXSFHQGJPU-UHFFFAOYSA-N -1 1 472.566 6.149 40 0 JKABMM CCCCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010335379 555690505 /nfs/dbraw/zinc/69/05/05/555690505.db2.gz LFENLPYRRLPQEA-UHFFFAOYSA-N -1 1 480.586 5.313 40 0 JKABMM O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010360060 555696513 /nfs/dbraw/zinc/69/65/13/555696513.db2.gz CGNXONQRQGPULW-UHFFFAOYSA-N -1 1 474.607 6.032 40 0 JKABMM Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010362590 555697033 /nfs/dbraw/zinc/69/70/33/555697033.db2.gz HQFSWTMMVIJAHX-UHFFFAOYSA-N -1 1 470.594 5.638 40 0 JKABMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000010362250 555697113 /nfs/dbraw/zinc/69/71/13/555697113.db2.gz AGSXTXKBRPZNMX-UHFFFAOYSA-N -1 1 463.386 5.674 40 0 JKABMM O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010364166 555697264 /nfs/dbraw/zinc/69/72/64/555697264.db2.gz VVLXDBDWWRCFIF-UHFFFAOYSA-N -1 1 490.968 5.624 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSCc1cccc(Cl)c1 ZINC000010366538 555698214 /nfs/dbraw/zinc/69/82/14/555698214.db2.gz HMNUVDNUUHYKSJ-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010368460 555698745 /nfs/dbraw/zinc/69/87/45/555698745.db2.gz VQZPMXZAAITYDC-UHFFFAOYSA-N -1 1 456.567 5.315 40 0 JKABMM O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010370761 555699302 /nfs/dbraw/zinc/69/93/02/555699302.db2.gz SSDIPDUGZPQJFA-UHFFFAOYSA-N -1 1 458.539 5.319 40 0 JKABMM O=C(NCCSCc1c(Cl)cccc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010370320 555699343 /nfs/dbraw/zinc/69/93/43/555699343.db2.gz WQHZJHFZHIMYKM-UHFFFAOYSA-N -1 1 495.453 5.457 40 0 JKABMM Cc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010371186 555699647 /nfs/dbraw/zinc/69/96/47/555699647.db2.gz HDKLVPIVQWJIQW-UHFFFAOYSA-N -1 1 493.025 5.252 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000010371369 555699773 /nfs/dbraw/zinc/69/97/73/555699773.db2.gz CYZJGKYMNJOIGV-UHFFFAOYSA-N -1 1 472.566 5.627 40 0 JKABMM Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010371463 555700006 /nfs/dbraw/zinc/70/00/06/555700006.db2.gz DTYKMFPRMSWKJO-UHFFFAOYSA-N -1 1 491.613 5.111 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2)cc1 ZINC000010371767 555700029 /nfs/dbraw/zinc/70/00/29/555700029.db2.gz FSPBNMKZRCQSJG-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2)cc1 ZINC000014153462 555709306 /nfs/dbraw/zinc/70/93/06/555709306.db2.gz SNLZXIXPYQCVBP-UHFFFAOYSA-N -1 1 488.634 6.340 40 0 JKABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)ccc1Cl ZINC000014154017 555710662 /nfs/dbraw/zinc/71/06/62/555710662.db2.gz UGWRXVSLLYVSPS-UHFFFAOYSA-N -1 1 486.977 5.105 40 0 JKABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)ccc1Cl ZINC000014154072 555710964 /nfs/dbraw/zinc/71/09/64/555710964.db2.gz PQTKVUZLEUMJSG-UHFFFAOYSA-N -1 1 486.977 5.105 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2C)c1 ZINC000014154326 555711204 /nfs/dbraw/zinc/71/12/04/555711204.db2.gz PIHZMMGWWPOAMH-UHFFFAOYSA-N -1 1 487.419 5.736 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000014154204 555711256 /nfs/dbraw/zinc/71/12/56/555711256.db2.gz HLRQCOLKBKIMHT-UHFFFAOYSA-N -1 1 450.347 5.747 40 0 JKABMM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1 ZINC000014154466 555711602 /nfs/dbraw/zinc/71/16/02/555711602.db2.gz SYIFDFOADIGCBK-UHFFFAOYSA-N -1 1 486.977 5.105 40 0 JKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c1)CCCC2 ZINC000014154373 555711628 /nfs/dbraw/zinc/71/16/28/555711628.db2.gz BUGUZOPETDIWSC-UHFFFAOYSA-N -1 1 498.626 5.165 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3C)ccc2C)c(C)c1 ZINC000014154672 555712228 /nfs/dbraw/zinc/71/22/28/555712228.db2.gz IFKZZBUSBBXJOT-UHFFFAOYSA-N -1 1 482.671 5.384 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3F)ccc2C)c1 ZINC000014154700 555712262 /nfs/dbraw/zinc/71/22/62/555712262.db2.gz LWUMIGMZJLWQJL-UHFFFAOYSA-N -1 1 491.382 5.567 40 0 JKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc1)CCCC2 ZINC000014154865 555712545 /nfs/dbraw/zinc/71/25/45/555712545.db2.gz DGSQWDUDOQXVMZ-UHFFFAOYSA-N -1 1 498.626 5.165 40 0 JKABMM CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000014155705 555714306 /nfs/dbraw/zinc/71/43/06/555714306.db2.gz GPUTXIGSMBDNDU-UHFFFAOYSA-N -1 1 450.604 6.008 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2C)c(C)c1 ZINC000014155736 555714353 /nfs/dbraw/zinc/71/43/53/555714353.db2.gz RSVHEJHTOPWYMK-UHFFFAOYSA-N -1 1 477.413 5.649 40 0 JKABMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c(C)c1 ZINC000014225011 555734706 /nfs/dbraw/zinc/73/47/06/555734706.db2.gz LDSWSACRWRRCLI-UHFFFAOYSA-N -1 1 499.441 5.520 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3[O-])oc2c(C)c1 ZINC000014270180 555761433 /nfs/dbraw/zinc/76/14/33/555761433.db2.gz VYUNCQNEOXENBZ-UHFFFAOYSA-N -1 1 457.511 5.690 40 0 JKABMM CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)c1 ZINC000014270175 555761520 /nfs/dbraw/zinc/76/15/20/555761520.db2.gz SKFLIPSDKISMMH-UHFFFAOYSA-N -1 1 461.543 5.343 40 0 JKABMM CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c([O-])c2)c1 ZINC000014270202 555761584 /nfs/dbraw/zinc/76/15/84/555761584.db2.gz IECUSWADLPEWKE-UHFFFAOYSA-N -1 1 461.543 5.288 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3[O-])nc2c1 ZINC000014270196 555761604 /nfs/dbraw/zinc/76/16/04/555761604.db2.gz MWIWOZZPTZRUTI-UHFFFAOYSA-N -1 1 451.935 5.543 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)cc3[O-])oc2c1 ZINC000014270161 555761647 /nfs/dbraw/zinc/76/16/47/555761647.db2.gz DOZTZXOVXQJISI-UHFFFAOYSA-N -1 1 451.935 5.218 40 0 JKABMM Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)c(Cl)c1 ZINC000014270219 555761980 /nfs/dbraw/zinc/76/19/80/555761980.db2.gz SENUDKLXMLXLOJ-UHFFFAOYSA-N -1 1 472.353 5.942 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)cc3[O-])oc2c1 ZINC000014275021 555779057 /nfs/dbraw/zinc/77/90/57/555779057.db2.gz DXFFJIVUXFUXLD-UHFFFAOYSA-N -1 1 475.570 5.670 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(Br)c4)cc3[O-])nc2c1 ZINC000014275069 555779290 /nfs/dbraw/zinc/77/92/90/555779290.db2.gz XYTOJAVRLKIULG-UHFFFAOYSA-N -1 1 496.386 5.652 40 0 JKABMM CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c([O-])c2)cc1 ZINC000014275077 555779331 /nfs/dbraw/zinc/77/93/31/555779331.db2.gz SVOQMIXEVVRAPZ-UHFFFAOYSA-N -1 1 489.597 6.069 40 0 JKABMM CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)c1 ZINC000014275094 555779407 /nfs/dbraw/zinc/77/94/07/555779407.db2.gz ZGOALWWNYNARJV-UHFFFAOYSA-N -1 1 495.988 6.015 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000014396145 555801849 /nfs/dbraw/zinc/80/18/49/555801849.db2.gz AJXZTDGFLOVJHT-HNNXBMFYSA-N -1 1 479.385 5.509 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000014396495 555802155 /nfs/dbraw/zinc/80/21/55/555802155.db2.gz ARMGYMJRINBKMR-UHFFFAOYSA-N -1 1 496.654 5.519 40 0 JKABMM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000014396573 555802238 /nfs/dbraw/zinc/80/22/38/555802238.db2.gz IJSBESRENFVIRH-UHFFFAOYSA-N -1 1 458.967 5.247 40 0 JKABMM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000014397125 555802874 /nfs/dbraw/zinc/80/28/74/555802874.db2.gz HMRGCAQNQIJGFR-UHFFFAOYSA-N -1 1 495.000 6.092 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000014397699 555803216 /nfs/dbraw/zinc/80/32/16/555803216.db2.gz GOCLTOBXXWIVBW-UHFFFAOYSA-N -1 1 458.967 5.247 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000014397663 555803228 /nfs/dbraw/zinc/80/32/28/555803228.db2.gz ZESXAJUWJVZWSR-UHFFFAOYSA-N -1 1 458.967 5.247 40 0 JKABMM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000014397368 555803236 /nfs/dbraw/zinc/80/32/36/555803236.db2.gz KNFLHHYSJFBVDA-QHCPKHFHSA-N -1 1 488.993 5.254 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)c1 ZINC000014398032 555803664 /nfs/dbraw/zinc/80/36/64/555803664.db2.gz KLOOHXUJKXNNSH-UHFFFAOYSA-N -1 1 458.967 5.247 40 0 JKABMM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000014399084 555804507 /nfs/dbraw/zinc/80/45/07/555804507.db2.gz YEQWMFDXYVVYMD-KRWDZBQOSA-N -1 1 464.518 5.186 40 0 JKABMM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000014400182 555805573 /nfs/dbraw/zinc/80/55/73/555805573.db2.gz BCEZPGRAZFPDHC-UHFFFAOYSA-N -1 1 458.967 5.084 40 0 JKABMM O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020571122 555823218 /nfs/dbraw/zinc/82/32/18/555823218.db2.gz KLECGQSULPVVPQ-UHFFFAOYSA-N -1 1 490.968 5.624 40 0 JKABMM Cc1ccc(CSc2nnc3c(n2)O[C@H](c2cccc([O-])c2Cl)Nc2ccccc2-3)cc1 ZINC000015015988 555856818 /nfs/dbraw/zinc/85/68/18/555856818.db2.gz JSHBRHJVRBWNBB-JOCHJYFZSA-N -1 1 462.962 6.001 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022109728 555876446 /nfs/dbraw/zinc/87/64/46/555876446.db2.gz UFHKFGGUOIMPLT-UHFFFAOYSA-N -1 1 453.395 5.531 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000022109867 555876886 /nfs/dbraw/zinc/87/68/86/555876886.db2.gz PFOFAGQFTDOJJO-UHFFFAOYSA-N -1 1 467.422 5.921 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022110187 555877222 /nfs/dbraw/zinc/87/72/22/555877222.db2.gz MBLJYHRXHZHWGN-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022110171 555877255 /nfs/dbraw/zinc/87/72/55/555877255.db2.gz VOWYDRWMUDSHJQ-UHFFFAOYSA-N -1 1 484.984 6.122 40 0 JKABMM CCc1n[n-]c(=S)n1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022110394 555877347 /nfs/dbraw/zinc/87/73/47/555877347.db2.gz VCOJOILNKQKABW-UHFFFAOYSA-N -1 1 459.402 6.286 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccccc1OCc1ccccc1Cl ZINC000022110551 555877585 /nfs/dbraw/zinc/87/75/85/555877585.db2.gz NAFJBICAGJOOOQ-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022110560 555877597 /nfs/dbraw/zinc/87/75/97/555877597.db2.gz AELDGIAGZMKPPD-UHFFFAOYSA-N -1 1 487.412 6.246 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000022110741 555877846 /nfs/dbraw/zinc/87/78/46/555877846.db2.gz ZALOXSMBTXNWRK-UHFFFAOYSA-N -1 1 466.538 5.087 40 0 JKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1cc(Br)ccc1OCc1ccccc1 ZINC000022110782 555877922 /nfs/dbraw/zinc/87/79/22/555877922.db2.gz HHJSNNZEQWFROO-UHFFFAOYSA-N -1 1 468.380 5.088 40 0 JKABMM COc1cccc(CNn2c(=S)[n-]nc2-c2ccncc2)c1OCc1ccc(Cl)cc1Cl ZINC000022110662 555877985 /nfs/dbraw/zinc/87/79/85/555877985.db2.gz ZMQUSIFHHSUJJS-UHFFFAOYSA-N -1 1 488.400 5.641 40 0 JKABMM Fc1ccc(COc2ccc(Br)cc2CNn2c(=S)[n-]nc2-c2ccncc2)cc1 ZINC000022110864 555877999 /nfs/dbraw/zinc/87/79/99/555877999.db2.gz YAAHUNGJWAZHGX-UHFFFAOYSA-N -1 1 486.370 5.227 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022111004 555878253 /nfs/dbraw/zinc/87/82/53/555878253.db2.gz RVUGKYQEVPWPON-UHFFFAOYSA-N -1 1 488.400 5.641 40 0 JKABMM Fc1ccccc1COc1ccc2ccccc2c1CNn1c(=S)[n-]nc1-c1ccncc1 ZINC000022111103 555878264 /nfs/dbraw/zinc/87/82/64/555878264.db2.gz NTMGPKNAZJHFRU-UHFFFAOYSA-N -1 1 457.534 5.618 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000022111178 555878599 /nfs/dbraw/zinc/87/85/99/555878599.db2.gz HVNRGPSUYIXCSO-UHFFFAOYSA-N -1 1 462.575 5.256 40 0 JKABMM Cc1cc(C)cc(COCCSc2nc(C(c3ccccc3)c3ccccc3)cc(=O)[n-]2)c1 ZINC000015321212 555898140 /nfs/dbraw/zinc/89/81/40/555898140.db2.gz YJMHEXJHVNGPRY-UHFFFAOYSA-N -1 1 456.611 5.876 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2C)cc1 ZINC000015350189 555900045 /nfs/dbraw/zinc/90/00/45/555900045.db2.gz YGYIABISEHYFDK-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)cc1 ZINC000022255315 555903229 /nfs/dbraw/zinc/90/32/29/555903229.db2.gz WOMUUWACAJRGBF-UHFFFAOYSA-N -1 1 471.623 5.594 40 0 JKABMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000022522663 555930604 /nfs/dbraw/zinc/93/06/04/555930604.db2.gz AOOWEBIFVDIVJI-QGZVFWFLSA-N -1 1 471.022 5.929 40 0 JKABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000022534283 555932985 /nfs/dbraw/zinc/93/29/85/555932985.db2.gz HIIGHOPNOICBNT-MRXNPFEDSA-N -1 1 458.967 5.031 40 0 JKABMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)ccc2N2CCCCC2)cc1 ZINC000012531844 556001772 /nfs/dbraw/zinc/00/17/72/556001772.db2.gz FTDNBAPYDSAPNP-PWRODBHTSA-N -1 1 497.661 5.251 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3[O-])nc2c1 ZINC000016162231 556127728 /nfs/dbraw/zinc/12/77/28/556127728.db2.gz GJSMODWRBVOFPI-UHFFFAOYSA-N -1 1 487.353 6.931 40 0 JKABMM O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1cccc2ccccc21 ZINC000016526250 556142357 /nfs/dbraw/zinc/14/23/57/556142357.db2.gz OOVDSVNYBUOQHZ-UHFFFAOYSA-N -1 1 473.941 6.134 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccccc1)c(C)c2C ZINC000016779600 556159197 /nfs/dbraw/zinc/15/91/97/556159197.db2.gz JPLPCAYTIFUHNY-UHFFFAOYSA-N -1 1 492.597 5.542 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(C)cc1)c(C)c2C ZINC000016807674 556162386 /nfs/dbraw/zinc/16/23/86/556162386.db2.gz RPLNVJOKNALXDD-UHFFFAOYSA-N -1 1 490.625 6.150 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(C)cc1)cc2C ZINC000016807653 556162396 /nfs/dbraw/zinc/16/23/96/556162396.db2.gz OEBGNRBLTJEMKR-UHFFFAOYSA-N -1 1 492.597 5.542 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)N1CCCC1 ZINC000026114826 556245478 /nfs/dbraw/zinc/24/54/78/556245478.db2.gz GZEKFXKVIFHFDZ-UHFFFAOYSA-N -1 1 478.945 5.118 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCCC1 ZINC000026114833 556245490 /nfs/dbraw/zinc/24/54/90/556245490.db2.gz UQPDJHFSOHFILR-UHFFFAOYSA-N -1 1 482.627 5.024 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000026116605 556246647 /nfs/dbraw/zinc/24/66/47/556246647.db2.gz HEAMDAMJKCHKNC-UHFFFAOYSA-N -1 1 459.420 5.142 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1C(=O)N1CCC(C)CC1 ZINC000026118250 556247586 /nfs/dbraw/zinc/24/75/86/556247586.db2.gz QLUKRMGTXFOUNS-UHFFFAOYSA-N -1 1 454.617 5.235 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118257 556247674 /nfs/dbraw/zinc/24/76/74/556247674.db2.gz ZJBJVIKVLIHOBK-UHFFFAOYSA-N -1 1 454.617 5.235 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000026119703 556248557 /nfs/dbraw/zinc/24/85/57/556248557.db2.gz SVYREOXAWSRRPO-UHFFFAOYSA-N -1 1 496.654 6.018 40 0 JKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOCCOc1cccc(C)c1 ZINC000026580625 556257513 /nfs/dbraw/zinc/25/75/13/556257513.db2.gz LVEAYNRAGWLNBZ-QNGOZBTKSA-N -1 1 459.589 5.197 40 0 JKABMM COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3ccc(Cl)cc3)cc(C(C)C)c2[O-])cc1 ZINC000026786942 556263350 /nfs/dbraw/zinc/26/33/50/556263350.db2.gz IHZHXXUCBBMRNO-UHFFFAOYSA-N -1 1 473.978 5.571 40 0 JKABMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206956 556317671 /nfs/dbraw/zinc/31/76/71/556317671.db2.gz UJGUOXGBYUNZTP-CQSZACIVSA-N -1 1 461.370 5.386 40 0 JKABMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206961 556317748 /nfs/dbraw/zinc/31/77/48/556317748.db2.gz GISWYOIZBAIDDO-CQSZACIVSA-N -1 1 461.370 5.386 40 0 JKABMM CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000030751307 556371223 /nfs/dbraw/zinc/37/12/23/556371223.db2.gz OFSGMSBUWQFQNM-QGZVFWFLSA-N -1 1 472.994 5.670 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000030753339 556371948 /nfs/dbraw/zinc/37/19/48/556371948.db2.gz CTUUYTWHBZHYFQ-UHFFFAOYSA-N -1 1 499.592 5.015 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)c2C)cc1 ZINC000030755647 556373230 /nfs/dbraw/zinc/37/32/30/556373230.db2.gz MNHFCNGPNCSXKJ-VWLOTQADSA-N -1 1 450.604 5.621 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSCc3ccccc3)c2)cc1 ZINC000030756993 556373513 /nfs/dbraw/zinc/37/35/13/556373513.db2.gz LEJOVYXEAWDFQZ-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1Cl ZINC000030758220 556373827 /nfs/dbraw/zinc/37/38/27/556373827.db2.gz RXRPGOJGWIDJHL-UHFFFAOYSA-N -1 1 493.368 5.223 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc2)cc1 ZINC000030758927 556374336 /nfs/dbraw/zinc/37/43/36/556374336.db2.gz UJDGHHPRUGDQFJ-HHHXNRCGSA-N -1 1 470.594 5.624 40 0 JKABMM O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030850596 556377209 /nfs/dbraw/zinc/37/72/09/556377209.db2.gz DXZBSBJKHNNSJN-UHFFFAOYSA-N -1 1 490.195 6.353 40 0 JKABMM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000030850218 556377277 /nfs/dbraw/zinc/37/72/77/556377277.db2.gz NGCFNFOFIWJSBL-XMMPIXPASA-N -1 1 466.603 5.517 40 0 JKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000030852221 556378145 /nfs/dbraw/zinc/37/81/45/556378145.db2.gz KSXJXUPKKQPQNI-QFIPXVFZSA-N -1 1 493.412 5.899 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)cc1 ZINC000030859712 556381225 /nfs/dbraw/zinc/38/12/25/556381225.db2.gz JIHBSHQVKHGBFW-DEOSSOPVSA-N -1 1 450.604 5.621 40 0 JKABMM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000030863447 556382500 /nfs/dbraw/zinc/38/25/00/556382500.db2.gz KWFNPTZFWGZWDJ-GOSISDBHSA-N -1 1 476.554 5.055 40 0 JKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccc(OC)cc1 ZINC000030863369 556382509 /nfs/dbraw/zinc/38/25/09/556382509.db2.gz OWGSHNDBBSKEQI-JOCHJYFZSA-N -1 1 458.967 5.031 40 0 JKABMM O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030869546 556384413 /nfs/dbraw/zinc/38/44/13/556384413.db2.gz AGOZNFDYOFBCOJ-UHFFFAOYSA-N -1 1 454.857 5.412 40 0 JKABMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)c3ccc(F)cc3)s2)cc1 ZINC000032594780 556449351 /nfs/dbraw/zinc/44/93/51/556449351.db2.gz DCLPVNIENUDJJE-UKILVPOCSA-N -1 1 487.556 5.256 40 0 JKABMM Cc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CC4(CC(=O)[O-])CCCC4)C=C3C)[nH]c2c1 ZINC000072320924 560077081 /nfs/dbraw/zinc/07/70/81/560077081.db2.gz VCOFKSZHPGCOLH-VABKMULXSA-N -1 1 479.665 5.810 40 0 biogenic,in-vitro JKABMM Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CC4(CC(=O)[O-])CCCC4)C=C3C)[nH]c21 ZINC000072321020 560077838 /nfs/dbraw/zinc/07/78/38/560077838.db2.gz DRHJUAFANPMVHU-VABKMULXSA-N -1 1 479.665 5.810 40 0 biogenic,in-vitro JKABMM Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1 ZINC000059417589 569602786 /nfs/dbraw/zinc/60/27/86/569602786.db2.gz WKGPMEDSYVEVDS-UHFFFAOYSA-N -1 1 496.723 7.304 40 0 JKABMM COc1ccccc1NC(=O)CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2s1 ZINC000059489655 569605685 /nfs/dbraw/zinc/60/56/85/569605685.db2.gz LOGBMAIHDLNGKX-UHFFFAOYSA-N -1 1 499.639 5.145 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1Cl ZINC000033533379 569627391 /nfs/dbraw/zinc/62/73/91/569627391.db2.gz LOQAXXDWPFKNAV-UHFFFAOYSA-N -1 1 485.776 5.465 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NCCC1=CCCCC1 ZINC000033629830 569629157 /nfs/dbraw/zinc/62/91/57/569629157.db2.gz GEZUMPGXVZCUSA-UHFFFAOYSA-N -1 1 483.417 5.180 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000033630737 569629194 /nfs/dbraw/zinc/62/91/94/569629194.db2.gz SHZFFWQDTKDASK-UHFFFAOYSA-N -1 1 496.938 6.039 40 0 JKABMM O=C1[N-]C(=S)SC1=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000033683988 569630644 /nfs/dbraw/zinc/63/06/44/569630644.db2.gz AQJDPEDGWGCFQI-ODLFYWEKSA-N -1 1 456.386 6.510 40 0 JKABMM O=C(COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000033689350 569630824 /nfs/dbraw/zinc/63/08/24/569630824.db2.gz IVXFOMSFHKRWHC-NVNXTCNLSA-N -1 1 483.796 5.449 40 0 JKABMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000033759602 569633785 /nfs/dbraw/zinc/63/37/85/569633785.db2.gz YYSFQZFSAQKJMH-NSIKDUERSA-N -1 1 490.868 6.397 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2C)c1 ZINC000033779271 569634569 /nfs/dbraw/zinc/63/45/69/569634569.db2.gz XITOZEOPAPRSAM-UHFFFAOYSA-N -1 1 473.392 5.427 40 0 JKABMM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000034854306 569667298 /nfs/dbraw/zinc/66/72/98/569667298.db2.gz AGDGXDJYPQKWBE-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000034882514 569668812 /nfs/dbraw/zinc/66/88/12/569668812.db2.gz UJCGKAKKIPAHJE-UHFFFAOYSA-N -1 1 456.567 5.330 40 0 JKABMM O=C(N/C=C\c1cc(Cl)cc(Cl)c1)[C@H](c1csc2ccc(Cl)cc21)[P@@](=O)([O-])O ZINC000071602552 569697175 /nfs/dbraw/zinc/69/71/75/569697175.db2.gz AAWWTPVQFZNTEM-LIMHQNJXSA-N -1 1 476.705 5.867 40 0 JKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000083298927 569708364 /nfs/dbraw/zinc/70/83/64/569708364.db2.gz MELLSXIVODWPSL-YBEGLDIGSA-N -1 1 469.993 5.144 40 0 JKABMM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)CC([O-])(C(F)(F)F)C(F)(F)F ZINC000095680475 569728483 /nfs/dbraw/zinc/72/84/83/569728483.db2.gz OHKBOEWLASAFLW-OCVRYPSCSA-N -1 1 484.521 5.533 40 0 JKABMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-])c1ccccc1 ZINC000036633820 569779509 /nfs/dbraw/zinc/77/95/09/569779509.db2.gz MTSRLLGLSWCDRC-ISKFKSNPSA-N -1 1 473.985 5.762 40 0 JKABMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-])c1ccccc1 ZINC000036633818 569779522 /nfs/dbraw/zinc/77/95/22/569779522.db2.gz MTSRLLGLSWCDRC-VWNXMTODSA-N -1 1 473.985 5.762 40 0 JKABMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])c1ccccc1 ZINC000036633817 569779526 /nfs/dbraw/zinc/77/95/26/569779526.db2.gz MTSRLLGLSWCDRC-UPVQGACJSA-N -1 1 473.985 5.762 40 0 JKABMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc3ccccc3nc2Cl)cc1 ZINC000101031093 569780187 /nfs/dbraw/zinc/78/01/87/569780187.db2.gz ZQMYTSYIOLXNNG-SGNDLWITSA-N -1 1 469.928 5.248 40 0 JKABMM Cc1[nH]c2ccccc2c1[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3C)C([O-])=C2ON1c1ccccc1 ZINC000101144581 569784422 /nfs/dbraw/zinc/78/44/22/569784422.db2.gz XIHVMRAZUQUDDW-DSITVLBTSA-N -1 1 471.944 5.489 40 0 JKABMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3[O-])nc2c1 ZINC000038173230 569799979 /nfs/dbraw/zinc/79/99/79/569799979.db2.gz KMQNEICASDBKDV-UHFFFAOYSA-N -1 1 497.576 6.512 40 0 JKABMM O=C(NCc1ccc(Cl)cc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000038752289 569806307 /nfs/dbraw/zinc/80/63/07/569806307.db2.gz AWYQMIOKJQCDKN-UHFFFAOYSA-N -1 1 469.777 5.378 40 0 JKABMM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c1 ZINC000038754862 569806779 /nfs/dbraw/zinc/80/67/79/569806779.db2.gz YKWVCJHRBBNRJA-IBGZPJMESA-N -1 1 487.021 5.780 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2C)c(C)c1 ZINC000038757221 569807487 /nfs/dbraw/zinc/80/74/87/569807487.db2.gz NYSKAXLXHALEGN-RUZDIDTESA-N -1 1 464.631 5.930 40 0 JKABMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000038772162 569807622 /nfs/dbraw/zinc/80/76/22/569807622.db2.gz NVPXZLMDTNVZJB-QGZVFWFLSA-N -1 1 480.973 5.700 40 0 JKABMM O=C1[C@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707095 569816704 /nfs/dbraw/zinc/81/67/04/569816704.db2.gz LKKNGOPEDJTLJJ-DSITVLBTSA-N -1 1 499.364 5.653 40 0 JKABMM Cc1nc2nc(N3c4ccccc4C[C@@H]3C)[n-]c(=O)c2c(=S)n1-c1ccc2ccccc2c1 ZINC000040386943 569824329 /nfs/dbraw/zinc/82/43/29/569824329.db2.gz KKTCQLNJFMHPIU-HNNXBMFYSA-N -1 1 451.555 5.383 40 0 JKABMM C[C@H]1Cc2ccccc2N1c1nc2ncn(-c3cc(Cl)cc(Cl)c3)c(=S)c2c(=O)[n-]1 ZINC000040385806 569824350 /nfs/dbraw/zinc/82/43/50/569824350.db2.gz ZYQVQVJPZPERMH-NSHDSACASA-N -1 1 456.358 5.228 40 0 JKABMM Cc1nc(Nc2ccccc2)sc1C([O-])=CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000102942218 569829627 /nfs/dbraw/zinc/82/96/27/569829627.db2.gz KYAWNUYEAQSZHJ-UHFFFAOYSA-N -1 1 463.603 6.223 40 0 JKABMM Cc1nc(Nc2ccccc2)sc1C(=O)C=C([O-])C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000102942218 569829628 /nfs/dbraw/zinc/82/96/28/569829628.db2.gz KYAWNUYEAQSZHJ-UHFFFAOYSA-N -1 1 463.603 6.223 40 0 JKABMM [O-]c1cc2c(cc1Cl)[C@H](c1ccccc1)[C@@H]1CCC[C@@H]3[C@H](c4ccccc4)NC(=S)N[C@@]31O2 ZINC000103007058 569831536 /nfs/dbraw/zinc/83/15/36/569831536.db2.gz OJVFCCKMQFSLLN-VODJCNEOSA-N -1 1 477.029 5.902 40 0 JKABMM [O-]c1cc2c(cc1Cl)[C@H](c1ccccc1)[C@@H]1CCC[C@@H]3[C@@H](c4ccccc4)NC(=S)N[C@@]31O2 ZINC000103007060 569831573 /nfs/dbraw/zinc/83/15/73/569831573.db2.gz OJVFCCKMQFSLLN-RYEKIXQFSA-N -1 1 477.029 5.902 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C)cc1C ZINC000107851892 569857648 /nfs/dbraw/zinc/85/76/48/569857648.db2.gz LKMSDHVYUNUUDR-UHFFFAOYSA-N -1 1 486.593 6.457 40 0 JKABMM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000108231404 569859182 /nfs/dbraw/zinc/85/91/82/569859182.db2.gz ORPVNOMAISQPOF-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214429108 569876649 /nfs/dbraw/zinc/87/66/49/569876649.db2.gz BOFCZLACWSAPHO-GIDUJCDVSA-N -1 1 459.148 5.698 40 0 JKABMM O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216266627 569878098 /nfs/dbraw/zinc/87/80/98/569878098.db2.gz VSJSSCVLGYOXNL-UHFFFAOYSA-N -1 1 489.302 6.065 40 0 JKABMM O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216375341 569878537 /nfs/dbraw/zinc/87/85/37/569878537.db2.gz YPTKVQAGCRKZLV-UHFFFAOYSA-N -1 1 489.302 6.065 40 0 JKABMM O=C(Nc1ccccc1Sc1ccccc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216382919 569878640 /nfs/dbraw/zinc/87/86/40/569878640.db2.gz KSXVEYWEOYZVTJ-UHFFFAOYSA-N -1 1 495.025 6.544 40 0 JKABMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000216397589 569878684 /nfs/dbraw/zinc/87/86/84/569878684.db2.gz GJWURSWFSNBXKD-FQEVSTJZSA-N -1 1 479.385 5.590 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1C ZINC000216410938 569878737 /nfs/dbraw/zinc/87/87/37/569878737.db2.gz LRFRNVJQWLYBOE-XMMPIXPASA-N -1 1 450.604 5.621 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCCc3ccccc3Cl)c2)cc1 ZINC000216416437 569878806 /nfs/dbraw/zinc/87/88/06/569878806.db2.gz FIMJXTGBSZOTOU-UHFFFAOYSA-N -1 1 477.413 5.465 40 0 JKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c(C)c1 ZINC000216429233 569878862 /nfs/dbraw/zinc/87/88/62/569878862.db2.gz YVSYSUPDTKITGE-OAQYLSRUSA-N -1 1 450.604 5.521 40 0 JKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1C ZINC000216465119 569878963 /nfs/dbraw/zinc/87/89/63/569878963.db2.gz BWXSTJKCVGYRDO-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000216495779 569879107 /nfs/dbraw/zinc/87/91/07/569879107.db2.gz NOXSCLGGOFYNLO-UHFFFAOYSA-N -1 1 466.946 5.555 40 0 JKABMM CCCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)s1 ZINC000222597712 569886673 /nfs/dbraw/zinc/88/66/73/569886673.db2.gz JCFAQSJSZAGCSR-UHFFFAOYSA-N -1 1 476.649 5.019 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)c(C)c1 ZINC000222771938 569890761 /nfs/dbraw/zinc/89/07/61/569890761.db2.gz YOVVJZXNWPVSEO-UHFFFAOYSA-N -1 1 458.583 5.496 40 0 JKABMM O=C(NCc1ccc2ccccc2c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000222794106 569891242 /nfs/dbraw/zinc/89/12/42/569891242.db2.gz VBXPPIXIPJKSQC-UHFFFAOYSA-N -1 1 450.947 5.224 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc4ccccc4c3)c(Cl)c2)cc1 ZINC000222794382 569891266 /nfs/dbraw/zinc/89/12/66/569891266.db2.gz ABBKVCHXPJTPPX-UHFFFAOYSA-N -1 1 464.974 5.532 40 0 JKABMM C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000222837540 569892276 /nfs/dbraw/zinc/89/22/76/569892276.db2.gz AEQZADLJLCJNNB-HNNXBMFYSA-N -1 1 491.396 5.151 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2C)c1 ZINC000222849803 569892679 /nfs/dbraw/zinc/89/26/79/569892679.db2.gz AOTYDUOZAIINIK-UHFFFAOYSA-N -1 1 458.583 5.496 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3cccc4ccccc43)c2)cc1 ZINC000222870861 569893196 /nfs/dbraw/zinc/89/31/96/569893196.db2.gz 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ZINC000408906520 570070881 /nfs/dbraw/zinc/07/08/81/570070881.db2.gz GMMBHKWRGQCDEX-UHFFFAOYSA-N -1 1 474.607 6.032 40 0 JKABMM Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000408906689 570070962 /nfs/dbraw/zinc/07/09/62/570070962.db2.gz DDWXQGRJCMGTJW-UHFFFAOYSA-N -1 1 461.008 5.488 40 0 JKABMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408907461 570071253 /nfs/dbraw/zinc/07/12/53/570071253.db2.gz OOXAZPWQKBEJEP-UHFFFAOYSA-N -1 1 484.883 5.421 40 0 JKABMM Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000408920636 570077074 /nfs/dbraw/zinc/07/70/74/570077074.db2.gz LBAZYLNPYDFSFC-UHFFFAOYSA-N -1 1 475.035 5.630 40 0 JKABMM COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000408921682 570077347 /nfs/dbraw/zinc/07/73/47/570077347.db2.gz UUXYAUOUGTUEIL-UHFFFAOYSA-N -1 1 491.034 5.330 40 0 JKABMM O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408922635 570077616 /nfs/dbraw/zinc/07/76/16/570077616.db2.gz PSXPIPJPYVYTOD-UHFFFAOYSA-N -1 1 469.872 5.804 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1 ZINC000408922640 570077676 /nfs/dbraw/zinc/07/76/76/570077676.db2.gz GEBBOIJSDYKTFT-KRWDZBQOSA-N -1 1 475.035 5.710 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3cccc(Cl)c3)cc2)c1 ZINC000408923260 570077800 /nfs/dbraw/zinc/07/78/00/570077800.db2.gz AYDFMLIOAAPCEC-UHFFFAOYSA-N -1 1 461.008 5.321 40 0 JKABMM C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408924190 570078005 /nfs/dbraw/zinc/07/80/05/570078005.db2.gz DFZLYJIPYLZJNQ-OAHLLOKOSA-N -1 1 480.533 5.626 40 0 JKABMM CCOc1ccc2nc(Sc3ccc(-c4nc5sc(C)c(C)c5c(=O)[n-]4)o3)sc2c1 ZINC000408989340 570093534 /nfs/dbraw/zinc/09/35/34/570093534.db2.gz HKLIFNYHOHBPEI-UHFFFAOYSA-N -1 1 455.586 6.433 40 0 JKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1cccc2ccccc21 ZINC000408993772 570094891 /nfs/dbraw/zinc/09/48/91/570094891.db2.gz 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O=C1S/C(=C/c2cc(Cl)cc(I)c2[O-])C(=O)N1CC1CCCCC1 ZINC000409140311 570144277 /nfs/dbraw/zinc/14/42/77/570144277.db2.gz DMLKWJUIHJZNNX-VGOFMYFVSA-N -1 1 477.751 5.267 40 0 JKABMM O=C([O-])c1sc2ccccc2c1C[C@H]1CCCN1CC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000257329591 570147355 /nfs/dbraw/zinc/14/73/55/570147355.db2.gz XKRDZBLBGWOXKU-LJQANCHMSA-N -1 1 487.581 5.432 40 0 JKABMM Cc1cccc(Cc2cncc([C@H]3CCC[N@H+]3Cc3ccc(-c4ccc(C(=O)[O-])c(O)c4)o3)n2)c1 ZINC000257337274 570149600 /nfs/dbraw/zinc/14/96/00/570149600.db2.gz YSCUNIJVEVOQJE-RUZDIDTESA-N -1 1 469.541 5.377 40 0 JKABMM Cc1cccc(Cc2cncc([C@H]3CCCN3Cc3ccc(-c4ccc(C(=O)[O-])c(O)c4)o3)n2)c1 ZINC000257337274 570149601 /nfs/dbraw/zinc/14/96/01/570149601.db2.gz YSCUNIJVEVOQJE-RUZDIDTESA-N -1 1 469.541 5.377 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000409166390 570153462 /nfs/dbraw/zinc/15/34/62/570153462.db2.gz FIVQKDBCGAUVLZ-JJIBRWJFSA-N -1 1 492.984 6.222 40 0 JKABMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000409171525 570155047 /nfs/dbraw/zinc/15/50/47/570155047.db2.gz CYSCEOPFELUIGD-INIZCTEOSA-N -1 1 461.008 5.569 40 0 JKABMM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000409171526 570155112 /nfs/dbraw/zinc/15/51/12/570155112.db2.gz CYSCEOPFELUIGD-MRXNPFEDSA-N -1 1 461.008 5.569 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000409171807 570155175 /nfs/dbraw/zinc/15/51/75/570155175.db2.gz AWOYOSLEZOAQBK-NTUHNPAUSA-N -1 1 461.370 5.755 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1Cl ZINC000409174813 570156402 /nfs/dbraw/zinc/15/64/02/570156402.db2.gz VNQDSHGJXCWKME-UHFFFAOYSA-N -1 1 476.985 6.369 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000409177555 570157622 /nfs/dbraw/zinc/15/76/22/570157622.db2.gz CAEHEFAECAZHFG-UHFFFAOYSA-N -1 1 456.567 6.024 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 ZINC000409179896 570158591 /nfs/dbraw/zinc/15/85/91/570158591.db2.gz PITDHBIFXXFZHM-LHLOQNFPSA-N -1 1 468.578 5.975 40 0 JKABMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000409182817 570159945 /nfs/dbraw/zinc/15/99/45/570159945.db2.gz OTWAWURWOZEHOO-INIZCTEOSA-N -1 1 461.008 5.569 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1Cl ZINC000409184716 570160531 /nfs/dbraw/zinc/16/05/31/570160531.db2.gz ZVZYXFPNWYZELV-NTUHNPAUSA-N -1 1 461.370 5.755 40 0 JKABMM Cc1n[nH]c(SC(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[O-])n1 ZINC000409191768 570162102 /nfs/dbraw/zinc/16/21/02/570162102.db2.gz MULIOOGSWBQESF-OCKHKDLRSA-N -1 1 459.358 5.641 40 0 JKABMM Cc1nc(SC(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000409191768 570162104 /nfs/dbraw/zinc/16/21/04/570162104.db2.gz MULIOOGSWBQESF-OCKHKDLRSA-N -1 1 459.358 5.641 40 0 JKABMM Cc1n[nH]c(SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)[O-])n1 ZINC000409192425 570162371 /nfs/dbraw/zinc/16/23/71/570162371.db2.gz XJJQRQYEYXFQHR-MFOYZWKCSA-N -1 1 480.771 5.326 40 0 JKABMM Cc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)[O-])n[nH]1 ZINC000409192425 570162372 /nfs/dbraw/zinc/16/23/72/570162372.db2.gz XJJQRQYEYXFQHR-MFOYZWKCSA-N -1 1 480.771 5.326 40 0 JKABMM CCOc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000409193812 570162830 /nfs/dbraw/zinc/16/28/30/570162830.db2.gz MTQGGHBYBLTWCH-OCKHKDLRSA-N -1 1 480.373 5.615 40 0 JKABMM CCOc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000409193812 570162831 /nfs/dbraw/zinc/16/28/31/570162831.db2.gz MTQGGHBYBLTWCH-OCKHKDLRSA-N -1 1 480.373 5.615 40 0 JKABMM O=c1[n-]c(SCc2ccc(Cl)cc2)n[n+]2c1-c1ccccc1N[C@@H]2c1cccc([O-])c1Cl ZINC000261361977 570167348 /nfs/dbraw/zinc/16/73/48/570167348.db2.gz BOCWQUKZKJFNBZ-NRFANRHFSA-O -1 1 484.388 5.414 40 0 JKABMM CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1ccc(Br)cc1 ZINC000409251252 570185871 /nfs/dbraw/zinc/18/58/71/570185871.db2.gz PAVJKYDDLGUKKL-UHFFFAOYSA-N -1 1 451.320 5.743 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Cl)cc1 ZINC000408530361 570187722 /nfs/dbraw/zinc/18/77/22/570187722.db2.gz KQPPZGWNGPQIEG-UHFFFAOYSA-N -1 1 485.776 5.465 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)cc1 ZINC000408545316 570192786 /nfs/dbraw/zinc/19/27/86/570192786.db2.gz KHIVJINIEHLNRV-UHFFFAOYSA-N -1 1 456.567 6.024 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3C)ccc2C)c1 ZINC000408545680 570192983 /nfs/dbraw/zinc/19/29/83/570192983.db2.gz MGMOPVQNCRTVFR-UHFFFAOYSA-N -1 1 482.671 5.384 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2C)cc1C ZINC000408546074 570193261 /nfs/dbraw/zinc/19/32/61/570193261.db2.gz QGUSHWFNIGOGDS-UHFFFAOYSA-N -1 1 450.604 6.097 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1C ZINC000408546124 570193297 /nfs/dbraw/zinc/19/32/97/570193297.db2.gz QUSXPBBSOXNDMB-UHFFFAOYSA-N -1 1 462.615 5.199 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3F)ccc2C)c1 ZINC000408546748 570193454 /nfs/dbraw/zinc/19/34/54/570193454.db2.gz UYTKIGOHXBTHEY-UHFFFAOYSA-N -1 1 491.382 5.567 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2C)cc1C ZINC000408546802 570193512 /nfs/dbraw/zinc/19/35/12/570193512.db2.gz GLXYSCNUQZHGON-UHFFFAOYSA-N -1 1 487.419 5.736 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3cccc(Cl)c3)ccc2C)c1 ZINC000408547711 570193951 /nfs/dbraw/zinc/19/39/51/570193951.db2.gz LSQWQOFPFCXKMI-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccc(SCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000408549301 570194419 /nfs/dbraw/zinc/19/44/19/570194419.db2.gz XBBBYFSGFITFQR-UHFFFAOYSA-N -1 1 468.644 5.243 40 0 JKABMM Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408550576 570194999 /nfs/dbraw/zinc/19/49/99/570194999.db2.gz DMBWOGTZXMRSBF-UHFFFAOYSA-N -1 1 499.803 5.774 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408553927 570195995 /nfs/dbraw/zinc/19/59/95/570195995.db2.gz ACQOLRVYZOPJKA-UHFFFAOYSA-N -1 1 462.980 5.124 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408553995 570196069 /nfs/dbraw/zinc/19/60/69/570196069.db2.gz AXJCNSXOKSNVNJ-UHFFFAOYSA-N -1 1 485.776 5.709 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408554076 570196094 /nfs/dbraw/zinc/19/60/94/570196094.db2.gz YVGRDXYJVPHRKZ-UHFFFAOYSA-N -1 1 451.331 5.055 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408554006 570196123 /nfs/dbraw/zinc/19/61/23/570196123.db2.gz AZYRAWBLGNUZII-UHFFFAOYSA-N -1 1 479.385 5.754 40 0 JKABMM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408554523 570196332 /nfs/dbraw/zinc/19/63/32/570196332.db2.gz SUVLRFBTIIREHO-UHFFFAOYSA-N -1 1 479.385 5.374 40 0 JKABMM Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408554458 570196360 /nfs/dbraw/zinc/19/63/60/570196360.db2.gz SBQLWENPECISQM-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408555144 570196765 /nfs/dbraw/zinc/19/67/65/570196765.db2.gz DWIGMOFSURCKKL-UHFFFAOYSA-N -1 1 499.803 6.017 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557837 570198558 /nfs/dbraw/zinc/19/85/58/570198558.db2.gz HWBNFGRPBCDHNU-UHFFFAOYSA-N -1 1 483.348 5.584 40 0 JKABMM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000408558557 570199047 /nfs/dbraw/zinc/19/90/47/570199047.db2.gz JRONTEVWNHITIX-UHFFFAOYSA-N -1 1 497.425 5.534 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559060 570199442 /nfs/dbraw/zinc/19/94/42/570199442.db2.gz VGJUUMLIVRHKRX-UHFFFAOYSA-N -1 1 499.803 6.099 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559129 570199542 /nfs/dbraw/zinc/19/95/42/570199542.db2.gz VSEGTYAQIKRKAR-UHFFFAOYSA-N -1 1 499.803 6.099 40 0 JKABMM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000408559873 570200100 /nfs/dbraw/zinc/20/01/00/570200100.db2.gz WXYPZSQZWHADRY-UHFFFAOYSA-N -1 1 497.425 5.534 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408560027 570200166 /nfs/dbraw/zinc/20/01/66/570200166.db2.gz ZOMCKAKVETUXDQ-UHFFFAOYSA-N -1 1 479.385 5.754 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1F ZINC000408577312 570206147 /nfs/dbraw/zinc/20/61/47/570206147.db2.gz YHPCPNKJUPYKRC-UHFFFAOYSA-N -1 1 472.847 5.551 40 0 JKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3ccccc3)c2)cc1 ZINC000408586757 570208236 /nfs/dbraw/zinc/20/82/36/570208236.db2.gz QPPSYPMLVWYISB-UHFFFAOYSA-N -1 1 496.585 5.095 40 0 JKABMM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408592033 570209358 /nfs/dbraw/zinc/20/93/58/570209358.db2.gz NIICOFNFCUKMRT-UHFFFAOYSA-N -1 1 498.910 5.486 40 0 JKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccc(Br)cc4)ccc32)cc1 ZINC000020766050 195221368 /nfs/dbraw/zinc/22/13/68/195221368.db2.gz VUGSACUDABEGSN-UHFFFAOYSA-N -1 1 485.403 5.151 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000020766395 195221591 /nfs/dbraw/zinc/22/15/91/195221591.db2.gz QZJAWOZJGPDJCT-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1Cl ZINC000020766517 195222175 /nfs/dbraw/zinc/22/21/75/195222175.db2.gz ZMUBKISQMSBKCF-UHFFFAOYSA-N -1 1 491.396 5.396 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767192 195222547 /nfs/dbraw/zinc/22/25/47/195222547.db2.gz JMTNMIFKWCQVIL-UHFFFAOYSA-N -1 1 475.397 5.696 40 0 JKABMM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc21 ZINC000020767211 195222862 /nfs/dbraw/zinc/22/28/62/195222862.db2.gz JHDKZULHJMQMFL-UHFFFAOYSA-N -1 1 494.922 5.753 40 0 JKABMM O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021305948 195293651 /nfs/dbraw/zinc/29/36/51/195293651.db2.gz RUXTXUOYBXYQGD-XCVCLJGOSA-N -1 1 465.333 5.585 40 0 JKABMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059249434 195396010 /nfs/dbraw/zinc/39/60/10/195396010.db2.gz LJJRLEHWJZNOMF-FYJGNVAPSA-N -1 1 491.638 5.919 40 0 JKABMM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000020457793 519024292 /nfs/dbraw/zinc/02/42/92/519024292.db2.gz ZZMSRQXKCOXRMY-UHFFFAOYSA-N -1 1 472.404 5.778 40 0 JKABMM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000030757036 521283593 /nfs/dbraw/zinc/28/35/93/521283593.db2.gz MUOURQDHRLGXKE-UHFFFAOYSA-N -1 1 456.995 6.044 40 0 JKABMM CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000022526681 521777977 /nfs/dbraw/zinc/77/79/77/521777977.db2.gz HKXVPXVGOJFZJW-UHFFFAOYSA-N -1 1 454.617 5.777 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc(C)cc1 ZINC000022518845 522531284 /nfs/dbraw/zinc/53/12/84/522531284.db2.gz YMUIHBZDTOPZLC-QHCPKHFHSA-N -1 1 450.604 5.602 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccc(OC)cc1 ZINC000020493631 522532434 /nfs/dbraw/zinc/53/24/34/522532434.db2.gz UDWAYVZZSODJSH-QHCPKHFHSA-N -1 1 466.603 5.302 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccc(OC)cc1 ZINC000020493630 522783550 /nfs/dbraw/zinc/78/35/50/522783550.db2.gz UDWAYVZZSODJSH-HSZRJFAPSA-N -1 1 466.603 5.302 40 0 JKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000022511270 522872884 /nfs/dbraw/zinc/87/28/84/522872884.db2.gz ZAKHNXJEROQTHH-DEOSSOPVSA-N -1 1 452.576 5.209 40 0 JKABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000022526521 522874048 /nfs/dbraw/zinc/87/40/48/522874048.db2.gz VWBIDMNCJJHOHR-NRFANRHFSA-N -1 1 462.930 5.076 40 0 JKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000020455024 522879556 /nfs/dbraw/zinc/87/95/56/522879556.db2.gz UJXRYWZVASOHCZ-VWLOTQADSA-N -1 1 495.000 6.090 40 0 JKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020488378 522885025 /nfs/dbraw/zinc/88/50/25/522885025.db2.gz VNQYOSFJEZFIJW-QFIPXVFZSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000022511265 523040471 /nfs/dbraw/zinc/04/04/71/523040471.db2.gz ZAKHNXJEROQTHH-XMMPIXPASA-N -1 1 452.576 5.209 40 0 JKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000038753527 523040595 /nfs/dbraw/zinc/04/05/95/523040595.db2.gz PXUMQKLBFVHKNN-HSZRJFAPSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020458456 523042196 /nfs/dbraw/zinc/04/21/96/523042196.db2.gz FURLBGKRZFCFJK-RUZDIDTESA-N -1 1 478.545 5.576 40 0 JKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020457007 523046546 /nfs/dbraw/zinc/04/65/46/523046546.db2.gz IUZXSBJVZQBSGP-HHHXNRCGSA-N -1 1 488.609 6.054 40 0 JKABMM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044945960 523052870 /nfs/dbraw/zinc/05/28/70/523052870.db2.gz AUFLYWFFLBXOCA-OAQYLSRUSA-N -1 1 479.385 5.590 40 0 JKABMM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000044900161 523054643 /nfs/dbraw/zinc/05/46/43/523054643.db2.gz GNBZZYVNFIMLDB-XMMPIXPASA-N -1 1 495.000 6.090 40 0 JKABMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000022531040 523059413 /nfs/dbraw/zinc/05/94/13/523059413.db2.gz IZAGAXWLZRJIHM-RUZDIDTESA-N -1 1 474.582 5.745 40 0 JKABMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020458725 523059794 /nfs/dbraw/zinc/05/97/94/523059794.db2.gz AFABVMKEDBUPFY-JOCHJYFZSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020486488 523060513 /nfs/dbraw/zinc/06/05/13/523060513.db2.gz YTKDRHLUBFZHPZ-OAQYLSRUSA-N -1 1 493.412 5.899 40 0 JKABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000022533395 523061255 /nfs/dbraw/zinc/06/12/55/523061255.db2.gz KDJPVSWOGRDWAK-OAQYLSRUSA-N -1 1 458.967 5.245 40 0 JKABMM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1 ZINC000020453451 524249815 /nfs/dbraw/zinc/24/98/15/524249815.db2.gz XBBXJSJRPKQURG-SFHVURJKSA-N -1 1 472.994 5.472 40 0 JKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000020456120 524276261 /nfs/dbraw/zinc/27/62/61/524276261.db2.gz LELHJAFDRFRIGI-UHFFFAOYSA-N -1 1 482.911 5.649 40 0 JKABMM Cc1ccc(CSCCNC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000044883259 524645174 /nfs/dbraw/zinc/64/51/74/524645174.db2.gz VWLOTFLSJGEJLN-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2C)c1C ZINC000020494774 524690644 /nfs/dbraw/zinc/69/06/44/524690644.db2.gz QAARFRNHFMRVIU-LJAQVGFWSA-N -1 1 498.648 6.240 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl ZINC000044886308 525087159 /nfs/dbraw/zinc/08/71/59/525087159.db2.gz ZUWGXDOUOOLVCX-UHFFFAOYSA-N -1 1 457.979 5.678 40 0 JKABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)c1ccc(F)cc1 ZINC000022537543 525118421 /nfs/dbraw/zinc/11/84/21/525118421.db2.gz NZLSXHBAMQESEJ-CQSZACIVSA-N -1 1 497.375 5.190 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000020482787 525174947 /nfs/dbraw/zinc/17/49/47/525174947.db2.gz NKXVEVIDZBNNFI-AREMUKBSSA-N -1 1 494.657 5.938 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000022513055 525175389 /nfs/dbraw/zinc/17/53/89/525175389.db2.gz ZICSHHCBOIALMJ-AREMUKBSSA-N -1 1 494.657 5.938 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000044900118 525175947 /nfs/dbraw/zinc/17/59/47/525175947.db2.gz JIOVWKHVJACCHU-RUZDIDTESA-N -1 1 480.630 5.630 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000044845550 525176614 /nfs/dbraw/zinc/17/66/14/525176614.db2.gz VCDMQRAZABUSPS-AREMUKBSSA-N -1 1 480.630 5.630 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000044901240 525271552 /nfs/dbraw/zinc/27/15/52/525271552.db2.gz CTPBOHGAPNTUTG-UHFFFAOYSA-N -1 1 495.453 5.975 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000044845034 525348817 /nfs/dbraw/zinc/34/88/17/525348817.db2.gz XCJRUJFDYYUAQD-VWLOTQADSA-N -1 1 480.630 5.630 40 0 JKABMM Cc1ccccc1[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000020489748 525372936 /nfs/dbraw/zinc/37/29/36/525372936.db2.gz QVSNXRCIXFQUNZ-SANMLTNESA-N -1 1 456.567 5.315 40 0 JKABMM Cc1ccccc1[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1 ZINC000044900676 525373200 /nfs/dbraw/zinc/37/32/00/525373200.db2.gz XJUCAILAGKVINF-MHZLTWQESA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCc3ccc(C(C)C)cc3)c2)cc1 ZINC000022509223 525602134 /nfs/dbraw/zinc/60/21/34/525602134.db2.gz MLZJJJHILZUTKM-UHFFFAOYSA-N -1 1 471.022 5.545 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c2ccccc2)cc1 ZINC000020490924 525772933 /nfs/dbraw/zinc/77/29/33/525772933.db2.gz AGVXNBRDCVMDHA-NDEPHWFRSA-N -1 1 484.621 5.932 40 0 JKABMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020494180 525948045 /nfs/dbraw/zinc/94/80/45/525948045.db2.gz GFXYWMFPYCBJQW-ZDUSSCGKSA-N -1 1 499.803 5.854 40 0 JKABMM O=C(NCCCc1ccc(Cl)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020486352 526271763 /nfs/dbraw/zinc/27/17/63/526271763.db2.gz DTUMPIUMKPGYMI-UHFFFAOYSA-N -1 1 463.386 5.157 40 0 JKABMM O=C(NCCSCc1cccc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020455336 526372254 /nfs/dbraw/zinc/37/22/54/526372254.db2.gz RQOUAIOWJSWCMB-UHFFFAOYSA-N -1 1 495.453 5.457 40 0 JKABMM O=C(NCCSc1ccc(Cl)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020481632 526374212 /nfs/dbraw/zinc/37/42/12/526374212.db2.gz INOZWRMHIHMNAB-UHFFFAOYSA-N -1 1 481.426 5.316 40 0 JKABMM Cc1nc(NS(=O)(=O)c2ccc3c(c2)[C@H]2[C@@H]4CC[C@@H](C4)[C@@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)oc1C ZINC000012372701 526999745 /nfs/dbraw/zinc/99/97/45/526999745.db2.gz YSEYIDAXQSRKGV-XFXJRTLBSA-N -1 1 493.585 5.087 40 0 JKABMM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020484570 527024636 /nfs/dbraw/zinc/02/46/36/527024636.db2.gz SQUWXCSEFWVIEG-UHFFFAOYSA-N -1 1 464.971 5.152 40 0 JKABMM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020491895 527173425 /nfs/dbraw/zinc/17/34/25/527173425.db2.gz DSUPIULEAMWFRE-UHFFFAOYSA-N -1 1 489.302 6.065 40 0 JKABMM O=C(Nc1ccccc1Br)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000044845237 527407988 /nfs/dbraw/zinc/40/79/88/527407988.db2.gz WULOAOOYFOSNFE-UHFFFAOYSA-N -1 1 465.756 5.156 40 0 JKABMM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000096297362 535284865 /nfs/dbraw/zinc/28/48/65/535284865.db2.gz MMWXNOTWBPHFDY-QKDODKLFSA-N -1 1 486.568 5.234 40 0 JKABMM O=S(=O)([N-]c1cc2c3c(oc2c(Br)c1)CCCC3)c1ccc2ccccc2c1 ZINC000000822587 553786962 /nfs/dbraw/zinc/78/69/62/553786962.db2.gz CLPDLGSUQQLUAD-UHFFFAOYSA-N -1 1 456.361 6.028 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)CCNc3ccc(Cc4ccncc4)cc3)cc2)cc1 ZINC000008783523 554680293 /nfs/dbraw/zinc/68/02/93/554680293.db2.gz SFJBMCXCZHWCPV-UHFFFAOYSA-N -1 1 485.609 5.467 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810066 554689149 /nfs/dbraw/zinc/68/91/49/554689149.db2.gz MMSJILNULFMKMH-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1F)c1cccc(Cl)c1 ZINC000008810222 554689686 /nfs/dbraw/zinc/68/96/86/554689686.db2.gz XTPOWPRWEMLRRF-UHFFFAOYSA-N -1 1 483.746 5.295 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1F)c1ccccc1Cl ZINC000008810391 554690133 /nfs/dbraw/zinc/69/01/33/554690133.db2.gz XDWCVENLGYQZQI-UHFFFAOYSA-N -1 1 473.740 5.839 40 0 JKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810383 554690268 /nfs/dbraw/zinc/69/02/68/554690268.db2.gz VRZXQLUUEPZOED-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000008810516 554690454 /nfs/dbraw/zinc/69/04/54/554690454.db2.gz POCJDVWHCQGYSN-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c(C)c1 ZINC000008810520 554690462 /nfs/dbraw/zinc/69/04/62/554690462.db2.gz DGMXYGAVTNTFQC-UHFFFAOYSA-N -1 1 467.349 5.802 40 0 JKABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1 ZINC000008810456 554690470 /nfs/dbraw/zinc/69/04/70/554690470.db2.gz JWMOOLFTEWOWDE-UHFFFAOYSA-N -1 1 460.958 5.875 40 0 JKABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000008810523 554690671 /nfs/dbraw/zinc/69/06/71/554690671.db2.gz IBIZTJPFNDVSPW-UHFFFAOYSA-N -1 1 481.376 6.056 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810535 554690683 /nfs/dbraw/zinc/69/06/83/554690683.db2.gz ZYLFQABKXVOKNL-UHFFFAOYSA-N -1 1 473.740 5.839 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810534 554690692 /nfs/dbraw/zinc/69/06/92/554690692.db2.gz IVGFAODDLXCMFR-UHFFFAOYSA-N -1 1 473.740 5.839 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000008810536 554690709 /nfs/dbraw/zinc/69/07/09/554690709.db2.gz UDQZTWHJFFTRHP-UHFFFAOYSA-N -1 1 487.767 6.147 40 0 JKABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810596 554691065 /nfs/dbraw/zinc/69/10/65/554691065.db2.gz MIKCFYWSLHSRAP-UHFFFAOYSA-N -1 1 495.403 6.528 40 0 JKABMM CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)c1 ZINC000008833336 554730787 /nfs/dbraw/zinc/73/07/87/554730787.db2.gz VQCVVRGBPAZDBC-UHFFFAOYSA-N -1 1 489.597 6.123 40 0 JKABMM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c([O-])c1 ZINC000008833325 554730820 /nfs/dbraw/zinc/73/08/20/554730820.db2.gz BBPZIKRSIROOQP-UHFFFAOYSA-N -1 1 483.549 5.797 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)cc3[O-])nc2c1 ZINC000008833346 554730832 /nfs/dbraw/zinc/73/08/32/554730832.db2.gz HUYNOGWERGUBLA-UHFFFAOYSA-N -1 1 486.380 6.196 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Br)cc4)cc3[O-])oc2c1 ZINC000008833317 554730855 /nfs/dbraw/zinc/73/08/55/554730855.db2.gz XEZAPGFBTWWEMP-UHFFFAOYSA-N -1 1 482.359 5.398 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)cc3[O-])nc2c1 ZINC000008835142 554733558 /nfs/dbraw/zinc/73/35/58/554733558.db2.gz VBEGWCSVFREOTR-UHFFFAOYSA-N -1 1 489.597 5.924 40 0 JKABMM CCN1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C[C@H](C)CC5)c3cccc(c23)C1=O ZINC000008870437 554765443 /nfs/dbraw/zinc/76/54/43/554765443.db2.gz RLYDBWSRTSSGQY-OAHLLOKOSA-N -1 1 460.555 5.492 40 0 JKABMM CCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)cc21 ZINC000008871875 554767828 /nfs/dbraw/zinc/76/78/28/554767828.db2.gz XBHRAMCGJBTQAN-UHFFFAOYSA-N -1 1 492.553 5.242 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915517 554809376 /nfs/dbraw/zinc/80/93/76/554809376.db2.gz YRCMRBVJGRBASF-DJPFJPOOSA-N -1 1 499.272 5.357 40 0 JKABMM CCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc21 ZINC000008974105 554845454 /nfs/dbraw/zinc/84/54/54/554845454.db2.gz BJRGLRMBMPSTEV-UHFFFAOYSA-N -1 1 485.989 6.696 40 0 JKABMM COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2[O-])c(F)c1F ZINC000009142438 554935904 /nfs/dbraw/zinc/93/59/04/554935904.db2.gz NBCNOYDBKGYMQB-UHFFFAOYSA-N -1 1 464.868 5.035 40 0 JKABMM O=C1N[C@@H](c2cccc(Oc3ccccc3)c2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000009637502 555345331 /nfs/dbraw/zinc/34/53/31/555345331.db2.gz RHFMOOIGEUEFAI-JTAQYXEDSA-N -1 1 490.865 5.236 40 0 JKABMM O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000009694964 555424855 /nfs/dbraw/zinc/42/48/55/555424855.db2.gz FNXLQTMHVWWNFX-UHFFFAOYSA-N -1 1 487.002 5.236 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Br)c(Cl)c2)cc1 ZINC000019932917 555550325 /nfs/dbraw/zinc/55/03/25/555550325.db2.gz DDANJRRYFVQANA-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM Cc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000013649288 555553550 /nfs/dbraw/zinc/55/35/50/555553550.db2.gz FFWOGGDTGNZBOO-UHFFFAOYSA-N -1 1 450.604 5.084 40 0 JKABMM CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000013669651 555559563 /nfs/dbraw/zinc/55/95/63/555559563.db2.gz PEXQFFZCIKYJQV-UHFFFAOYSA-N -1 1 480.630 5.174 40 0 JKABMM Cc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1 ZINC000013670951 555562062 /nfs/dbraw/zinc/56/20/62/555562062.db2.gz LJKUOYOZRHOKHI-UHFFFAOYSA-N -1 1 450.604 5.084 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000013672768 555564304 /nfs/dbraw/zinc/56/43/04/555564304.db2.gz KIRRXIYVXXARKK-NRFANRHFSA-N -1 1 478.658 6.201 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1Cl ZINC000013673710 555565108 /nfs/dbraw/zinc/56/51/08/555565108.db2.gz MONJBZQZRSPCAF-UHFFFAOYSA-N -1 1 454.400 6.095 40 0 JKABMM CCn1c2ccccc2c2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)c(C)c3)ccc21 ZINC000013679757 555571587 /nfs/dbraw/zinc/57/15/87/555571587.db2.gz VXJUEPAATNLBGU-UHFFFAOYSA-N -1 1 497.620 6.484 40 0 JKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C ZINC000013680678 555573208 /nfs/dbraw/zinc/57/32/08/555573208.db2.gz TXAMZMJYJHHXNL-UHFFFAOYSA-N -1 1 496.938 5.958 40 0 JKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3[O-])nc2c1 ZINC000010003616 555590958 /nfs/dbraw/zinc/59/09/58/555590958.db2.gz FMLZODCWTOXFQH-UHFFFAOYSA-N -1 1 475.526 5.179 40 0 JKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1OC ZINC000010039298 555604752 /nfs/dbraw/zinc/60/47/52/555604752.db2.gz DUNQIPCRXXGXDK-AWNIVKPZSA-N -1 1 486.977 5.118 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)c(Cl)c2)cc1 ZINC000020035159 555609424 /nfs/dbraw/zinc/60/94/24/555609424.db2.gz WLZCMQOSEXKNFB-UHFFFAOYSA-N -1 1 491.012 5.969 40 0 JKABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020035868 555610297 /nfs/dbraw/zinc/61/02/97/555610297.db2.gz FKAFEIKVATVIKY-QGZVFWFLSA-N -1 1 472.994 5.339 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc2)cc1 ZINC000020037242 555611593 /nfs/dbraw/zinc/61/15/93/555611593.db2.gz PNJCZHAVMUWRTM-MHZLTWQESA-N -1 1 470.594 5.624 40 0 JKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020039478 555612702 /nfs/dbraw/zinc/61/27/02/555612702.db2.gz IMJJJSLEMJZBOB-DEOSSOPVSA-N -1 1 487.021 5.862 40 0 JKABMM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020040782 555613701 /nfs/dbraw/zinc/61/37/01/555613701.db2.gz ONBALTIFUKQEQV-UHFFFAOYSA-N -1 1 498.523 5.517 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000020042219 555614405 /nfs/dbraw/zinc/61/44/05/555614405.db2.gz NICRNLLSOIUFMJ-LJQANCHMSA-N -1 1 452.576 5.325 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(Br)c3)c2)cc1 ZINC000020042667 555614794 /nfs/dbraw/zinc/61/47/94/555614794.db2.gz YBSVSIDETPBYKS-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2C)c1 ZINC000020045327 555616207 /nfs/dbraw/zinc/61/62/07/555616207.db2.gz TYDMMEQYCKIAKJ-UHFFFAOYSA-N -1 1 466.603 5.130 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(Cl)c1 ZINC000020047648 555617845 /nfs/dbraw/zinc/61/78/45/555617845.db2.gz DVYINDQSCRTXSH-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020048021 555617920 /nfs/dbraw/zinc/61/79/20/555617920.db2.gz ABWJTHMVUJJRHD-XMMPIXPASA-N -1 1 487.021 5.862 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c1C ZINC000020048029 555618231 /nfs/dbraw/zinc/61/82/31/555618231.db2.gz RYCBBWVRIYLFIL-SFHVURJKSA-N -1 1 472.994 5.472 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1C ZINC000010111991 555623863 /nfs/dbraw/zinc/62/38/63/555623863.db2.gz ASRNWZPZMLOONP-FQEVSTJZSA-N -1 1 464.631 5.893 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2Cl)cc1 ZINC000020061193 555624018 /nfs/dbraw/zinc/62/40/18/555624018.db2.gz IYRYGVUVIJDSOY-UHFFFAOYSA-N -1 1 495.453 5.975 40 0 JKABMM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020061210 555624073 /nfs/dbraw/zinc/62/40/73/555624073.db2.gz BBTNBTNCQALFQJ-KRWDZBQOSA-N -1 1 497.041 6.413 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)cc1 ZINC000010111993 555624182 /nfs/dbraw/zinc/62/41/82/555624182.db2.gz FRUHLZCAQBJKKU-FQEVSTJZSA-N -1 1 464.631 5.893 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1C ZINC000010111992 555624194 /nfs/dbraw/zinc/62/41/94/555624194.db2.gz ASRNWZPZMLOONP-HXUWFJFHSA-N -1 1 464.631 5.893 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3F)ccc2C)cc1C ZINC000010112058 555624266 /nfs/dbraw/zinc/62/42/66/555624266.db2.gz QQLMJDCDQGJGTP-UHFFFAOYSA-N -1 1 486.634 5.215 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c(C)c1 ZINC000010112016 555624307 /nfs/dbraw/zinc/62/43/07/555624307.db2.gz DOOHZSCYCGLHEK-OAQYLSRUSA-N -1 1 478.658 6.201 40 0 JKABMM Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000020061282 555624551 /nfs/dbraw/zinc/62/45/51/555624551.db2.gz JJKKZNZGQCWCBR-UHFFFAOYSA-N -1 1 494.560 5.687 40 0 JKABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1 ZINC000010112324 555625345 /nfs/dbraw/zinc/62/53/45/555625345.db2.gz PPDXBNRLWUSTGL-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1OCC ZINC000010112638 555626002 /nfs/dbraw/zinc/62/60/02/555626002.db2.gz UPYPICGDXIGBJK-LJQANCHMSA-N -1 1 482.602 5.084 40 0 JKABMM O=S(=O)(Cc1c(F)cccc1Cl)[N-]c1ccccc1SCc1ccc(Cl)cc1 ZINC000010112691 555626051 /nfs/dbraw/zinc/62/60/51/555626051.db2.gz RGTFGSDJQTZSJO-UHFFFAOYSA-N -1 1 456.391 6.367 40 0 JKABMM CCc1cc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)oc2c(Br)c1 ZINC000010119781 555631240 /nfs/dbraw/zinc/63/12/40/555631240.db2.gz LZGAONUUTYTXBZ-UHFFFAOYSA-N -1 1 457.349 5.621 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)c2C)cc1 ZINC000020105657 555639272 /nfs/dbraw/zinc/63/92/72/555639272.db2.gz LUAHDDARYYYPCE-MUUNZHRXSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)c2C)cc1 ZINC000020105655 555639380 /nfs/dbraw/zinc/63/93/80/555639380.db2.gz LUAHDDARYYYPCE-NDEPHWFRSA-N -1 1 484.621 5.932 40 0 JKABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1Cl ZINC000020106515 555640225 /nfs/dbraw/zinc/64/02/25/555640225.db2.gz PLXHUWCJIUEHEE-UHFFFAOYSA-N -1 1 465.358 5.364 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c2ccccc2)cc1 ZINC000020110238 555646163 /nfs/dbraw/zinc/64/61/63/555646163.db2.gz WEVHHUACELKNOJ-SANMLTNESA-N -1 1 456.567 5.315 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c2ccccc2)cc1 ZINC000020110592 555646964 /nfs/dbraw/zinc/64/69/64/555646964.db2.gz MJUCNSQTPJZPJR-HHHXNRCGSA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 ZINC000020110985 555647426 /nfs/dbraw/zinc/64/74/26/555647426.db2.gz ORVVAODSQNTBMP-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)Cc3ccc(Cl)cc3)c2)cc1 ZINC000020112685 555650312 /nfs/dbraw/zinc/65/03/12/555650312.db2.gz QLULAMWZYUWOSW-UHFFFAOYSA-N -1 1 463.386 5.375 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccccc3Cl)c2)cc1 ZINC000010314272 555679643 /nfs/dbraw/zinc/67/96/43/555679643.db2.gz HNMQEUYTFASENH-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1 ZINC000010314587 555680518 /nfs/dbraw/zinc/68/05/18/555680518.db2.gz DSYQGTIDTBOKDP-UHFFFAOYSA-N -1 1 482.911 6.029 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3Br)c2C)cc1 ZINC000010314720 555680585 /nfs/dbraw/zinc/68/05/85/555680585.db2.gz DJDISFKQGRMLJJ-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3Br)ccc2C)cc1 ZINC000010314868 555680882 /nfs/dbraw/zinc/68/08/82/555680882.db2.gz IEOXPUKECNGHCO-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM COc1cc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c(OC)cc1Cl ZINC000010315081 555681600 /nfs/dbraw/zinc/68/16/00/555681600.db2.gz SMZREXBHDQLYSZ-UHFFFAOYSA-N -1 1 474.966 5.027 40 0 JKABMM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000010315093 555681712 /nfs/dbraw/zinc/68/17/12/555681712.db2.gz PMQMFDHQENMRBU-UHFFFAOYSA-N -1 1 487.419 5.384 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)cc1 ZINC000010315171 555681921 /nfs/dbraw/zinc/68/19/21/555681921.db2.gz NLJXPUCQEWNLAQ-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Br)c(Cl)c3)ccc2C)cc1 ZINC000010315324 555682326 /nfs/dbraw/zinc/68/23/26/555682326.db2.gz XXGSMTKKKLOWJC-UHFFFAOYSA-N -1 1 493.810 5.772 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSCc3ccccc3C)ccc2C)cc1 ZINC000010328219 555686546 /nfs/dbraw/zinc/68/65/46/555686546.db2.gz YUQDVWWYTXOKQE-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSCc1c(F)cccc1Cl ZINC000010329922 555687063 /nfs/dbraw/zinc/68/70/63/555687063.db2.gz APKRAZDPNBCZBD-UHFFFAOYSA-N -1 1 493.025 5.252 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 ZINC000010331637 555688083 /nfs/dbraw/zinc/68/80/83/555688083.db2.gz KIJGLSIFONJESH-UHFFFAOYSA-N -1 1 485.049 6.318 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2C)cc1 ZINC000010332113 555688303 /nfs/dbraw/zinc/68/83/03/555688303.db2.gz FXJYJFGWLLYRKH-UHFFFAOYSA-N -1 1 475.035 5.280 40 0 JKABMM Cc1cc(C(=O)NCCSCc2c(F)cccc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010332346 555688342 /nfs/dbraw/zinc/68/83/42/555688342.db2.gz PKNGOVRWGOUWJP-UHFFFAOYSA-N -1 1 493.025 5.252 40 0 JKABMM Cc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010335471 555690428 /nfs/dbraw/zinc/69/04/28/555690428.db2.gz UXJIVKUCPNZNGD-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)cc1Cl ZINC000010336318 555691275 /nfs/dbraw/zinc/69/12/75/555691275.db2.gz UPPDLZMHTAOPHU-UHFFFAOYSA-N -1 1 471.022 6.144 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Br)cc3F)ccc2C)cc1 ZINC000010336491 555691503 /nfs/dbraw/zinc/69/15/03/555691503.db2.gz GNUKQDKLJKYSCN-UHFFFAOYSA-N -1 1 477.355 5.258 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1 ZINC000010336869 555691519 /nfs/dbraw/zinc/69/15/19/555691519.db2.gz RSURETKRCXZNCO-UHFFFAOYSA-N -1 1 471.022 6.144 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000010360388 555696821 /nfs/dbraw/zinc/69/68/21/555696821.db2.gz QJVQAXHDQOXJNN-UHFFFAOYSA-N -1 1 458.539 5.840 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000010363729 555697304 /nfs/dbraw/zinc/69/73/04/555697304.db2.gz YUMWLWBOZWMVNG-UHFFFAOYSA-N -1 1 488.634 6.340 40 0 JKABMM Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010363134 555697313 /nfs/dbraw/zinc/69/73/13/555697313.db2.gz HSZXIUXCQAJBBS-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2C)cc1 ZINC000010368521 555698722 /nfs/dbraw/zinc/69/87/22/555698722.db2.gz IUXJABSXJJPYGY-UHFFFAOYSA-N -1 1 483.804 6.317 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1 ZINC000010370785 555699676 /nfs/dbraw/zinc/69/96/76/555699676.db2.gz LETMABVBUNBSDB-UHFFFAOYSA-N -1 1 486.593 5.936 40 0 JKABMM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010371529 555700015 /nfs/dbraw/zinc/70/00/15/555700015.db2.gz YGXDWONFZWAHHB-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000014153273 555709047 /nfs/dbraw/zinc/70/90/47/555709047.db2.gz KAEFEFDWFNXBMA-UHFFFAOYSA-N -1 1 482.671 5.384 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2C)cc1 ZINC000014153245 555709119 /nfs/dbraw/zinc/70/91/19/555709119.db2.gz VVGVIRAJPHLXAS-UHFFFAOYSA-N -1 1 475.035 5.280 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2C)c1 ZINC000014153506 555709730 /nfs/dbraw/zinc/70/97/30/555709730.db2.gz DWNSBOOGYAJOIY-UHFFFAOYSA-N -1 1 460.665 5.208 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)cc1C ZINC000014155135 555713145 /nfs/dbraw/zinc/71/31/45/555713145.db2.gz QKWDUUHDGGXBFZ-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSCc2cccc(Cl)c2)ccc1C ZINC000014155460 555713655 /nfs/dbraw/zinc/71/36/55/555713655.db2.gz BJMJCFXKVDHOEC-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2C)c(C)c1 ZINC000014155608 555714088 /nfs/dbraw/zinc/71/40/88/555714088.db2.gz KSHMCZHWBOVSEZ-UHFFFAOYSA-N -1 1 476.642 5.508 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4Cl)cc3[O-])nc2c1 ZINC000014270194 555761446 /nfs/dbraw/zinc/76/14/46/555761446.db2.gz IAPZGLFBJGGCKE-UHFFFAOYSA-N -1 1 465.962 5.851 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)cc3[O-])oc2c1 ZINC000014270152 555761530 /nfs/dbraw/zinc/76/15/30/555761530.db2.gz PHXLLAHSZLYLEL-UHFFFAOYSA-N -1 1 461.543 5.423 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)cc3[O-])nc2c1 ZINC000014270208 555761575 /nfs/dbraw/zinc/76/15/75/555761575.db2.gz NLMYKJADQOZWOM-UHFFFAOYSA-N -1 1 473.598 6.187 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Br)cc4)cc3[O-])oc2c(C)c1 ZINC000014275043 555779005 /nfs/dbraw/zinc/77/90/05/555779005.db2.gz IYWIFMYJMCTPGA-UHFFFAOYSA-N -1 1 496.386 5.707 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)cc3[O-])oc2c(C)c1 ZINC000014275064 555779386 /nfs/dbraw/zinc/77/93/86/555779386.db2.gz HGLOBVXOFKECEG-BJMVGYQFSA-N -1 1 477.973 5.997 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000014396646 555802585 /nfs/dbraw/zinc/80/25/85/555802585.db2.gz XDYYSLLDWIRBML-UHFFFAOYSA-N -1 1 469.994 5.383 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000014396833 555802648 /nfs/dbraw/zinc/80/26/48/555802648.db2.gz KKPLIEMHIVJIRH-OAHLLOKOSA-N -1 1 479.385 5.509 40 0 JKABMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc(C)c1Cl ZINC000014396969 555802879 /nfs/dbraw/zinc/80/28/79/555802879.db2.gz VSFNFGWIRKKTCG-MRXNPFEDSA-N -1 1 493.412 5.817 40 0 JKABMM C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000014397642 555803290 /nfs/dbraw/zinc/80/32/90/555803290.db2.gz FREXJLSOFCFGHV-CQSZACIVSA-N -1 1 498.910 5.566 40 0 JKABMM C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000014398067 555803944 /nfs/dbraw/zinc/80/39/44/555803944.db2.gz PEMPOIPWUDGQFW-CYBMUJFWSA-N -1 1 499.803 5.854 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)cc1Cl ZINC000014398301 555804300 /nfs/dbraw/zinc/80/43/00/555804300.db2.gz GLPPGBYMGWGDDD-UHFFFAOYSA-N -1 1 484.021 5.692 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000014398979 555804445 /nfs/dbraw/zinc/80/44/45/555804445.db2.gz ZIDHQFVKTIEZKW-LJQANCHMSA-N -1 1 466.603 5.499 40 0 JKABMM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000014399082 555804621 /nfs/dbraw/zinc/80/46/21/555804621.db2.gz YEQWMFDXYVVYMD-QGZVFWFLSA-N -1 1 464.518 5.186 40 0 JKABMM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000014401932 555807062 /nfs/dbraw/zinc/80/70/62/555807062.db2.gz MNBNBMDBTALDMK-UHFFFAOYSA-N -1 1 472.994 5.555 40 0 JKABMM [O-]c1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)c1Cl ZINC000015015747 555856189 /nfs/dbraw/zinc/85/61/89/555856189.db2.gz SAOMKGMGZJLNKX-NRFANRHFSA-N -1 1 466.925 5.832 40 0 JKABMM [O-]c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1Cl ZINC000015016013 555856828 /nfs/dbraw/zinc/85/68/28/555856828.db2.gz KAPYHPIPKPGEHX-OAQYLSRUSA-N -1 1 483.380 6.346 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccccc1F ZINC000022109830 555876499 /nfs/dbraw/zinc/87/64/99/555876499.db2.gz LLBAXNUAAHXYAX-UHFFFAOYSA-N -1 1 451.365 5.117 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000022109800 555876566 /nfs/dbraw/zinc/87/65/66/555876566.db2.gz XZBBLNAXAJFHQE-UHFFFAOYSA-N -1 1 467.820 5.632 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000022109951 555876863 /nfs/dbraw/zinc/87/68/63/555876863.db2.gz ZKIHDZQRSFLILX-UHFFFAOYSA-N -1 1 453.395 5.531 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000022110075 555876934 /nfs/dbraw/zinc/87/69/34/555876934.db2.gz AJFBOQBTVDMXRM-UHFFFAOYSA-N -1 1 466.994 5.982 40 0 JKABMM COc1cccc(CNn2c(=S)[n-]nc2-c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000022110016 555876944 /nfs/dbraw/zinc/87/69/44/555876944.db2.gz GIBHEGXBUQHNBA-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000022110322 555877205 /nfs/dbraw/zinc/87/72/05/555877205.db2.gz UIDPIZQEOXUNLQ-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022110192 555877249 /nfs/dbraw/zinc/87/72/49/555877249.db2.gz UAPCZDFAGVFMHA-UHFFFAOYSA-N -1 1 487.412 6.246 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000022110305 555877281 /nfs/dbraw/zinc/87/72/81/555877281.db2.gz CGQVYEZXFVNOAL-UHFFFAOYSA-N -1 1 470.957 5.731 40 0 JKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022110228 555877288 /nfs/dbraw/zinc/87/72/88/555877288.db2.gz WRFJIJLVBJEKPK-UHFFFAOYSA-N -1 1 457.386 6.237 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022111028 555878250 /nfs/dbraw/zinc/87/82/50/555878250.db2.gz BUGHOZLUPFUKJG-UHFFFAOYSA-N -1 1 471.945 5.126 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCc1ccccc1F ZINC000022110983 555878259 /nfs/dbraw/zinc/87/82/59/555878259.db2.gz DJNGRTYWOUGBCK-UHFFFAOYSA-N -1 1 485.972 5.517 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)ccc1OCc1cccs1 ZINC000022111322 555878620 /nfs/dbraw/zinc/87/86/20/555878620.db2.gz NWNOHIVXOAZWMZ-UHFFFAOYSA-N -1 1 468.604 5.399 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000022111491 555878675 /nfs/dbraw/zinc/87/86/75/555878675.db2.gz SWPHGIAHAAMWFO-UHFFFAOYSA-N -1 1 498.406 5.096 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000022111232 555878701 /nfs/dbraw/zinc/87/87/01/555878701.db2.gz MGCYQPNQOCPMTP-UHFFFAOYSA-N -1 1 488.400 5.641 40 0 JKABMM CCOc1cc(CNn2cn[n-]c2=S)cc(Br)c1OCc1ccccc1Cl ZINC000022111793 555878861 /nfs/dbraw/zinc/87/88/61/555878861.db2.gz VGCJHEFGIAETKN-UHFFFAOYSA-N -1 1 469.792 5.078 40 0 JKABMM CCOc1cc(CNn2c(C)n[n-]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022112395 555879201 /nfs/dbraw/zinc/87/92/01/555879201.db2.gz DUQGARAEAIBTBD-UHFFFAOYSA-N -1 1 473.813 5.931 40 0 JKABMM COc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(OC)cc1Cl ZINC000015475068 555910464 /nfs/dbraw/zinc/91/04/64/555910464.db2.gz WJSWHWCPEJKBBL-UHFFFAOYSA-N -1 1 474.966 5.027 40 0 JKABMM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000022532730 555932374 /nfs/dbraw/zinc/93/23/74/555932374.db2.gz ZCJVRDGXBHJTDL-UHFFFAOYSA-N -1 1 493.368 5.142 40 0 JKABMM [O-]c1cc2c(cc1Cl)[C@H](c1ccccc1)[C@H]1CCC[C@@H]3[C@H](c4ccccc4)NC(=S)N[C@]31O2 ZINC000012376199 555963407 /nfs/dbraw/zinc/96/34/07/555963407.db2.gz OJVFCCKMQFSLLN-UKZSDDMASA-N -1 1 477.029 5.902 40 0 JKABMM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000016779584 556159097 /nfs/dbraw/zinc/15/90/97/556159097.db2.gz XHGHCHRSZQKKOO-UHFFFAOYSA-N -1 1 466.990 6.213 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(C)cc1)cc2Cl ZINC000016779616 556159572 /nfs/dbraw/zinc/15/95/72/556159572.db2.gz TUIMUQPLGGPJOK-UHFFFAOYSA-N -1 1 497.016 6.187 40 0 JKABMM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(C)cc1)c(C)c2C ZINC000016807640 556162390 /nfs/dbraw/zinc/16/23/90/556162390.db2.gz KPUINXCCWDLPHS-UHFFFAOYSA-N -1 1 460.599 6.176 40 0 JKABMM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)c(C)c2C ZINC000016807648 556162422 /nfs/dbraw/zinc/16/24/22/556162422.db2.gz WTVPQQUKKVOTQG-UHFFFAOYSA-N -1 1 464.562 6.007 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1C(=O)N1CCCC1 ZINC000026114873 556245444 /nfs/dbraw/zinc/24/54/44/556245444.db2.gz PKLDGMMBUZBESQ-UHFFFAOYSA-N -1 1 498.695 5.738 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000026115840 556246053 /nfs/dbraw/zinc/24/60/53/556246053.db2.gz REEIMZLZJRVIQB-UHFFFAOYSA-N -1 1 459.420 5.142 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026119093 556248267 /nfs/dbraw/zinc/24/82/67/556248267.db2.gz BFLAKWSNEWVISP-UHFFFAOYSA-N -1 1 472.554 5.100 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)N1CCCCCC1 ZINC000026119737 556248501 /nfs/dbraw/zinc/24/85/01/556248501.db2.gz IRJSMDNNQVTXNJ-UHFFFAOYSA-N -1 1 472.554 5.244 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C(=O)N1CCCCCC1 ZINC000026120015 556248857 /nfs/dbraw/zinc/24/88/57/556248857.db2.gz CLLVDJGGDSPYIT-UHFFFAOYSA-N -1 1 453.029 5.187 40 0 JKABMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1ccccc1 ZINC000017823232 556267292 /nfs/dbraw/zinc/26/72/92/556267292.db2.gz WIGPEUXUNPHFLE-CLJLJLNGSA-N -1 1 464.569 5.465 40 0 JKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018206434 556310164 /nfs/dbraw/zinc/31/01/64/556310164.db2.gz GXPWKMBLSASAPE-PVHODMMVSA-N -1 1 486.568 5.234 40 0 JKABMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000028066360 556315655 /nfs/dbraw/zinc/31/56/55/556315655.db2.gz VNUOXKWLIPTHOT-RPBOFIJWSA-N -1 1 498.608 5.182 40 0 JKABMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000028066349 556315717 /nfs/dbraw/zinc/31/57/17/556315717.db2.gz VNUOXKWLIPTHOT-JWQCQUIFSA-N -1 1 498.608 5.182 40 0 JKABMM CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000030751724 556371254 /nfs/dbraw/zinc/37/12/54/556371254.db2.gz NVPJWSJLZZLYDT-FQEVSTJZSA-N -1 1 466.603 5.302 40 0 JKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1C ZINC000030754152 556372255 /nfs/dbraw/zinc/37/22/55/556372255.db2.gz OLZIWHUAWSYYTI-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM O=C(Nc1c(Cl)cccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030848220 556376118 /nfs/dbraw/zinc/37/61/18/556376118.db2.gz JSTACEBRALGRAY-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)cc1 ZINC000030848704 556376453 /nfs/dbraw/zinc/37/64/53/556376453.db2.gz VUCZSQPQVGQZFQ-UHFFFAOYSA-N -1 1 458.583 6.190 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Br)c3)c(Cl)c2)cc1 ZINC000030849400 556376747 /nfs/dbraw/zinc/37/67/47/556376747.db2.gz LHSMCKRKWYLYSJ-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000030849563 556376831 /nfs/dbraw/zinc/37/68/31/556376831.db2.gz BBNIBRFNMHGABO-UHFFFAOYSA-N -1 1 496.938 5.958 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2C)c(C)c1 ZINC000030852723 556378205 /nfs/dbraw/zinc/37/82/05/556378205.db2.gz UFUCCAMAVYMXEE-NRFANRHFSA-N -1 1 450.604 5.521 40 0 JKABMM CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000030853678 556378989 /nfs/dbraw/zinc/37/89/89/556378989.db2.gz YUUIIAMTCGUZKF-UHFFFAOYSA-N -1 1 454.617 5.777 40 0 JKABMM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000030856419 556380112 /nfs/dbraw/zinc/38/01/12/556380112.db2.gz WPQUQTSFJNMSOQ-UHFFFAOYSA-N -1 1 499.416 5.805 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1)c1ccc(OC)cc1 ZINC000030863025 556382415 /nfs/dbraw/zinc/38/24/15/556382415.db2.gz ZLAUUCARMLUKHI-XMMPIXPASA-N -1 1 466.603 5.302 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSCc3ccccc3C)c2)cc1 ZINC000030862746 556382535 /nfs/dbraw/zinc/38/25/35/556382535.db2.gz SPFILLXTRWYOTN-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2C)cc1 ZINC000030864240 556382765 /nfs/dbraw/zinc/38/27/65/556382765.db2.gz BRMSZMKQYCRJEB-RUZDIDTESA-N -1 1 450.604 5.621 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)cc1 ZINC000030864246 556382941 /nfs/dbraw/zinc/38/29/41/556382941.db2.gz BRMSZMKQYCRJEB-VWLOTQADSA-N -1 1 450.604 5.621 40 0 JKABMM CCOc1cccc2c(C)nc(Nc3nc(CSc4nc5ccccc5s4)cc(=O)[n-]3)nc12 ZINC000019817385 556383390 /nfs/dbraw/zinc/38/33/90/556383390.db2.gz VCWIDESRHVSGCF-UHFFFAOYSA-N -1 1 476.587 5.066 40 0 JKABMM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000030868580 556384120 /nfs/dbraw/zinc/38/41/20/556384120.db2.gz AWECYOJFODBCJT-INIZCTEOSA-N -1 1 458.967 5.109 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1)c1ccc(C)cc1 ZINC000030868882 556384131 /nfs/dbraw/zinc/38/41/31/556384131.db2.gz YMXAPHHJNPDCMM-DEOSSOPVSA-N -1 1 450.604 5.602 40 0 JKABMM COc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1Cl ZINC000030870020 556384733 /nfs/dbraw/zinc/38/47/33/556384733.db2.gz LHGLYHBADKBKKS-UHFFFAOYSA-N -1 1 451.331 5.055 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000030872623 556385733 /nfs/dbraw/zinc/38/57/33/556385733.db2.gz XFNSQTKTORMLMP-XMMPIXPASA-N -1 1 487.021 5.667 40 0 JKABMM COc1cccc(OCCOc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2OC)c1 ZINC000032109549 556419528 /nfs/dbraw/zinc/41/95/28/556419528.db2.gz AJZRQLLRMCOYQC-YVLHZVERSA-N -1 1 496.404 5.253 40 0 JKABMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)c3ccc(F)cc3)s2)cc1 ZINC000032594781 556449375 /nfs/dbraw/zinc/44/93/75/556449375.db2.gz DCLPVNIENUDJJE-ILBGXUMGSA-N -1 1 487.556 5.256 40 0 JKABMM Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])C=C3C)[nH]c21 ZINC000072321021 560077829 /nfs/dbraw/zinc/07/78/29/560077829.db2.gz MRPNKRLPBYQGHR-ACRUOGEOSA-N -1 1 453.627 5.276 40 0 biogenic,in-vitro JKABMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000033779736 569634488 /nfs/dbraw/zinc/63/44/88/569634488.db2.gz IOGNEOLWQVKWNC-UHFFFAOYSA-N -1 1 487.861 6.991 40 0 JKABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000035253734 569678864 /nfs/dbraw/zinc/67/88/64/569678864.db2.gz OURGWHCEKUDMQC-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(/C=C/c1ccccc1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100150496 569754156 /nfs/dbraw/zinc/75/41/56/569754156.db2.gz QHGHLNRLBPSZIL-VHEBQXMUSA-N -1 1 462.553 5.931 40 0 JKABMM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1 ZINC000100936180 569776532 /nfs/dbraw/zinc/77/65/32/569776532.db2.gz ROOIBETVYZGEJE-PFBJBMPXSA-N -1 1 464.521 5.290 40 0 JKABMM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000100936170 569776601 /nfs/dbraw/zinc/77/66/01/569776601.db2.gz ROOIBETVYZGEJE-PVHODMMVSA-N -1 1 464.521 5.290 40 0 JKABMM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1Cl ZINC000100935328 569776604 /nfs/dbraw/zinc/77/66/04/569776604.db2.gz KGDAWQUMZNCGLS-GSDHBNRESA-N -1 1 468.940 5.853 40 0 JKABMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])c1ccccc1 ZINC000036633819 569779498 /nfs/dbraw/zinc/77/94/98/569779498.db2.gz MTSRLLGLSWCDRC-LADGPHEKSA-N -1 1 473.985 5.762 40 0 JKABMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc3ccccc3nc2Cl)cc1 ZINC000101031094 569780177 /nfs/dbraw/zinc/78/01/77/569780177.db2.gz ZQMYTSYIOLXNNG-SMIHKQSGSA-N -1 1 469.928 5.248 40 0 JKABMM O=C1[N-]C(=S)SC1=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000038198354 569800580 /nfs/dbraw/zinc/80/05/80/569800580.db2.gz IYWUOKQIOGDSPT-NVNXTCNLSA-N -1 1 485.222 6.120 40 0 JKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000038203948 569800951 /nfs/dbraw/zinc/80/09/51/569800951.db2.gz IQCLVWPHCFAJCZ-SXGWCWSVSA-N -1 1 484.824 6.409 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2C)cc1 ZINC000038755316 569806958 /nfs/dbraw/zinc/80/69/58/569806958.db2.gz AJOBJCQBAMWNPD-NDEPHWFRSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000038755634 569807180 /nfs/dbraw/zinc/80/71/80/569807180.db2.gz MWUBBMVHQMOVEE-IBGZPJMESA-N -1 1 487.021 5.780 40 0 JKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000038757102 569807392 /nfs/dbraw/zinc/80/73/92/569807392.db2.gz HFCGOMXNKBESSA-NRFANRHFSA-N -1 1 495.453 6.304 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000038771261 569807510 /nfs/dbraw/zinc/80/75/10/569807510.db2.gz PCMPMMQFCIDROL-SANMLTNESA-N -1 1 494.657 5.938 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)c1 ZINC000038771285 569807521 /nfs/dbraw/zinc/80/75/21/569807521.db2.gz ZANUVBHEDWLIIJ-VWLOTQADSA-N -1 1 464.631 5.930 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000038771263 569807552 /nfs/dbraw/zinc/80/75/52/569807552.db2.gz PCMPMMQFCIDROL-AREMUKBSSA-N -1 1 494.657 5.938 40 0 JKABMM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707287 569816500 /nfs/dbraw/zinc/81/65/00/569816500.db2.gz MJOIKRDLSPNTGC-SDHOMARFSA-N -1 1 454.913 5.544 40 0 JKABMM O=c1[n-]c(N2CCc3ccccc3C2)nc2ncn(-c3ccc(Cl)c(Cl)c3)c(=S)c12 ZINC000040385753 569824370 /nfs/dbraw/zinc/82/43/70/569824370.db2.gz XRGYVAWXMQUUQL-UHFFFAOYSA-N -1 1 456.358 5.120 40 0 JKABMM O=c1[n-]c(N2CCc3ccccc3C2)nc2ncn(-c3cc(Cl)cc(Cl)c3)c(=S)c12 ZINC000040385754 569824373 /nfs/dbraw/zinc/82/43/73/569824373.db2.gz XNIKVRBSUGGSIA-UHFFFAOYSA-N -1 1 456.358 5.120 40 0 JKABMM Cc1nc2nc(N3c4ccccc4C[C@@H]3C)[n-]c(=O)c2c(=S)n1-c1cc(Cl)cc(Cl)c1 ZINC000040386939 569824388 /nfs/dbraw/zinc/82/43/88/569824388.db2.gz VOBKAEWILCKJBQ-NSHDSACASA-N -1 1 470.385 5.536 40 0 JKABMM Cc1nc(Nc2ccccc2Cl)sc1C(=O)C=C([O-])C(=O)Nc1c(C)cccc1C(C)C ZINC000102935071 569829178 /nfs/dbraw/zinc/82/91/78/569829178.db2.gz VWWYBFRPJMFIGY-UHFFFAOYSA-N -1 1 469.994 6.061 40 0 JKABMM COc1ccc(C(=O)C(=C([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc2)cc1 ZINC000102946446 569829744 /nfs/dbraw/zinc/82/97/44/569829744.db2.gz OAKAJDHFFQYYKP-OAQYLSRUSA-N -1 1 472.324 5.185 40 0 JKABMM O=C1S/C(=C\c2ccc([O-])c(Br)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106725102 569855155 /nfs/dbraw/zinc/85/51/55/569855155.db2.gz RVVMTPQQKNMYEH-NVNXTCNLSA-N -1 1 469.154 5.154 40 0 JKABMM Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(-c4nc5ccccc5o4)c([O-])c3)o2)cc1C ZINC000107561159 569856547 /nfs/dbraw/zinc/85/65/47/569856547.db2.gz ZNYXJZVUJBVSHR-UHFFFAOYSA-N -1 1 483.549 6.204 40 0 JKABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000108242936 569859212 /nfs/dbraw/zinc/85/92/12/569859212.db2.gz GDVMDFJKVRGIPA-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 ZINC000139268718 569867342 /nfs/dbraw/zinc/86/73/42/569867342.db2.gz HKSLCRUNXUFSBQ-UHFFFAOYSA-N -1 1 456.567 6.024 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccc(C)cc1 ZINC000216236376 569877922 /nfs/dbraw/zinc/87/79/22/569877922.db2.gz UJHGPEHGOJWZLP-XMMPIXPASA-N -1 1 450.604 5.602 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000216292866 569878224 /nfs/dbraw/zinc/87/82/24/569878224.db2.gz CIMODMMLOVWVLS-AREMUKBSSA-N -1 1 480.630 5.630 40 0 JKABMM CCCCc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000216359043 569878486 /nfs/dbraw/zinc/87/84/86/569878486.db2.gz JMVIVLLBWNIVBP-UHFFFAOYSA-N -1 1 456.995 6.044 40 0 JKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000216400998 569878677 /nfs/dbraw/zinc/87/86/77/569878677.db2.gz HAKPVELHVKKFMR-UHFFFAOYSA-N -1 1 480.973 5.863 40 0 JKABMM Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c(C)c1 ZINC000216411466 569878752 /nfs/dbraw/zinc/87/87/52/569878752.db2.gz XLSSHOMMJFNRPO-NRFANRHFSA-N -1 1 450.604 5.521 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000216426722 569878754 /nfs/dbraw/zinc/87/87/54/569878754.db2.gz ZETLIBAQZFGUPT-RUZDIDTESA-N -1 1 466.603 5.322 40 0 JKABMM Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c(C)c1 ZINC000216429272 569878816 /nfs/dbraw/zinc/87/88/16/569878816.db2.gz YVSYSUPDTKITGE-NRFANRHFSA-N -1 1 450.604 5.521 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2C)c1 ZINC000222582117 569886294 /nfs/dbraw/zinc/88/62/94/569886294.db2.gz NYRDJUXUYCYYTJ-UHFFFAOYSA-N -1 1 476.649 5.017 40 0 JKABMM CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c(Br)c(Cl)c1[O-] ZINC000222687648 569888564 /nfs/dbraw/zinc/88/85/64/569888564.db2.gz PVQWDRHQUVOMGA-CNOZUTPLSA-N -1 1 482.831 5.581 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)c1 ZINC000222771147 569890664 /nfs/dbraw/zinc/89/06/64/569890664.db2.gz CFIRTRPHPXPZJO-UHFFFAOYSA-N -1 1 458.583 5.496 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2C)c(C)c1 ZINC000222850586 569892697 /nfs/dbraw/zinc/89/26/97/569892697.db2.gz UUFMQJVTJAOSFL-UHFFFAOYSA-N -1 1 458.583 5.496 40 0 JKABMM O=C(NCc1cccc2ccccc21)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000222870783 569893171 /nfs/dbraw/zinc/89/31/71/569893171.db2.gz BJHOSEXGWOOOEL-UHFFFAOYSA-N -1 1 450.947 5.224 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)c2)cc1 ZINC000222966908 569895651 /nfs/dbraw/zinc/89/56/51/569895651.db2.gz VIXVCGMCZCMSRC-GOSISDBHSA-N -1 1 483.033 5.819 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc2c(c1)CCCC2 ZINC000223055429 569897896 /nfs/dbraw/zinc/89/78/96/569897896.db2.gz DYIFJQPLEAQYTL-SANMLTNESA-N -1 1 476.642 5.864 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc2c(c1)CCCC2 ZINC000223055367 569897916 /nfs/dbraw/zinc/89/79/16/569897916.db2.gz DYIFJQPLEAQYTL-AREMUKBSSA-N -1 1 476.642 5.864 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc2c(c1)CCCC2 ZINC000223055641 569897974 /nfs/dbraw/zinc/89/79/74/569897974.db2.gz BTSQPFLMXKYEJA-AREMUKBSSA-N -1 1 490.669 6.173 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1)c1ccc2c(c1)CCCC2 ZINC000223056372 569897990 /nfs/dbraw/zinc/89/79/90/569897990.db2.gz JAKINAMFDANGDD-HHHXNRCGSA-N -1 1 490.669 6.173 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccc2c(c1)CCCC2 ZINC000223057820 569898074 /nfs/dbraw/zinc/89/80/74/569898074.db2.gz IHLWBCRHWHBYGP-AREMUKBSSA-N -1 1 490.669 6.173 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)c1ccc2c(c1)CCCC2 ZINC000223067950 569898350 /nfs/dbraw/zinc/89/83/50/569898350.db2.gz RGUBJXBHOBCNTQ-VWLOTQADSA-N -1 1 462.615 5.556 40 0 JKABMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1)c1ccc2c(c1)CCCC2 ZINC000223067198 569898356 /nfs/dbraw/zinc/89/83/56/569898356.db2.gz AZHHDPCICSJDRC-AREMUKBSSA-N -1 1 462.615 5.556 40 0 JKABMM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2c1 ZINC000223156386 569901337 /nfs/dbraw/zinc/90/13/37/569901337.db2.gz FTJAESPUGVLGMY-UHFFFAOYSA-N -1 1 488.609 6.199 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)c1 ZINC000223182551 569902462 /nfs/dbraw/zinc/90/24/62/569902462.db2.gz NHDHESIFBJVOFQ-HXUWFJFHSA-N -1 1 462.615 5.392 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223232980 569904357 /nfs/dbraw/zinc/90/43/57/569904357.db2.gz BOMPZLZVLJXLOG-UHFFFAOYSA-N -1 1 496.639 5.192 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C(C)C ZINC000223300526 569906610 /nfs/dbraw/zinc/90/66/10/569906610.db2.gz YFUUCCPEHXVFKV-LJQANCHMSA-N -1 1 466.603 5.419 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1C(C)C ZINC000223300675 569906627 /nfs/dbraw/zinc/90/66/27/569906627.db2.gz PGLMMAFKSVQMMK-HXUWFJFHSA-N -1 1 480.630 5.727 40 0 JKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C(C)C ZINC000223300585 569906629 /nfs/dbraw/zinc/90/66/29/569906629.db2.gz YFUUCCPEHXVFKV-IBGZPJMESA-N -1 1 466.603 5.419 40 0 JKABMM COc1cc(C)c([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1C(C)C ZINC000223312934 569906975 /nfs/dbraw/zinc/90/69/75/569906975.db2.gz LLCCVIUEXOSKSZ-NRFANRHFSA-N -1 1 494.657 6.036 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1C(C)C ZINC000223313319 569907093 /nfs/dbraw/zinc/90/70/93/569907093.db2.gz WRUBQQSORUFYAW-OAQYLSRUSA-N -1 1 494.657 6.036 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccc(C)cc4)s3)ccc2C)cc1 ZINC000223327425 569907636 /nfs/dbraw/zinc/90/76/36/569907636.db2.gz LVKNOCFHEZYPDL-UHFFFAOYSA-N -1 1 478.599 5.183 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3nnc(SC(C)C)s3)c2)cc1 ZINC000223332728 569907875 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/nfs/dbraw/zinc/91/21/17/569912117.db2.gz TWRQIHXKTVXBRT-IBGZPJMESA-N -1 1 471.022 5.865 40 0 JKABMM Cc1cc(C)c([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1C ZINC000223463018 569912131 /nfs/dbraw/zinc/91/21/31/569912131.db2.gz WNTRAQPEWRVRLJ-SFHVURJKSA-N -1 1 456.995 5.557 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)c(Cl)c2)cc1 ZINC000223463138 569912163 /nfs/dbraw/zinc/91/21/63/569912163.db2.gz JQDXNDJLLQQCRY-LJQANCHMSA-N -1 1 471.022 5.865 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc4ccccc4c3)c(Cl)c2)cc1 ZINC000223621077 569918152 /nfs/dbraw/zinc/91/81/52/569918152.db2.gz NMSQWXIYFSNDRD-UHFFFAOYSA-N -1 1 495.000 5.411 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C(C)(C)C)ccc2C)cc1 ZINC000223689670 569920038 /nfs/dbraw/zinc/92/00/38/569920038.db2.gz XVZQMBFMXQHBTE-UHFFFAOYSA-N -1 1 480.630 5.211 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2C)cc1 ZINC000223696612 569920288 /nfs/dbraw/zinc/92/02/88/569920288.db2.gz 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HALHQJKFEVENOL-UHFFFAOYSA-N -1 1 498.048 5.028 40 0 JKABMM Cc1ccc(SCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000408545696 570192929 /nfs/dbraw/zinc/19/29/29/570192929.db2.gz MMYYEXSRNGFOIW-UHFFFAOYSA-N -1 1 468.644 5.243 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)cc1 ZINC000408545886 570193071 /nfs/dbraw/zinc/19/30/71/570193071.db2.gz PDUGFZJYRGVGRX-UHFFFAOYSA-N -1 1 482.911 6.029 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)c1 ZINC000408546428 570193431 /nfs/dbraw/zinc/19/34/31/570193431.db2.gz SMPIGPKMALXOMA-UHFFFAOYSA-N -1 1 462.493 5.684 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSCc2ccc(Cl)cc2)ccc1C ZINC000408547385 570193689 /nfs/dbraw/zinc/19/36/89/570193689.db2.gz JANDCNJASIQJBC-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000408547672 570193803 /nfs/dbraw/zinc/19/38/03/570193803.db2.gz LDCDHPDJFYPFBY-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000408547607 570193817 /nfs/dbraw/zinc/19/38/17/570193817.db2.gz JWBRMYKWLYEQKE-UHFFFAOYSA-N -1 1 482.671 5.384 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)cc1C ZINC000408548732 570194361 /nfs/dbraw/zinc/19/43/61/570194361.db2.gz UDDAYBFVCRJMSH-UHFFFAOYSA-N -1 1 496.938 6.337 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408550883 570195087 /nfs/dbraw/zinc/19/50/87/570195087.db2.gz HXFSZTHXAWETQQ-UHFFFAOYSA-N -1 1 485.776 5.709 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccccc1 ZINC000408554641 570196407 /nfs/dbraw/zinc/19/64/07/570196407.db2.gz CYPZCSRQWIQTHS-UHFFFAOYSA-N -1 1 465.358 5.445 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(F)cc1F ZINC000408555421 570196799 /nfs/dbraw/zinc/19/67/99/570196799.db2.gz FXVFBVPKVXPZAK-UHFFFAOYSA-N -1 1 487.311 5.090 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1C ZINC000408556514 570197498 /nfs/dbraw/zinc/19/74/98/570197498.db2.gz DGJXWUOEEOKKCP-UHFFFAOYSA-N -1 1 464.465 5.076 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408557708 570198437 /nfs/dbraw/zinc/19/84/37/570198437.db2.gz HLBWBZAERQVUHX-UHFFFAOYSA-N -1 1 498.910 5.811 40 0 JKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 ZINC000408558576 570199056 /nfs/dbraw/zinc/19/90/56/570199056.db2.gz JTFZXIWMEVYHKX-UHFFFAOYSA-N -1 1 481.357 5.064 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558862 570199311 /nfs/dbraw/zinc/19/93/11/570199311.db2.gz UDNLPPNAAOPLDS-UHFFFAOYSA-N -1 1 499.803 6.099 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408559494 570199795 /nfs/dbraw/zinc/19/97/95/570199795.db2.gz XJOIQCVBLZPMCD-UHFFFAOYSA-N -1 1 493.368 5.258 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1F ZINC000408562314 570201643 /nfs/dbraw/zinc/20/16/43/570201643.db2.gz YVYVFGODFYEUGO-UHFFFAOYSA-N -1 1 482.455 5.296 40 0 JKABMM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408562349 570201724 /nfs/dbraw/zinc/20/17/24/570201724.db2.gz ZEYIGRAOSYVVJB-UHFFFAOYSA-N -1 1 495.384 5.210 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3[O-])oc2c1 ZINC000408571437 570204727 /nfs/dbraw/zinc/20/47/27/570204727.db2.gz BARFKNPWKQAGLB-GXDHUFHOSA-N -1 1 495.560 6.295 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)cc1C ZINC000408580865 570206630 /nfs/dbraw/zinc/20/66/30/570206630.db2.gz SDDHGYTWWQQCQH-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NC1CCCCCCC1 ZINC000408584095 570207475 /nfs/dbraw/zinc/20/74/75/570207475.db2.gz LNOJJYUVRNMXIC-UHFFFAOYSA-N -1 1 485.433 5.402 40 0 JKABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)ccc1OCC ZINC000408588040 570208430 /nfs/dbraw/zinc/20/84/30/570208430.db2.gz WLSGOEQFQJTQPP-UHFFFAOYSA-N -1 1 472.588 5.606 40 0 JKABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)c2ccccc2n3CC)ccc1OC ZINC000408588840 570208631 /nfs/dbraw/zinc/20/86/31/570208631.db2.gz ZKSJOHBARNCEMT-UHFFFAOYSA-N -1 1 467.547 5.192 40 0 JKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccccc4)c3)ccc21 ZINC000408589702 570208900 /nfs/dbraw/zinc/20/89/00/570208900.db2.gz FBRWYSVVIHMFLV-UHFFFAOYSA-N -1 1 499.592 5.876 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NCc1ccc(Cl)cc1Cl ZINC000408590728 570209089 /nfs/dbraw/zinc/20/90/89/570209089.db2.gz KRBKZHSJJDZODB-UHFFFAOYSA-N -1 1 499.803 5.143 40 0 JKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)ccc32)cc1 ZINC000020766081 195221337 /nfs/dbraw/zinc/22/13/37/195221337.db2.gz FYZDORLQRVOGBE-UHFFFAOYSA-N -1 1 475.397 5.696 40 0 JKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)ccc32)cc1 ZINC000020766084 195221354 /nfs/dbraw/zinc/22/13/54/195221354.db2.gz PWFOXSHYJDAIKM-UHFFFAOYSA-N -1 1 474.504 5.408 40 0 JKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4cccc(Cl)c4C)ccc32)cc1 ZINC000020766054 195221463 /nfs/dbraw/zinc/22/14/63/195221463.db2.gz KJOQLBHYCINCDN-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc21 ZINC000020766784 195222012 /nfs/dbraw/zinc/22/20/12/195222012.db2.gz AYRMXFXVDYKLLG-UHFFFAOYSA-N -1 1 460.530 5.373 40 0 JKABMM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc21 ZINC000020766842 195222061 /nfs/dbraw/zinc/22/20/61/195222061.db2.gz GPNCUZHECMEAKT-UHFFFAOYSA-N -1 1 478.467 5.238 40 0 JKABMM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)ccc21 ZINC000020766839 195222104 /nfs/dbraw/zinc/22/21/04/195222104.db2.gz FQEBZWGYUHZDHI-UHFFFAOYSA-N -1 1 479.360 5.526 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766812 195222135 /nfs/dbraw/zinc/22/21/35/195222135.db2.gz BEAVALHPUROXTM-UHFFFAOYSA-N -1 1 458.942 5.181 40 0 JKABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767145 195222416 /nfs/dbraw/zinc/22/24/16/195222416.db2.gz OSSBMQPCOBTSBM-UHFFFAOYSA-N -1 1 454.979 5.296 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1C ZINC000020767122 195222421 /nfs/dbraw/zinc/22/24/21/195222421.db2.gz LSEPXRSNLVJIQE-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21 ZINC000020767175 195222477 /nfs/dbraw/zinc/22/24/77/195222477.db2.gz KOIHQUNTMQGUOH-UHFFFAOYSA-N -1 1 461.370 5.387 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1Cl ZINC000020767196 195222540 /nfs/dbraw/zinc/22/25/40/195222540.db2.gz LENLAYNNSRVYDR-UHFFFAOYSA-N -1 1 475.397 5.696 40 0 JKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767189 195222623 /nfs/dbraw/zinc/22/26/23/195222623.db2.gz ALZMTHVYIMYNAZ-UHFFFAOYSA-N -1 1 475.397 5.696 40 0 JKABMM O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021305941 195293631 /nfs/dbraw/zinc/29/36/31/195293631.db2.gz UXQIBIGDTCKAQP-BJMVGYQFSA-N -1 1 481.788 6.100 40 0 JKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000021306114 195293683 /nfs/dbraw/zinc/29/36/83/195293683.db2.gz FVIAYMAWZWSCKN-OAHLLOKOSA-N -1 1 479.385 5.509 40 0 JKABMM CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306240 195293987 /nfs/dbraw/zinc/29/39/87/195293987.db2.gz ZAGMSPVHCRBVOR-QFIPXVFZSA-N -1 1 493.412 5.899 40 0 JKABMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(C)c1 ZINC000021306465 195294142 /nfs/dbraw/zinc/29/41/42/195294142.db2.gz WYQRQTNYWZPSKD-INIZCTEOSA-N -1 1 493.412 5.817 40 0 JKABMM O=C(CSc1nc2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2s1)c1ccc([O-])cc1 ZINC000059417611 195399605 /nfs/dbraw/zinc/39/96/05/195399605.db2.gz SDPZHDULEAVYMA-UHFFFAOYSA-N -1 1 496.569 5.931 40 0 JKABMM O=C(CSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1)c1ccc([O-])cc1 ZINC000059417594 195399765 /nfs/dbraw/zinc/39/97/65/195399765.db2.gz BUNMDGGLTFKBKT-UHFFFAOYSA-N -1 1 499.411 5.992 40 0 JKABMM CC(C)Oc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000022509931 519778987 /nfs/dbraw/zinc/77/89/87/519778987.db2.gz PVYURLMEZSGHHN-UHFFFAOYSA-N -1 1 487.021 5.291 40 0 JKABMM CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044840723 519847915 /nfs/dbraw/zinc/84/79/15/519847915.db2.gz XULLXOPVNGPIIP-QGZVFWFLSA-N -1 1 472.994 5.670 40 0 JKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1OCC ZINC000020494362 520945083 /nfs/dbraw/zinc/94/50/83/520945083.db2.gz AFMCILZALNBRIP-UHFFFAOYSA-N -1 1 482.602 5.165 40 0 JKABMM CCOc1ccc([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020485049 521222150 /nfs/dbraw/zinc/22/21/50/521222150.db2.gz SWTJCMCXLKWAIK-QGZVFWFLSA-N -1 1 472.994 5.339 40 0 JKABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000044904878 521222319 /nfs/dbraw/zinc/22/23/19/521222319.db2.gz 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40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccc(C)cc1 ZINC000022530650 522783274 /nfs/dbraw/zinc/78/32/74/522783274.db2.gz VNZUFGZSIIAQET-HSZRJFAPSA-N -1 1 450.604 5.602 40 0 JKABMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020489316 522881151 /nfs/dbraw/zinc/88/11/51/522881151.db2.gz QGBHHQINXRUBAY-QHCPKHFHSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020488212 522881549 /nfs/dbraw/zinc/88/15/49/522881549.db2.gz MEGMFQNCWVSRLK-DEOSSOPVSA-N -1 1 452.576 5.209 40 0 JKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000022526809 522883203 /nfs/dbraw/zinc/88/32/03/522883203.db2.gz BXBQEQGUNCCNLU-SANMLTNESA-N -1 1 488.609 6.054 40 0 JKABMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044840152 522897937 /nfs/dbraw/zinc/89/79/37/522897937.db2.gz PESSXMJWZAHSRZ-FQEVSTJZSA-N -1 1 479.385 5.590 40 0 JKABMM 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527090467 /nfs/dbraw/zinc/09/04/67/527090467.db2.gz QOWLLNZMLILZDZ-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020460575 527164216 /nfs/dbraw/zinc/16/42/16/527164216.db2.gz NHBQBGHEVCWXTE-UHFFFAOYSA-N -1 1 454.857 5.412 40 0 JKABMM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020493401 527174446 /nfs/dbraw/zinc/17/44/46/527174446.db2.gz KSFQOSWYGXGTIH-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(Br)cc4)cc3[O-])oc2c(C)c1 ZINC000001053132 553901802 /nfs/dbraw/zinc/90/18/02/553901802.db2.gz OVNGURQKNIQWTD-UHFFFAOYSA-N -1 1 467.319 5.597 40 0 JKABMM Cc1ccc(NC(=S)[N-]P(=O)(Oc2ccccc2)Oc2ccccc2)c(Br)c1 ZINC000001751624 553985814 /nfs/dbraw/zinc/98/58/14/553985814.db2.gz RSOIGINKQYJLDQ-UHFFFAOYSA-N -1 1 477.320 6.310 40 0 JKABMM CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3[O-])nc2c1 ZINC000001846302 553995170 /nfs/dbraw/zinc/99/51/70/553995170.db2.gz 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Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810518 554690456 /nfs/dbraw/zinc/69/04/56/554690456.db2.gz RHTOAJWXPKEEAD-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810528 554690698 /nfs/dbraw/zinc/69/06/98/554690698.db2.gz LDSUYKCJPDTIMI-UHFFFAOYSA-N -1 1 481.376 6.309 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810531 554690721 /nfs/dbraw/zinc/69/07/21/554690721.db2.gz RFSIXFANMJEBQK-UHFFFAOYSA-N -1 1 457.285 5.325 40 0 JKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000008810537 554690761 /nfs/dbraw/zinc/69/07/61/554690761.db2.gz ANGHXWSSSOUFDF-UHFFFAOYSA-N -1 1 487.767 6.147 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810532 554690768 /nfs/dbraw/zinc/69/07/68/554690768.db2.gz IKRJVBUXOBDAGE-UHFFFAOYSA-N -1 1 457.285 5.325 40 0 JKABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1 ZINC000008810553 554690796 /nfs/dbraw/zinc/69/07/96/554690796.db2.gz BLKKEIUPBJKZDO-UHFFFAOYSA-N -1 1 469.321 5.194 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1F)c1ccccc1F ZINC000008810682 554691274 /nfs/dbraw/zinc/69/12/74/554691274.db2.gz UWTODAHFBDRCDJ-UHFFFAOYSA-N -1 1 457.285 5.325 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1F)c1ccc(F)cc1 ZINC000008810846 554691539 /nfs/dbraw/zinc/69/15/39/554691539.db2.gz OJWVBJBFCMWBKX-UHFFFAOYSA-N -1 1 457.285 5.325 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1F)c1ccc(F)cc1 ZINC000008810863 554691543 /nfs/dbraw/zinc/69/15/43/554691543.db2.gz KWWSFXHUQKUPFZ-UHFFFAOYSA-N -1 1 494.519 5.597 40 0 JKABMM CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)c1 ZINC000008833322 554730814 /nfs/dbraw/zinc/73/08/14/554730814.db2.gz YBBIMQPLBBBHSU-UHFFFAOYSA-N -1 1 475.570 5.815 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)cc3[O-])oc2c(C)c1 ZINC000008833342 554730817 /nfs/dbraw/zinc/73/08/17/554730817.db2.gz QWGQURRXHHAMSH-KPKJPENVSA-N -1 1 485.609 6.467 40 0 JKABMM CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1 ZINC000008833321 554730860 /nfs/dbraw/zinc/73/08/60/554730860.db2.gz DIQPTFPUUWHCIJ-UHFFFAOYSA-N -1 1 475.570 5.815 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)cc3[O-])nc2c1 ZINC000008833345 554730869 /nfs/dbraw/zinc/73/08/69/554730869.db2.gz KSXDCJROENWOCC-UHFFFAOYSA-N -1 1 486.380 6.196 40 0 JKABMM CCN1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C[C@@H](C)CC5)c3cccc(c23)C1=O ZINC000008870436 554765438 /nfs/dbraw/zinc/76/54/38/554765438.db2.gz RLYDBWSRTSSGQY-HNNXBMFYSA-N -1 1 460.555 5.492 40 0 JKABMM CCCc1oc2c(cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc23)c1C(=O)OCC ZINC000008974099 554845592 /nfs/dbraw/zinc/84/55/92/554845592.db2.gz DQPRBDOZUUAXIN-UHFFFAOYSA-N -1 1 479.598 6.441 40 0 JKABMM CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)cc1 ZINC000009064888 554884405 /nfs/dbraw/zinc/88/44/05/554884405.db2.gz AVJWOYNBRZNELT-UHFFFAOYSA-N -1 1 451.935 5.543 40 0 JKABMM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc3ccccc3nc2Cl)cc1 ZINC000009463046 555232721 /nfs/dbraw/zinc/23/27/21/555232721.db2.gz ZQMYTSYIOLXNNG-VXNXHJTFSA-N -1 1 469.928 5.248 40 0 JKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000019931651 555549154 /nfs/dbraw/zinc/54/91/54/555549154.db2.gz POYULPDQGGFXOQ-MHZLTWQESA-N -1 1 488.609 6.054 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000019931702 555549237 /nfs/dbraw/zinc/54/92/37/555549237.db2.gz NZEMNADOJPWUIK-UHFFFAOYSA-N -1 1 478.998 5.460 40 0 JKABMM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000019932485 555549647 /nfs/dbraw/zinc/54/96/47/555549647.db2.gz ZQVXISPHPJQDSH-GOSISDBHSA-N -1 1 472.994 5.472 40 0 JKABMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1Cl ZINC000013648632 555553019 /nfs/dbraw/zinc/55/30/19/555553019.db2.gz KGDAWQUMZNCGLS-ZNZIZOMTSA-N -1 1 468.940 5.853 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3F)ccc2C)c1 ZINC000013648540 555553059 /nfs/dbraw/zinc/55/30/59/555553059.db2.gz QYZKNWRDKCPNHT-UHFFFAOYSA-N -1 1 486.634 5.215 40 0 JKABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000013669086 555558732 /nfs/dbraw/zinc/55/87/32/555558732.db2.gz FFRDEUIKYGGALU-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013669587 555559574 /nfs/dbraw/zinc/55/95/74/555559574.db2.gz NSSIXSRAGFRWLV-LJQANCHMSA-N -1 1 450.604 5.584 40 0 JKABMM Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000013669862 555560007 /nfs/dbraw/zinc/56/00/07/555560007.db2.gz CCHIUODUHIONQY-LJQANCHMSA-N -1 1 450.604 5.584 40 0 JKABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1C ZINC000013670127 555560614 /nfs/dbraw/zinc/56/06/14/555560614.db2.gz KADHWAHXCLJTOV-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)cc1C ZINC000013676951 555567846 /nfs/dbraw/zinc/56/78/46/555567846.db2.gz LZRKVGGBHGWXSD-UHFFFAOYSA-N -1 1 499.441 5.353 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)c2)cc1 ZINC000013677778 555568958 /nfs/dbraw/zinc/56/89/58/555568958.db2.gz XAUYGHMDGDTUQW-UHFFFAOYSA-N -1 1 491.613 5.064 40 0 JKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)c1 ZINC000013681030 555573799 /nfs/dbraw/zinc/57/37/99/555573799.db2.gz IGTHTUUBRPXONX-UHFFFAOYSA-N -1 1 499.441 5.353 40 0 JKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC000013683003 555576543 /nfs/dbraw/zinc/57/65/43/555576543.db2.gz GTAGADFBGCQYHW-UHFFFAOYSA-N -1 1 463.386 5.592 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(F)c(F)c1 ZINC000020023363 555601141 /nfs/dbraw/zinc/60/11/41/555601141.db2.gz RRFZDQJHPVXXRD-UHFFFAOYSA-N -1 1 487.311 5.090 40 0 JKABMM CSc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000020024307 555602368 /nfs/dbraw/zinc/60/23/68/555602368.db2.gz LTXAGSVVAHVYFL-LJQANCHMSA-N -1 1 468.644 5.328 40 0 JKABMM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000010039305 555604710 /nfs/dbraw/zinc/60/47/10/555604710.db2.gz REBJBMKUIBBJND-RIYZIHGNSA-N -1 1 456.951 5.110 40 0 JKABMM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc3ccccc3nc2Cl)cc1 ZINC000013751373 555609552 /nfs/dbraw/zinc/60/95/52/555609552.db2.gz ZQMYTSYIOLXNNG-HJOGWXRNSA-N -1 1 469.928 5.248 40 0 JKABMM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020035871 555610267 /nfs/dbraw/zinc/61/02/67/555610267.db2.gz FKAFEIKVATVIKY-KRWDZBQOSA-N -1 1 472.994 5.339 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)cc1Cl ZINC000020037606 555611889 /nfs/dbraw/zinc/61/18/89/555611889.db2.gz MISFRCNNLQWDGO-SFHVURJKSA-N -1 1 472.994 5.472 40 0 JKABMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020039422 555612837 /nfs/dbraw/zinc/61/28/37/555612837.db2.gz AVZIKRIBAQZKGG-QFIPXVFZSA-N -1 1 493.412 5.899 40 0 JKABMM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020043506 555614968 /nfs/dbraw/zinc/61/49/68/555614968.db2.gz JYTIWPLGGVJCSL-INIZCTEOSA-N -1 1 492.519 5.475 40 0 JKABMM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000020043286 555615029 /nfs/dbraw/zinc/61/50/29/555615029.db2.gz CJKPZNMRCMUTMT-NRFANRHFSA-N -1 1 488.609 5.972 40 0 JKABMM O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020049109 555618737 /nfs/dbraw/zinc/61/87/37/555618737.db2.gz JHMPHMIONBLUDM-UHFFFAOYSA-N -1 1 498.004 5.019 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)cc2)cc1 ZINC000020050299 555619428 /nfs/dbraw/zinc/61/94/28/555619428.db2.gz VGWSNPZTFXYTHS-HHHXNRCGSA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)cc1C ZINC000020050345 555619739 /nfs/dbraw/zinc/61/97/39/555619739.db2.gz YKVCVJVHYPFPRF-VWLOTQADSA-N -1 1 464.631 5.930 40 0 JKABMM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013787649 555619757 /nfs/dbraw/zinc/61/97/57/555619757.db2.gz XYZIWRRLWQCUOS-QKDODKLFSA-N -1 1 486.568 5.098 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000020060841 555623724 /nfs/dbraw/zinc/62/37/24/555623724.db2.gz CJCBEYNGWWFUQM-HNNXBMFYSA-N -1 1 495.453 6.222 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000020060840 555623788 /nfs/dbraw/zinc/62/37/88/555623788.db2.gz CJCBEYNGWWFUQM-OAHLLOKOSA-N -1 1 495.453 6.222 40 0 JKABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020104351 555636570 /nfs/dbraw/zinc/63/65/70/555636570.db2.gz GUEUTQLLPWSBIA-JOCHJYFZSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020108923 555644381 /nfs/dbraw/zinc/64/43/81/555644381.db2.gz REIRXFFQOFRIFV-NRFANRHFSA-N -1 1 493.412 5.899 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccc(OC)cc1 ZINC000020108878 555644401 /nfs/dbraw/zinc/64/44/01/555644401.db2.gz WEMBMFXFJZBHRO-QHCPKHFHSA-N -1 1 466.603 5.302 40 0 JKABMM Cc1ccccc1[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000020110211 555646269 /nfs/dbraw/zinc/64/62/69/555646269.db2.gz JJFJCRXWJBMCPS-SANMLTNESA-N -1 1 491.012 5.969 40 0 JKABMM Cc1ccccc1[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000020110212 555646335 /nfs/dbraw/zinc/64/63/35/555646335.db2.gz JJFJCRXWJBMCPS-AREMUKBSSA-N -1 1 491.012 5.969 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2C)c1 ZINC000020111115 555647864 /nfs/dbraw/zinc/64/78/64/555647864.db2.gz YINYXEZUKBBXTK-NDEPHWFRSA-N -1 1 484.621 5.932 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c(Cl)c1 ZINC000020111384 555648258 /nfs/dbraw/zinc/64/82/58/555648258.db2.gz CHANEJXZAMBDHV-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000020111725 555648952 /nfs/dbraw/zinc/64/89/52/555648952.db2.gz VKKOTDJBSAEAHL-AREMUKBSSA-N -1 1 474.582 5.745 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSC3CCCCC3)c2)cc1 ZINC000020112275 555649645 /nfs/dbraw/zinc/64/96/45/555649645.db2.gz SDZBARNISJFGMT-UHFFFAOYSA-N -1 1 467.056 5.245 40 0 JKABMM CCCCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010314353 555679832 /nfs/dbraw/zinc/67/98/32/555679832.db2.gz MCGWLOABKSOGMI-UHFFFAOYSA-N -1 1 480.586 5.313 40 0 JKABMM Cc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314850 555680913 /nfs/dbraw/zinc/68/09/13/555680913.db2.gz ILMNHSMFVCUOOU-UHFFFAOYSA-N -1 1 488.634 6.340 40 0 JKABMM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000010314721 555680919 /nfs/dbraw/zinc/68/09/19/555680919.db2.gz SDZQRYUSWWBZGQ-UHFFFAOYSA-N -1 1 476.520 5.640 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)cc1 ZINC000010314890 555680966 /nfs/dbraw/zinc/68/09/66/555680966.db2.gz VARLGVCQZZWJSR-UHFFFAOYSA-N -1 1 482.911 6.029 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3Oc3ccccc3)c2)cc1 ZINC000010314966 555681261 /nfs/dbraw/zinc/68/12/61/555681261.db2.gz QQXXXWLIUZQZCO-UHFFFAOYSA-N -1 1 458.539 5.840 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2C)cc1 ZINC000010315116 555681615 /nfs/dbraw/zinc/68/16/15/555681615.db2.gz JJUQFKAULDQFPS-UHFFFAOYSA-N -1 1 486.593 5.936 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000010315047 555681664 /nfs/dbraw/zinc/68/16/64/555681664.db2.gz QPVQWYXFUOULGF-UHFFFAOYSA-N -1 1 450.604 5.665 40 0 JKABMM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000010315072 555681702 /nfs/dbraw/zinc/68/17/02/555681702.db2.gz CRXKJNGRYQKFSG-UHFFFAOYSA-N -1 1 490.547 6.201 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2C)cc1 ZINC000010315231 555681857 /nfs/dbraw/zinc/68/18/57/555681857.db2.gz BYFDOLISFPKMEP-UHFFFAOYSA-N -1 1 482.911 6.029 40 0 JKABMM Cc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315293 555681929 /nfs/dbraw/zinc/68/19/29/555681929.db2.gz WPWABXUOKFWDTC-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1cc(C(=O)NCCSCc2ccc(Cl)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315216 555681982 /nfs/dbraw/zinc/68/19/82/555681982.db2.gz CBCVWBOPZOODPR-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315274 555682014 /nfs/dbraw/zinc/68/20/14/555682014.db2.gz XMAAHOSYKWQSIQ-UHFFFAOYSA-N -1 1 474.607 6.199 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccc(Cl)cc3)c2)cc1 ZINC000010328079 555686310 /nfs/dbraw/zinc/68/63/10/555686310.db2.gz WTVVRBIEZTZISJ-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000010329297 555686854 /nfs/dbraw/zinc/68/68/54/555686854.db2.gz JJWWEOLNJZEIBU-UHFFFAOYSA-N -1 1 477.413 5.928 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000010331997 555688041 /nfs/dbraw/zinc/68/80/41/555688041.db2.gz PGLPCFXRGUPESA-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000010336279 555691320 /nfs/dbraw/zinc/69/13/20/555691320.db2.gz DKXYMSFYOAXJDS-UHFFFAOYSA-N -1 1 462.493 5.386 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)cc3)cc2C)cc1 ZINC000010358903 555696173 /nfs/dbraw/zinc/69/61/73/555696173.db2.gz UJMNZFHGKQFUAQ-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000010362643 555697080 /nfs/dbraw/zinc/69/70/80/555697080.db2.gz PVKXCCHAQAWCSA-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010363648 555697416 /nfs/dbraw/zinc/69/74/16/555697416.db2.gz FWGSQXMJFOEPMH-UHFFFAOYSA-N -1 1 458.539 5.840 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3Cl)cc2C)cc1 ZINC000010365524 555697812 /nfs/dbraw/zinc/69/78/12/555697812.db2.gz CSKPQJGVRNGCMD-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2C)cc1 ZINC000010366208 555698015 /nfs/dbraw/zinc/69/80/15/555698015.db2.gz UPVUZRVYCKATKJ-UHFFFAOYSA-N -1 1 482.911 6.029 40 0 JKABMM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000010372105 555700239 /nfs/dbraw/zinc/70/02/39/555700239.db2.gz YVRKGOGHMBQKNW-UHFFFAOYSA-N -1 1 456.995 5.583 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000010372426 555700251 /nfs/dbraw/zinc/70/02/51/555700251.db2.gz FIMOWSOCCLYDLD-UHFFFAOYSA-N -1 1 464.631 5.973 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010372346 555700358 /nfs/dbraw/zinc/70/03/58/555700358.db2.gz RLUSSUKMUSORMJ-UHFFFAOYSA-N -1 1 488.634 6.340 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 ZINC000010434291 555709140 /nfs/dbraw/zinc/70/91/40/555709140.db2.gz YVNSARKBPTZCGP-UHFFFAOYSA-N -1 1 485.049 6.318 40 0 JKABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)ccc1Cl ZINC000014153398 555709390 /nfs/dbraw/zinc/70/93/90/555709390.db2.gz STDZCWLRILUDIK-UHFFFAOYSA-N -1 1 486.977 5.105 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2C)c(C)c1 ZINC000014153360 555709419 /nfs/dbraw/zinc/70/94/19/555709419.db2.gz ZDENQDQYUDRLBD-UHFFFAOYSA-N -1 1 450.604 6.097 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1C ZINC000014154107 555710900 /nfs/dbraw/zinc/71/09/00/555710900.db2.gz KKRGYFXXUUHNIR-UHFFFAOYSA-N -1 1 488.634 6.508 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2C)c1C ZINC000014154148 555710925 /nfs/dbraw/zinc/71/09/25/555710925.db2.gz JEUNGLMSUAJRDG-UHFFFAOYSA-N -1 1 477.413 5.649 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3cccc(Cl)c3)ccc2C)cc1 ZINC000014154062 555710987 /nfs/dbraw/zinc/71/09/87/555710987.db2.gz UYMFTHHPCMJQFQ-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000014154270 555711196 /nfs/dbraw/zinc/71/11/96/555711196.db2.gz ASKUIIAGNUDQAB-UHFFFAOYSA-N -1 1 499.416 5.805 40 0 JKABMM Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000014154194 555711200 /nfs/dbraw/zinc/71/12/00/555711200.db2.gz DFBVCRHGYFPNAG-UHFFFAOYSA-N -1 1 492.984 6.494 40 0 JKABMM O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000014154376 555711536 /nfs/dbraw/zinc/71/15/36/555711536.db2.gz ZRZQDUKIEVHXBF-UHFFFAOYSA-N -1 1 451.935 5.938 40 0 JKABMM Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000014154597 555711839 /nfs/dbraw/zinc/71/18/39/555711839.db2.gz YZGUSJWGGKMMAT-UHFFFAOYSA-N -1 1 482.671 5.384 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)c1 ZINC000014154611 555711910 /nfs/dbraw/zinc/71/19/10/555711910.db2.gz WDPALLVWNGMTDG-UHFFFAOYSA-N -1 1 462.493 5.684 40 0 JKABMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000014154706 555712251 /nfs/dbraw/zinc/71/22/51/555712251.db2.gz VDIYRZSRZVBQTR-HXUWFJFHSA-N -1 1 493.629 5.193 40 0 JKABMM CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000014155025 555712850 /nfs/dbraw/zinc/71/28/50/555712850.db2.gz VVDDVGAGSYGGBZ-UHFFFAOYSA-N -1 1 450.604 5.790 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(Cl)c3)ccc2C)cc1 ZINC000014155357 555713672 /nfs/dbraw/zinc/71/36/72/555713672.db2.gz APVFSEUSCWICTB-UHFFFAOYSA-N -1 1 493.810 5.772 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSCc2ccccc2Cl)ccc1C ZINC000014155648 555714263 /nfs/dbraw/zinc/71/42/63/555714263.db2.gz YBFPPRCMHYNSFD-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)c1 ZINC000014155908 555714645 /nfs/dbraw/zinc/71/46/45/555714645.db2.gz XIJKFZRACZIMHZ-UHFFFAOYSA-N -1 1 496.938 6.337 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c(C)c1 ZINC000014155841 555714651 /nfs/dbraw/zinc/71/46/51/555714651.db2.gz LHTIEFBADNQWPH-UHFFFAOYSA-N -1 1 470.594 6.332 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2C)c1 ZINC000014155904 555714669 /nfs/dbraw/zinc/71/46/69/555714669.db2.gz IFWFPJHMZFENRQ-UHFFFAOYSA-N -1 1 489.062 5.588 40 0 JKABMM CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000014155819 555714692 /nfs/dbraw/zinc/71/46/92/555714692.db2.gz DKYIHEWEBMCGDQ-UHFFFAOYSA-N -1 1 450.604 5.790 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)cc3[O-])oc2c1 ZINC000014270136 555761192 /nfs/dbraw/zinc/76/11/92/555761192.db2.gz HKNYDIUZARXVRF-UHFFFAOYSA-N -1 1 472.353 5.942 40 0 JKABMM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c([O-])c1 ZINC000014270150 555761497 /nfs/dbraw/zinc/76/14/97/555761497.db2.gz ORFCEEHSCBCCQC-UHFFFAOYSA-N -1 1 467.934 5.298 40 0 JKABMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000014274116 555775969 /nfs/dbraw/zinc/77/59/69/555775969.db2.gz VKBPFQFJCHGULM-UHFFFAOYSA-N -1 1 497.831 7.037 40 0 JKABMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1cccc2c(Cl)cccc12 ZINC000014274636 555777312 /nfs/dbraw/zinc/77/73/12/555777312.db2.gz WZRUCQHDEHKIOG-UHFFFAOYSA-N -1 1 473.941 6.134 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)cc3[O-])nc2c1 ZINC000014275082 555779392 /nfs/dbraw/zinc/77/93/92/555779392.db2.gz XEIMJYPULGFXOT-UHFFFAOYSA-N -1 1 475.570 5.677 40 0 JKABMM CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)cc1 ZINC000014275098 555779445 /nfs/dbraw/zinc/77/94/45/555779445.db2.gz UIIOXAVBCHMPQW-LFYBBSHMSA-N -1 1 492.000 6.504 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)cc3[O-])oc2c(C)c1 ZINC000014275063 555779452 /nfs/dbraw/zinc/77/94/52/555779452.db2.gz WYPZVPWWYJJKRG-UHFFFAOYSA-N -1 1 493.588 6.611 40 0 JKABMM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000014396217 555801954 /nfs/dbraw/zinc/80/19/54/555801954.db2.gz ZQSDNBQNZHMAIO-UHFFFAOYSA-N -1 1 478.492 5.141 40 0 JKABMM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C ZINC000014398311 555804262 /nfs/dbraw/zinc/80/42/62/555804262.db2.gz ILVARUZAJHAPQS-UHFFFAOYSA-N -1 1 458.967 5.084 40 0 JKABMM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000014400713 555806222 /nfs/dbraw/zinc/80/62/22/555806222.db2.gz HZFYGZXZCYDTRB-UHFFFAOYSA-N -1 1 488.993 5.256 40 0 JKABMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000014401787 555806766 /nfs/dbraw/zinc/80/67/66/555806766.db2.gz MOHVZCILBGTIMX-SFHVURJKSA-N -1 1 452.576 5.191 40 0 JKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000014401311 555806785 /nfs/dbraw/zinc/80/67/85/555806785.db2.gz GZAMDDQAUFPVGY-MRXNPFEDSA-N -1 1 478.492 5.221 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)N1CCC(C)CC1 ZINC000014401325 555806797 /nfs/dbraw/zinc/80/67/97/555806797.db2.gz KAWOENIKPQFEDI-UHFFFAOYSA-N -1 1 490.931 5.040 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)cc1 ZINC000020571381 555823601 /nfs/dbraw/zinc/82/36/01/555823601.db2.gz SWCGQJJOMHFKGX-UHFFFAOYSA-N -1 1 458.539 5.840 40 0 JKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5nsnc5c4)cc3[O-])nc2c1 ZINC000021596089 555854274 /nfs/dbraw/zinc/85/42/74/555854274.db2.gz VGTXZNBEQFWQAB-UHFFFAOYSA-N -1 1 489.582 5.455 40 0 JKABMM [O-]c1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)c1Cl ZINC000015015911 555856545 /nfs/dbraw/zinc/85/65/45/555856545.db2.gz XAQZEDUWUZGIID-NRFANRHFSA-N -1 1 483.380 6.346 40 0 JKABMM Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccc([O-])c(Cl)c2)Nc2ccccc2-3)cc1 ZINC000015016012 555856840 /nfs/dbraw/zinc/85/68/40/555856840.db2.gz WLEOTTRTGKLUDB-JOCHJYFZSA-N -1 1 462.962 6.001 40 0 JKABMM CCc1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022110434 555877508 /nfs/dbraw/zinc/87/75/08/555877508.db2.gz ZQHKNUWEVXKDLD-UHFFFAOYSA-N -1 1 488.238 5.895 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022110583 555877514 /nfs/dbraw/zinc/87/75/14/555877514.db2.gz YBIFJXQXSUPSJJ-UHFFFAOYSA-N -1 1 487.412 6.246 40 0 JKABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Br)c1OCc1ccccc1F ZINC000022110454 555877537 /nfs/dbraw/zinc/87/75/37/555877537.db2.gz ZPPFBFGUBOUSOJ-UHFFFAOYSA-N -1 1 481.391 5.126 40 0 JKABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022110472 555877549 /nfs/dbraw/zinc/87/75/49/555877549.db2.gz LFWMAMQPNHGIBS-UHFFFAOYSA-N -1 1 453.395 5.531 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000022110605 555877561 /nfs/dbraw/zinc/87/75/61/555877561.db2.gz NDHQHJNSNUISGU-UHFFFAOYSA-N -1 1 482.993 5.601 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000022110576 555877609 /nfs/dbraw/zinc/87/76/09/555877609.db2.gz KJYGSFKFMDOFQP-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000022110708 555877839 /nfs/dbraw/zinc/87/78/39/555877839.db2.gz YREVINOYNMLXJF-UHFFFAOYSA-N -1 1 466.538 5.087 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1ccc(Cl)cc1 ZINC000022110753 555878014 /nfs/dbraw/zinc/87/80/14/555878014.db2.gz MHYSEKJMKFMAEY-UHFFFAOYSA-N -1 1 467.982 5.377 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000022110995 555878162 /nfs/dbraw/zinc/87/81/62/555878162.db2.gz FONMSROONLPSLI-UHFFFAOYSA-N -1 1 482.993 5.601 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000022111098 555878256 /nfs/dbraw/zinc/87/82/56/555878256.db2.gz KLBQNJVMGXUFBY-UHFFFAOYSA-N -1 1 470.957 5.731 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022111073 555878283 /nfs/dbraw/zinc/87/82/83/555878283.db2.gz GZNLXSJLTUENDZ-UHFFFAOYSA-N -1 1 487.412 6.246 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000022111186 555878635 /nfs/dbraw/zinc/87/86/35/555878635.db2.gz VVFXFANVALNHQT-UHFFFAOYSA-N -1 1 462.575 5.256 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1ccc(F)cc1Cl ZINC000022111212 555878686 /nfs/dbraw/zinc/87/86/86/555878686.db2.gz IPZYSWKKLISDCH-UHFFFAOYSA-N -1 1 471.945 5.126 40 0 JKABMM S=c1[n-]ncn1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022111797 555878826 /nfs/dbraw/zinc/87/88/26/555878826.db2.gz PUDAOGBBHNEDGL-UHFFFAOYSA-N -1 1 460.184 5.333 40 0 JKABMM CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3[O-])nc2c1 ZINC000022709640 555945323 /nfs/dbraw/zinc/94/53/23/555945323.db2.gz WPTIZYUTTWWAMY-KRWDZBQOSA-N -1 1 473.598 6.458 40 0 JKABMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000016322983 556135467 /nfs/dbraw/zinc/13/54/67/556135467.db2.gz BDYIMRIKBXFCBT-UHFFFAOYSA-N -1 1 476.223 5.886 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000016779604 556159115 /nfs/dbraw/zinc/15/91/15/556159115.db2.gz INHSWANUHAUGNX-UHFFFAOYSA-N -1 1 492.597 5.542 40 0 JKABMM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)c(C)c2C ZINC000016779585 556159221 /nfs/dbraw/zinc/15/92/21/556159221.db2.gz LQHJBXQVZUBZDY-UHFFFAOYSA-N -1 1 481.017 6.521 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000016779620 556159475 /nfs/dbraw/zinc/15/94/75/556159475.db2.gz GAMHYCNRVMLXFQ-UHFFFAOYSA-N -1 1 476.598 5.842 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000016807629 556162357 /nfs/dbraw/zinc/16/23/57/556162357.db2.gz BDQKMRAJNLDZLK-UHFFFAOYSA-N -1 1 482.533 5.064 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000026116675 556246619 /nfs/dbraw/zinc/24/66/19/556246619.db2.gz KRPYQUYAIDJWIA-UHFFFAOYSA-N -1 1 466.628 5.502 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C(=O)N1CCC(C)CC1 ZINC000026118614 556247921 /nfs/dbraw/zinc/24/79/21/556247921.db2.gz PRPWAJWKJPRKLV-UHFFFAOYSA-N -1 1 453.029 5.043 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCCCCC1 ZINC000026119766 556248599 /nfs/dbraw/zinc/24/85/99/556248599.db2.gz SMVVHIWVXACDFF-UHFFFAOYSA-N -1 1 473.447 5.532 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C(=O)N1CCCCCC1 ZINC000026120022 556248880 /nfs/dbraw/zinc/24/88/80/556248880.db2.gz OEMYZEQGKVLDAB-UHFFFAOYSA-N -1 1 453.029 5.187 40 0 JKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018037986 556278650 /nfs/dbraw/zinc/27/86/50/556278650.db2.gz MHVHYYNMBVRZLE-PVHODMMVSA-N -1 1 486.568 5.234 40 0 JKABMM O=[P@]([O-])(O)[C@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000027987244 556310923 /nfs/dbraw/zinc/31/09/23/556310923.db2.gz ZZJOMEARMHMSDN-QHCPKHFHSA-N -1 1 453.866 5.159 40 0 JKABMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000028066344 556315734 /nfs/dbraw/zinc/31/57/34/556315734.db2.gz VNUOXKWLIPTHOT-LOSJGSFVSA-N -1 1 498.608 5.182 40 0 JKABMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206966 556317750 /nfs/dbraw/zinc/31/77/50/556317750.db2.gz NDXITPKMBPMQAB-OAHLLOKOSA-N -1 1 460.477 5.098 40 0 JKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028207145 556317847 /nfs/dbraw/zinc/31/78/47/556317847.db2.gz LWOHAUWJVJJPMZ-LJQANCHMSA-N -1 1 492.597 5.036 40 0 JKABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000030752979 556371905 /nfs/dbraw/zinc/37/19/05/556371905.db2.gz XLOONERMDIASJR-SANMLTNESA-N -1 1 490.581 5.445 40 0 JKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1OCC ZINC000030849954 556377309 /nfs/dbraw/zinc/37/73/09/556377309.db2.gz KWYUZHIFAITRDM-UHFFFAOYSA-N -1 1 496.629 5.473 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c(Cl)c1 ZINC000030851382 556377551 /nfs/dbraw/zinc/37/75/51/556377551.db2.gz PCHWIPOWYLJQKC-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2C)c1 ZINC000030855691 556379812 /nfs/dbraw/zinc/37/98/12/556379812.db2.gz YGTFGPDSAVPMCS-XMMPIXPASA-N -1 1 450.604 5.621 40 0 JKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000030860690 556381450 /nfs/dbraw/zinc/38/14/50/556381450.db2.gz FGZKXFFOIBQUAZ-QFIPXVFZSA-N -1 1 475.035 5.959 40 0 JKABMM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000030860227 556381517 /nfs/dbraw/zinc/38/15/17/556381517.db2.gz HOCPVGGQCTVLNF-UHFFFAOYSA-N -1 1 464.971 5.152 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000030860604 556381542 /nfs/dbraw/zinc/38/15/42/556381542.db2.gz BGDZGDHGYGRPJO-XMMPIXPASA-N -1 1 452.576 5.013 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1)c1ccc(OC)cc1 ZINC000030863029 556382478 /nfs/dbraw/zinc/38/24/78/556382478.db2.gz ZLAUUCARMLUKHI-DEOSSOPVSA-N -1 1 466.603 5.302 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000030871907 556385389 /nfs/dbraw/zinc/38/53/89/556385389.db2.gz JMPBYHQXLPVETE-RUZDIDTESA-N -1 1 466.603 5.322 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000030872629 556385755 /nfs/dbraw/zinc/38/57/55/556385755.db2.gz XFNSQTKTORMLMP-DEOSSOPVSA-N -1 1 487.021 5.667 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 ZINC000030872874 556385773 /nfs/dbraw/zinc/38/57/73/556385773.db2.gz SMJFQURWDIXICQ-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc4ccccc4c3)c2)cc1 ZINC000030873527 556386154 /nfs/dbraw/zinc/38/61/54/556386154.db2.gz FGSFIDJLSBLSFJ-UHFFFAOYSA-N -1 1 450.947 5.855 40 0 JKABMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000057314123 569596848 /nfs/dbraw/zinc/59/68/48/569596848.db2.gz AXZPPRFXVIZLBP-ZRDIBKRKSA-N -1 1 454.979 6.130 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCC(=O)N4CCc5ccccc54)sc3c2)cc1 ZINC000059417608 569602773 /nfs/dbraw/zinc/60/27/73/569602773.db2.gz YZSOSRQFJZLPPL-UHFFFAOYSA-N -1 1 495.651 5.087 40 0 JKABMM O=C1[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)S1 ZINC000059427568 569603606 /nfs/dbraw/zinc/60/36/06/569603606.db2.gz COPVONYNKSYKEU-XQNSMLJCSA-N -1 1 456.954 6.789 40 0 JKABMM Cc1ccc(COc2c(Br)cc(Br)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000033554796 569627782 /nfs/dbraw/zinc/62/77/82/569627782.db2.gz UAUOLWFBGVQHOF-CHHVJCJISA-N -1 1 499.249 6.428 40 0 JKABMM Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(C(C)(C)C)cc(Cl)c3[O-])o2)cc1C ZINC000033649183 569629585 /nfs/dbraw/zinc/62/95/85/569629585.db2.gz NDFWNFQPVPWVOH-UHFFFAOYSA-N -1 1 456.995 6.347 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2C)c(C)c1 ZINC000033731029 569632397 /nfs/dbraw/zinc/63/23/97/569632397.db2.gz HQKVMVYOHQHEOH-UHFFFAOYSA-N -1 1 498.648 6.255 40 0 JKABMM CCOc1cc(COc2ccc(C=C3SC(=S)[N-]C3=O)cc2)ccc1OCc1ccccc1 ZINC000033734875 569632791 /nfs/dbraw/zinc/63/27/91/569632791.db2.gz WWXSUTWFCDVRQC-BUVRLJJBSA-N -1 1 477.607 6.572 40 0 JKABMM Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000033825898 569635733 /nfs/dbraw/zinc/63/57/33/569635733.db2.gz VILZOVDZLHENQH-UHFFFAOYSA-N -1 1 499.803 5.774 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000034799584 569661100 /nfs/dbraw/zinc/66/11/00/569661100.db2.gz UYRSGMNBMFCYQG-UHFFFAOYSA-N -1 1 485.776 5.709 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000034852253 569667223 /nfs/dbraw/zinc/66/72/23/569667223.db2.gz PUCZOQUJDOJRDE-UHFFFAOYSA-N -1 1 485.776 5.709 40 0 JKABMM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000101039367 569780310 /nfs/dbraw/zinc/78/03/10/569780310.db2.gz MCHXRCKPXYDWTL-SGNDLWITSA-N -1 1 469.928 5.248 40 0 JKABMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000038752682 569806441 /nfs/dbraw/zinc/80/64/41/569806441.db2.gz DHUVGVZBUPSCFS-OAQYLSRUSA-N -1 1 492.519 5.611 40 0 JKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000038753525 569806487 /nfs/dbraw/zinc/80/64/87/569806487.db2.gz PXUMQKLBFVHKNN-QHCPKHFHSA-N -1 1 472.994 5.554 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)ccc2C)cc1C ZINC000038754231 569806732 /nfs/dbraw/zinc/80/67/32/569806732.db2.gz NCEXLLDWPTWYAH-GDLZYMKVSA-N -1 1 498.648 6.240 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2C)cc1C ZINC000038754233 569806761 /nfs/dbraw/zinc/80/67/61/569806761.db2.gz NCEXLLDWPTWYAH-LJAQVGFWSA-N -1 1 498.648 6.240 40 0 JKABMM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c1 ZINC000038754860 569806843 /nfs/dbraw/zinc/80/68/43/569806843.db2.gz YKWVCJHRBBNRJA-LJQANCHMSA-N -1 1 487.021 5.780 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2C)c1 ZINC000038757094 569807379 /nfs/dbraw/zinc/80/73/79/569807379.db2.gz KDJWMCZDMUETKP-UHFFFAOYSA-N -1 1 466.603 5.130 40 0 JKABMM COc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1Cl ZINC000038757083 569807390 /nfs/dbraw/zinc/80/73/90/569807390.db2.gz OSTKRWFCKPGGOX-UHFFFAOYSA-N -1 1 465.358 5.364 40 0 JKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000038757104 569807411 /nfs/dbraw/zinc/80/74/11/569807411.db2.gz HFCGOMXNKBESSA-OAQYLSRUSA-N -1 1 495.453 6.304 40 0 JKABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000038771328 569807539 /nfs/dbraw/zinc/80/75/39/569807539.db2.gz NBXNBAQHTORZJF-QHCPKHFHSA-N -1 1 488.993 5.254 40 0 JKABMM O=C(NCCSCc1cccc(Cl)c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000038771176 569807547 /nfs/dbraw/zinc/80/75/47/569807547.db2.gz HGTZJLVURSBJDF-UHFFFAOYSA-N -1 1 495.453 5.457 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c2ccccc2)cc1 ZINC000038757156 569807570 /nfs/dbraw/zinc/80/75/70/569807570.db2.gz WARXKFFHJBGNLB-MHZLTWQESA-N -1 1 470.594 5.624 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000038772272 569807612 /nfs/dbraw/zinc/80/76/12/569807612.db2.gz PCMHSZLGVRYQBN-JOCHJYFZSA-N -1 1 458.967 5.245 40 0 JKABMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000038772270 569807676 /nfs/dbraw/zinc/80/76/76/569807676.db2.gz PCMHSZLGVRYQBN-QFIPXVFZSA-N -1 1 458.967 5.245 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3)c(Cl)c2)cc1 ZINC000038772840 569807732 /nfs/dbraw/zinc/80/77/32/569807732.db2.gz VZXTYSXMVXUZGO-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707306 569816541 /nfs/dbraw/zinc/81/65/41/569816541.db2.gz IWRYMFUIBSOYMV-SDHOMARFSA-N -1 1 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FMTHPZUMGGFKMP-SANMLTNESA-N -1 1 476.642 5.864 40 0 JKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223068379 569898400 /nfs/dbraw/zinc/89/84/00/569898400.db2.gz VSPCVMMQRUJGHM-VWLOTQADSA-N -1 1 462.615 5.556 40 0 JKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223095254 569899271 /nfs/dbraw/zinc/89/92/71/569899271.db2.gz XIDGZOSAMPRYRC-VWLOTQADSA-N -1 1 483.033 5.901 40 0 JKABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3SCc3ccc(Cl)cc3)ccc21 ZINC000223114792 569899807 /nfs/dbraw/zinc/89/98/07/569899807.db2.gz LAHIEDJLBYICST-UHFFFAOYSA-N -1 1 487.046 5.732 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)c1C ZINC000223182269 569902474 /nfs/dbraw/zinc/90/24/74/569902474.db2.gz ATZIHWZRMGAXHM-HXUWFJFHSA-N -1 1 462.615 5.392 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)c(Cl)c2)cc1 ZINC000223217159 569903805 /nfs/dbraw/zinc/90/38/05/569903805.db2.gz JKPGTMQRYQIGQA-QGZVFWFLSA-N -1 1 469.006 5.429 40 0 JKABMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccc2c(c1)CCC2 ZINC000223217026 569903848 /nfs/dbraw/zinc/90/38/48/569903848.db2.gz CCZLPOUFNKQDGF-INIZCTEOSA-N -1 1 454.979 5.121 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccccc4)s3)ccc2C)c1C ZINC000223292688 569906430 /nfs/dbraw/zinc/90/64/30/569906430.db2.gz SWIIPGPZUNFAKC-UHFFFAOYSA-N -1 1 478.599 5.183 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1C(C)C ZINC000223301172 569906590 /nfs/dbraw/zinc/90/65/90/569906590.db2.gz SJXROGAFYLIZMD-OAQYLSRUSA-N -1 1 494.657 6.036 40 0 JKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1C(C)C ZINC000223300961 569906624 /nfs/dbraw/zinc/90/66/24/569906624.db2.gz ICKRIJPVHUYLBQ-FQEVSTJZSA-N -1 1 480.630 5.727 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1C(C)C ZINC000223300918 569906631 /nfs/dbraw/zinc/90/66/31/569906631.db2.gz ICKRIJPVHUYLBQ-HXUWFJFHSA-N -1 1 480.630 5.727 40 0 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Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)ccc2C)c1 ZINC000223426970 569910948 /nfs/dbraw/zinc/91/09/48/569910948.db2.gz SLAMXJDOXOEEHH-OAQYLSRUSA-N -1 1 450.604 5.521 40 0 JKABMM Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1C ZINC000223427253 569911014 /nfs/dbraw/zinc/91/10/14/569911014.db2.gz ODWSPLVNYANOSU-QFIPXVFZSA-N -1 1 464.631 5.829 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2C)cc1 ZINC000223437404 569911398 /nfs/dbraw/zinc/91/13/98/569911398.db2.gz PYDBFLWTWMZNEP-NRFANRHFSA-N -1 1 450.604 5.521 40 0 JKABMM CCC1(CC)C[C@H](NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc2O1 ZINC000223507852 569913928 /nfs/dbraw/zinc/91/39/28/569913928.db2.gz RSWLSWICSZSRGA-DEOSSOPVSA-N -1 1 478.614 5.608 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cccc4ccccc43)ccc2C)c1 ZINC000223529062 569914678 /nfs/dbraw/zinc/91/46/78/569914678.db2.gz OBZFWNNGGCRXSM-UHFFFAOYSA-N -1 1 488.609 5.375 40 0 JKABMM 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CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc(OC)c(C)c1 ZINC000225154541 569978603 /nfs/dbraw/zinc/97/86/03/569978603.db2.gz ZHNNFNDIMZOYAH-QFIPXVFZSA-N -1 1 472.994 5.339 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)ccc2C)cc1C ZINC000408627874 569981290 /nfs/dbraw/zinc/98/12/90/569981290.db2.gz QPZMKTBSWJDBGC-UHFFFAOYSA-N -1 1 493.629 5.193 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccc2C)c1 ZINC000408627911 569981303 /nfs/dbraw/zinc/98/13/03/569981303.db2.gz RKURTXIPNMIXDF-UHFFFAOYSA-N -1 1 496.938 6.337 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)ccc2C)c(C)c1 ZINC000408629378 569981526 /nfs/dbraw/zinc/98/15/26/569981526.db2.gz ABHKWGJKTLYOCK-UHFFFAOYSA-N -1 1 493.629 5.193 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc45)o3)cc2)c1 ZINC000408630360 569982220 /nfs/dbraw/zinc/98/22/20/569982220.db2.gz SIBSPPATHKNNKN-UHFFFAOYSA-N -1 1 456.523 5.948 40 0 JKABMM 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Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)c(C)c1 ZINC000408635543 569985936 /nfs/dbraw/zinc/98/59/36/569985936.db2.gz DIWLDKMRORPGJM-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408635650 569985981 /nfs/dbraw/zinc/98/59/81/569985981.db2.gz GPSKDXRVDTYJKD-UHFFFAOYSA-N -1 1 486.874 5.859 40 0 JKABMM CSc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000408636310 569986588 /nfs/dbraw/zinc/98/65/88/569986588.db2.gz NXZOQJJHFPMMQA-UHFFFAOYSA-N -1 1 480.533 5.789 40 0 JKABMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1OC ZINC000408636254 569986594 /nfs/dbraw/zinc/98/65/94/569986594.db2.gz MVRUJKHPCQOKHC-UHFFFAOYSA-N -1 1 494.491 5.084 40 0 JKABMM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636727 569986945 /nfs/dbraw/zinc/98/69/45/569986945.db2.gz UIGCCCAHFMKTFG-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408636731 569986966 /nfs/dbraw/zinc/98/69/66/569986966.db2.gz ULPFCNVBYBINPK-UHFFFAOYSA-N -1 1 452.429 5.206 40 0 JKABMM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)c1 ZINC000408637047 569987191 /nfs/dbraw/zinc/98/71/91/569987191.db2.gz WQFIZNSZMZEXHU-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM CCc1ccc(CC)c(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000225466852 569997954 /nfs/dbraw/zinc/99/79/54/569997954.db2.gz XCWRFQBLWZFWBX-UHFFFAOYSA-N -1 1 450.604 5.159 40 0 JKABMM Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000225485943 569999136 /nfs/dbraw/zinc/99/91/36/569999136.db2.gz CVVPVPSMCXDHMG-UHFFFAOYSA-N -1 1 496.639 5.192 40 0 JKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc2O1 ZINC000225508400 570000920 /nfs/dbraw/zinc/00/09/20/570000920.db2.gz IAVADVGJQCULJK-XMMPIXPASA-N -1 1 478.614 5.608 40 0 JKABMM 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CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408679659 570011852 /nfs/dbraw/zinc/01/18/52/570011852.db2.gz JGZABPJAAGKYLU-HXUWFJFHSA-N -1 1 462.930 5.076 40 0 JKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c(C)c1 ZINC000408680248 570012098 /nfs/dbraw/zinc/01/20/98/570012098.db2.gz QJXPWDZKVTUHIB-GOSISDBHSA-N -1 1 472.994 5.472 40 0 JKABMM Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c1 ZINC000408680338 570012211 /nfs/dbraw/zinc/01/22/11/570012211.db2.gz RFYHTQZHPLLCES-SFHVURJKSA-N -1 1 472.994 5.472 40 0 JKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c(C)c1 ZINC000408680919 570012410 /nfs/dbraw/zinc/01/24/10/570012410.db2.gz TVZOFBGBRICDJS-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408680896 570012436 /nfs/dbraw/zinc/01/24/36/570012436.db2.gz SMLRIYHWMKDYPN-KRWDZBQOSA-N -1 1 458.967 5.164 40 0 JKABMM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000408681166 570012471 /nfs/dbraw/zinc/01/24/71/570012471.db2.gz PQBWGRLNAAWCSH-OAQYLSRUSA-N -1 1 476.957 5.384 40 0 JKABMM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408681575 570012531 /nfs/dbraw/zinc/01/25/31/570012531.db2.gz YBKXKAVUPZMAKL-OAQYLSRUSA-N -1 1 488.993 5.254 40 0 JKABMM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408681912 570012762 /nfs/dbraw/zinc/01/27/62/570012762.db2.gz VYAKZVBAYWQRTJ-XMMPIXPASA-N -1 1 490.581 5.445 40 0 JKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1C ZINC000408682405 570012873 /nfs/dbraw/zinc/01/28/73/570012873.db2.gz YCSXRQJETQWIFB-HXUWFJFHSA-N -1 1 474.582 5.663 40 0 JKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c2ccccc2O1 ZINC000225681555 570014350 /nfs/dbraw/zinc/01/43/50/570014350.db2.gz CJIGATORYUIQNA-RUZDIDTESA-N -1 1 492.641 5.917 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1 ZINC000408693229 570015916 /nfs/dbraw/zinc/01/59/16/570015916.db2.gz SDGORRSQAVVPJW-UHFFFAOYSA-N -1 1 475.035 6.202 40 0 JKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)N4CCCCC4)c3)ccc21 ZINC000408693453 570016183 /nfs/dbraw/zinc/01/61/83/570016183.db2.gz VIOWUDRISXNAQT-UHFFFAOYSA-N -1 1 491.613 5.250 40 0 JKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c(C)c1 ZINC000408694093 570016671 /nfs/dbraw/zinc/01/66/71/570016671.db2.gz BGBBCWKIIGCLEI-QGZVFWFLSA-N -1 1 492.519 5.529 40 0 JKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1C ZINC000408694169 570016742 /nfs/dbraw/zinc/01/67/42/570016742.db2.gz DLILCLHYDATGJG-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408694122 570016790 /nfs/dbraw/zinc/01/67/90/570016790.db2.gz BXXRKEAVVRVHBY-OAQYLSRUSA-N -1 1 489.391 5.046 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3)cc2)c1 ZINC000408694387 570016902 /nfs/dbraw/zinc/01/69/02/570016902.db2.gz FKGFVGUFFQBZKE-FQEVSTJZSA-N -1 1 452.576 5.127 40 0 JKABMM Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1 ZINC000408694367 570016936 /nfs/dbraw/zinc/01/69/36/570016936.db2.gz DNLLFUGNGLQHAS-GOSISDBHSA-N -1 1 472.994 5.472 40 0 JKABMM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408694606 570017124 /nfs/dbraw/zinc/01/71/24/570017124.db2.gz KONXAPOFVDPIPH-FQEVSTJZSA-N -1 1 462.930 5.076 40 0 JKABMM Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1 ZINC000408694821 570017237 /nfs/dbraw/zinc/01/72/37/570017237.db2.gz MWMTUFSVYULVKJ-KRWDZBQOSA-N -1 1 458.967 5.164 40 0 JKABMM Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1 ZINC000408694823 570017320 /nfs/dbraw/zinc/01/73/20/570017320.db2.gz MWMTUFSVYULVKJ-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000408694929 570017398 /nfs/dbraw/zinc/01/73/98/570017398.db2.gz KGKJUTLYTIRTIZ-JOCHJYFZSA-N -1 1 458.967 5.245 40 0 JKABMM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000408694930 570017462 /nfs/dbraw/zinc/01/74/62/570017462.db2.gz KGKJUTLYTIRTIZ-QFIPXVFZSA-N -1 1 458.967 5.245 40 0 JKABMM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000408695116 570017586 /nfs/dbraw/zinc/01/75/86/570017586.db2.gz PTJRFTIZDNMJQP-QFIPXVFZSA-N -1 1 456.539 5.039 40 0 JKABMM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000408695517 570017941 /nfs/dbraw/zinc/01/79/41/570017941.db2.gz VUMFIYIVRKVAIZ-JOCHJYFZSA-N -1 1 493.412 5.899 40 0 JKABMM Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000408695946 570018227 /nfs/dbraw/zinc/01/82/27/570018227.db2.gz WGCKGMQGJFRDMB-FQEVSTJZSA-N -1 1 474.582 5.663 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1)c1ccc(OC)c(C)c1 ZINC000225742351 570019059 /nfs/dbraw/zinc/01/90/59/570019059.db2.gz PFJPORVECORGEG-XMMPIXPASA-N -1 1 480.630 5.611 40 0 JKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)ccc2n1Cc1ccccc1 ZINC000225744631 570019249 /nfs/dbraw/zinc/01/92/49/570019249.db2.gz IUUKPLYZPLTBGP-UHFFFAOYSA-N -1 1 472.591 5.579 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 ZINC000225784763 570021580 /nfs/dbraw/zinc/02/15/80/570021580.db2.gz FYCOCKZENYNALC-UHFFFAOYSA-N -1 1 479.410 5.527 40 0 JKABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 ZINC000225786734 570021591 /nfs/dbraw/zinc/02/15/91/570021591.db2.gz ZSWZTGJPNNYVJH-UHFFFAOYSA-N -1 1 473.019 5.436 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c(C)c1 ZINC000225796747 570022047 /nfs/dbraw/zinc/02/20/47/570022047.db2.gz YECUUKDNNUDNJU-UHFFFAOYSA-N -1 1 458.992 5.182 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000408702476 570022563 /nfs/dbraw/zinc/02/25/63/570022563.db2.gz GUQVMZSEDYUISQ-UHFFFAOYSA-N -1 1 469.994 5.383 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000408703069 570022954 /nfs/dbraw/zinc/02/29/54/570022954.db2.gz MLSQFXCOPSNEOY-KRWDZBQOSA-N -1 1 458.967 5.164 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000408703233 570023102 /nfs/dbraw/zinc/02/31/02/570023102.db2.gz PBKLOYTXHDBEKF-GOSISDBHSA-N -1 1 472.994 5.472 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000408703843 570023569 /nfs/dbraw/zinc/02/35/69/570023569.db2.gz ZIEDLMWPKBOEMO-IBGZPJMESA-N -1 1 460.555 5.355 40 0 JKABMM CCc1ccc(CC)c(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000225847531 570024575 /nfs/dbraw/zinc/02/45/75/570024575.db2.gz MZPCQKCWPPWBDN-UHFFFAOYSA-N -1 1 471.022 5.504 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000408705739 570024756 /nfs/dbraw/zinc/02/47/56/570024756.db2.gz MMMWRXXGASWLAA-OAHLLOKOSA-N -1 1 479.385 5.509 40 0 JKABMM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408705864 570024807 /nfs/dbraw/zinc/02/48/07/570024807.db2.gz OZFGKCOKNDVWMT-UHFFFAOYSA-N -1 1 493.412 5.900 40 0 JKABMM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408706058 570024927 /nfs/dbraw/zinc/02/49/27/570024927.db2.gz UIBXUUZGFIKGQX-UHFFFAOYSA-N -1 1 472.994 5.555 40 0 JKABMM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c2ccccc21 ZINC000408721504 570026989 /nfs/dbraw/zinc/02/69/89/570026989.db2.gz ISKCNDWLPRBWSK-UHFFFAOYSA-N -1 1 462.914 5.095 40 0 JKABMM COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408735448 570030086 /nfs/dbraw/zinc/03/00/86/570030086.db2.gz SAABXBGKKDZJPE-UHFFFAOYSA-N -1 1 461.370 6.575 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OCc1cccc(F)c1 ZINC000408735466 570030115 /nfs/dbraw/zinc/03/01/15/570030115.db2.gz SIPCJOMQAMTZTJ-UHFFFAOYSA-N -1 1 450.535 6.060 40 0 JKABMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)c1 ZINC000226860924 570039077 /nfs/dbraw/zinc/03/90/77/570039077.db2.gz LYXUTOHDNQMLKR-UHFFFAOYSA-N -1 1 472.733 5.938 40 0 JKABMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408785778 570042880 /nfs/dbraw/zinc/04/28/80/570042880.db2.gz ZDSNKRGLOPZZKV-FRKPEAEDSA-N -1 1 499.180 5.123 40 0 JKABMM C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc([O-])c(Br)c2)SC1Nc1ccccc1 ZINC000408803714 570046788 /nfs/dbraw/zinc/04/67/88/570046788.db2.gz SKJTUJPBXAVMAZ-WFWAGITPSA-N -1 1 472.428 6.209 40 0 JKABMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408814137 570049887 /nfs/dbraw/zinc/04/98/87/570049887.db2.gz QGODIYSMKKBQKG-DEDYPNTBSA-N -1 1 477.611 5.611 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)c1 ZINC000408905919 570070685 /nfs/dbraw/zinc/07/06/85/570070685.db2.gz BAKNJDHLIYGCCB-WUXMJOGZSA-N -1 1 461.370 5.755 40 0 JKABMM O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408907744 570071276 /nfs/dbraw/zinc/07/12/76/570071276.db2.gz QMRVWMKFYYGPCC-AWNIVKPZSA-N -1 1 464.440 5.297 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408908200 570071448 /nfs/dbraw/zinc/07/14/48/570071448.db2.gz VEWJBKJNBIJSHV-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 ZINC000408910784 570072627 /nfs/dbraw/zinc/07/26/27/570072627.db2.gz KVXTWDRGJYIZQA-UHFFFAOYSA-N -1 1 489.302 6.065 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1Cl ZINC000408912268 570073348 /nfs/dbraw/zinc/07/33/48/570073348.db2.gz PQXJCYCXBXGURY-UHFFFAOYSA-N -1 1 489.302 6.065 40 0 JKABMM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408915277 570075085 /nfs/dbraw/zinc/07/50/85/570075085.db2.gz YZRXJIWSUHXIBN-UHFFFAOYSA-N -1 1 498.910 5.486 40 0 JKABMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccccc2)cc1 ZINC000408920640 570077006 /nfs/dbraw/zinc/07/70/06/570077006.db2.gz LHXUFHHBPOFLLE-NHFJDJAPSA-N -1 1 484.577 5.675 40 0 JKABMM Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1 ZINC000408920793 570077083 /nfs/dbraw/zinc/07/70/83/570077083.db2.gz NFEZBLOIRHLMSZ-UHFFFAOYSA-N -1 1 489.062 5.938 40 0 JKABMM COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000408921101 570077214 /nfs/dbraw/zinc/07/72/14/570077214.db2.gz SFLCSACDTYOPAE-UHFFFAOYSA-N -1 1 492.622 5.521 40 0 JKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1OC ZINC000408922019 570077486 /nfs/dbraw/zinc/07/74/86/570077486.db2.gz OBAJXVMWQJWISA-GZTJUZNOSA-N -1 1 488.565 5.310 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cccc(Cl)c1 ZINC000408922553 570077639 /nfs/dbraw/zinc/07/76/39/570077639.db2.gz CCAWBCOZZHAVGW-UHFFFAOYSA-N -1 1 489.302 6.065 40 0 JKABMM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408922747 570077680 /nfs/dbraw/zinc/07/76/80/570077680.db2.gz RWSFEZSRFFVDOH-UHFFFAOYSA-N -1 1 485.776 5.465 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 ZINC000408922652 570077704 /nfs/dbraw/zinc/07/77/04/570077704.db2.gz GEBBOIJSDYKTFT-QGZVFWFLSA-N -1 1 475.035 5.710 40 0 JKABMM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408925145 570078268 /nfs/dbraw/zinc/07/82/68/570078268.db2.gz KANABYHDZTUHGD-HNNXBMFYSA-N -1 1 491.432 5.369 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3cc(C)cc(C)c3)cc2)c1 ZINC000408925083 570078321 /nfs/dbraw/zinc/07/83/21/570078321.db2.gz IYRZRRVHEYZULA-UHFFFAOYSA-N -1 1 454.617 5.285 40 0 JKABMM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000408927220 570078715 /nfs/dbraw/zinc/07/87/15/570078715.db2.gz YRBHYEVMMFMAPY-UHFFFAOYSA-N -1 1 462.394 5.059 40 0 JKABMM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408927676 570078854 /nfs/dbraw/zinc/07/88/54/570078854.db2.gz ZHMNWUKOUKSDLU-SFHVURJKSA-N -1 1 462.596 5.760 40 0 JKABMM O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408927589 570078905 /nfs/dbraw/zinc/07/89/05/570078905.db2.gz XUOGXWVATTZDGS-UHFFFAOYSA-N -1 1 462.596 5.762 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000408927331 570078961 /nfs/dbraw/zinc/07/89/61/570078961.db2.gz ZBIBDLSMVJLIEW-UHFFFAOYSA-N -1 1 499.803 5.774 40 0 JKABMM COc1ccc(OC)c(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCCC5)cc2)c1 ZINC000408985802 570092222 /nfs/dbraw/zinc/09/22/22/570092222.db2.gz AZYZVOUXDHKYEB-UHFFFAOYSA-N -1 1 476.598 6.319 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1ccc(F)cc1 ZINC000408985977 570092265 /nfs/dbraw/zinc/09/22/65/570092265.db2.gz BNUKVDYDUJUXBG-UHFFFAOYSA-N -1 1 478.589 6.840 40 0 JKABMM Cc1cc(C)c(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCCC5)cc2)c(C)c1 ZINC000408992526 570094407 /nfs/dbraw/zinc/09/44/07/570094407.db2.gz TWVJLVIEXFZXBO-UHFFFAOYSA-N -1 1 458.627 7.227 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1ccc(F)cc1 ZINC000408992477 570094473 /nfs/dbraw/zinc/09/44/73/570094473.db2.gz SWCHAGSBBPXOIC-UHFFFAOYSA-N -1 1 464.562 6.450 40 0 JKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 ZINC000409025356 570104195 /nfs/dbraw/zinc/10/41/95/570104195.db2.gz PRVAWZLKLOLLTQ-UHFFFAOYSA-N -1 1 491.805 5.248 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1Cl ZINC000409167773 570153852 /nfs/dbraw/zinc/15/38/52/570153852.db2.gz NAWXIYPEJLGIOQ-LZYBPNLTSA-N -1 1 483.033 6.399 40 0 JKABMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409171842 570155237 /nfs/dbraw/zinc/15/52/37/570155237.db2.gz BULPFPVFFLGXEJ-KRWDZBQOSA-N -1 1 475.035 5.877 40 0 JKABMM CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)c(Br)c(Cl)c1[O-] ZINC000260775258 570157780 /nfs/dbraw/zinc/15/77/80/570157780.db2.gz PVQWDRHQUVOMGA-UZCIPKQKSA-N -1 1 482.831 5.581 40 0 JKABMM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000409178134 570157804 /nfs/dbraw/zinc/15/78/04/570157804.db2.gz IYIGJGPZRYCJRS-UHFFFAOYSA-N -1 1 476.623 6.070 40 0 JKABMM CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)c(Br)c(Cl)c1[O-] ZINC000260775247 570157874 /nfs/dbraw/zinc/15/78/74/570157874.db2.gz PVQWDRHQUVOMGA-FJNPEDAXSA-N -1 1 482.831 5.581 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000409180206 570158830 /nfs/dbraw/zinc/15/88/30/570158830.db2.gz XATZUESVSHWHAP-UHFFFAOYSA-N -1 1 476.985 6.369 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000409180732 570158973 /nfs/dbraw/zinc/15/89/73/570158973.db2.gz UWXPJCWNFICAQF-HKOYGPOVSA-N -1 1 458.539 5.568 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000409181474 570159382 /nfs/dbraw/zinc/15/93/82/570159382.db2.gz BFSMFMGLIWFARL-LZYBPNLTSA-N -1 1 483.033 6.399 40 0 JKABMM Cc1n[nH]c(SC(=Cc2ccc(-c3cc(Br)ccc3Br)o2)C(=O)[O-])n1 ZINC000409188025 570160966 /nfs/dbraw/zinc/16/09/66/570160966.db2.gz FFDJRDZKAORSKA-VGOFMYFVSA-N -1 1 485.157 5.116 40 0 JKABMM Cc1nc(SC(=Cc2ccc(-c3cc(Br)ccc3Br)o2)C(=O)[O-])n[nH]1 ZINC000409188025 570160967 /nfs/dbraw/zinc/16/09/67/570160967.db2.gz FFDJRDZKAORSKA-VGOFMYFVSA-N -1 1 485.157 5.116 40 0 JKABMM Cc1n[nH]c(SC(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])n1 ZINC000409195856 570163483 /nfs/dbraw/zinc/16/34/83/570163483.db2.gz WKFHVYKFFFGRHK-UWVJOHFNSA-N -1 1 459.358 5.641 40 0 JKABMM Cc1nc(SC(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000409195856 570163485 /nfs/dbraw/zinc/16/34/85/570163485.db2.gz WKFHVYKFFFGRHK-UWVJOHFNSA-N -1 1 459.358 5.641 40 0 JKABMM O=c1[n-]c(SCc2ccc(Cl)cc2)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc([O-])c(Cl)c1 ZINC000261364885 570168721 /nfs/dbraw/zinc/16/87/21/570168721.db2.gz OLWROVUJQYHWJN-NRFANRHFSA-O -1 1 484.388 5.414 40 0 JKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OC(=O)c1cccc2ccccc21 ZINC000409252694 570186180 /nfs/dbraw/zinc/18/61/80/570186180.db2.gz DKWCSAPVTOMQTF-UHFFFAOYSA-N -1 1 482.561 6.324 40 0 JKABMM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408529573 570187250 /nfs/dbraw/zinc/18/72/50/570187250.db2.gz ILKAMUZDBNOKHD-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2C)c1 ZINC000408546110 570193284 /nfs/dbraw/zinc/19/32/84/570193284.db2.gz CHVNUAUNIFRXIX-UHFFFAOYSA-N -1 1 476.642 5.508 40 0 JKABMM Cc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408546431 570193421 /nfs/dbraw/zinc/19/34/21/570193421.db2.gz SNNVFROFQFOSKL-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)c1 ZINC000408547262 570193656 /nfs/dbraw/zinc/19/36/56/570193656.db2.gz XWKLEQQQBMBWCJ-UHFFFAOYSA-N -1 1 496.938 6.337 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Sc3ccccc3)ccc2C)cc1 ZINC000408546918 570193673 /nfs/dbraw/zinc/19/36/73/570193673.db2.gz WWCSIQRXTSOEEC-UHFFFAOYSA-N -1 1 488.634 6.508 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2C)c(C)c1 ZINC000408547708 570193960 /nfs/dbraw/zinc/19/39/60/570193960.db2.gz LQHIFZXPDLYIMB-UHFFFAOYSA-N -1 1 487.419 5.736 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1I ZINC000408548518 570194265 /nfs/dbraw/zinc/19/42/65/570194265.db2.gz SYEFPKPOAQIALL-UHFFFAOYSA-N -1 1 497.379 5.252 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)cc1 ZINC000408548752 570194376 /nfs/dbraw/zinc/19/43/76/570194376.db2.gz UMVZTYCBQAMWMX-UHFFFAOYSA-N -1 1 492.984 6.494 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccccc1 ZINC000408550013 570194817 /nfs/dbraw/zinc/19/48/17/570194817.db2.gz APTGZQYASRYUHK-UHFFFAOYSA-N -1 1 451.331 5.055 40 0 JKABMM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000408552246 570195373 /nfs/dbraw/zinc/19/53/73/570195373.db2.gz KIEKECBIPDVUDA-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408554568 570196311 /nfs/dbraw/zinc/19/63/11/570196311.db2.gz CFEOUGIEOVOAGK-UHFFFAOYSA-N -1 1 465.358 5.445 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408556026 570197189 /nfs/dbraw/zinc/19/71/89/570197189.db2.gz BWMCZLMEERHVHL-UHFFFAOYSA-N -1 1 498.910 5.811 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557693 570198488 /nfs/dbraw/zinc/19/84/88/570198488.db2.gz HJIFTFXQDQNCOZ-UHFFFAOYSA-N -1 1 469.321 5.194 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558179 570198843 /nfs/dbraw/zinc/19/88/43/570198843.db2.gz IRIPAMFMTIQIMB-UHFFFAOYSA-N -1 1 477.007 5.514 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccccc1F ZINC000408558415 570198999 /nfs/dbraw/zinc/19/89/99/570198999.db2.gz RLCUIKCEIAPQCH-UHFFFAOYSA-N -1 1 483.348 5.584 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)c1ccccc1F ZINC000408558620 570199061 /nfs/dbraw/zinc/19/90/61/570199061.db2.gz SFVSROOEEJVVHY-UHFFFAOYSA-N -1 1 493.354 5.040 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1NC(=O)c1ccccc1F ZINC000408558793 570199349 /nfs/dbraw/zinc/19/93/49/570199349.db2.gz TYPSQAASEGKZKN-UHFFFAOYSA-N -1 1 493.354 5.040 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559202 570199500 /nfs/dbraw/zinc/19/95/00/570199500.db2.gz WBSZNBRSRLAECM-UHFFFAOYSA-N -1 1 462.980 5.124 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559151 570199525 /nfs/dbraw/zinc/19/95/25/570199525.db2.gz LMXCEHCFLFHGSO-UHFFFAOYSA-N -1 1 498.910 5.811 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1NC(=O)c1ccccc1F ZINC000408559376 570199684 /nfs/dbraw/zinc/19/96/84/570199684.db2.gz WSGDAHKQNMFKEC-UHFFFAOYSA-N -1 1 462.930 5.239 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559445 570199821 /nfs/dbraw/zinc/19/98/21/570199821.db2.gz XDILDBWVOGSLQQ-UHFFFAOYSA-N -1 1 479.385 5.754 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 ZINC000408560491 570200468 /nfs/dbraw/zinc/20/04/68/570200468.db2.gz PGVLCUPFIZBOQG-UHFFFAOYSA-N -1 1 464.465 5.157 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(F)cc1F ZINC000408562219 570201576 /nfs/dbraw/zinc/20/15/76/570201576.db2.gz YFSCMZVOMXIHLI-UHFFFAOYSA-N -1 1 487.311 5.090 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408562418 570201753 /nfs/dbraw/zinc/20/17/53/570201753.db2.gz ZUEGBHZTAOIMFN-UHFFFAOYSA-N -1 1 477.007 5.514 40 0 JKABMM CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000408582148 570206892 /nfs/dbraw/zinc/20/68/92/570206892.db2.gz BPVYSGZWXCYDGG-UHFFFAOYSA-N -1 1 494.613 5.324 40 0 JKABMM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C(=O)NC1CCCCC1 ZINC000408586235 570208062 /nfs/dbraw/zinc/20/80/62/570208062.db2.gz ATZUSDWMVCNHNJ-CQSZACIVSA-N -1 1 471.406 5.010 40 0 JKABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)c2ccccc2n3CC)ccc1OCC ZINC000408586622 570208203 /nfs/dbraw/zinc/20/82/03/570208203.db2.gz PHLHCRSDUWWMAU-UHFFFAOYSA-N -1 1 481.574 5.582 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccccc1 ZINC000408586870 570208267 /nfs/dbraw/zinc/20/82/67/570208267.db2.gz COZMADORLIRCHO-UHFFFAOYSA-N -1 1 484.883 5.177 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1cccc2ccccc21 ZINC000408588543 570208552 /nfs/dbraw/zinc/20/85/52/570208552.db2.gz GQCIRKDLVCRXJG-UHFFFAOYSA-N -1 1 466.946 5.312 40 0 JKABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1Cl ZINC000408590703 570209070 /nfs/dbraw/zinc/20/90/70/570209070.db2.gz KLMYJKNRMWGVBK-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)NCC(C)C)c3)ccc21 ZINC000408591567 570209260 /nfs/dbraw/zinc/20/92/60/570209260.db2.gz JPEMWFUIPRKXLJ-UHFFFAOYSA-N -1 1 463.603 5.309 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000000955983 193992028 /nfs/dbraw/zinc/99/20/28/193992028.db2.gz LCFQAVXMORLZAL-LQWHRVPQSA-N -1 1 499.272 5.357 40 0 JKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)ccc32)cc1 ZINC000020766061 195221263 /nfs/dbraw/zinc/22/12/63/195221263.db2.gz GDKPWOOFBSGDOZ-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)ccc32)cc1 ZINC000020766065 195221282 /nfs/dbraw/zinc/22/12/82/195221282.db2.gz JZYAAHSUAFFVEH-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccc(Cl)c(Cl)c4)ccc32)cc1 ZINC000020766077 195221415 /nfs/dbraw/zinc/22/14/15/195221415.db2.gz VFXQEWPYWZKYCQ-UHFFFAOYSA-N -1 1 475.397 5.696 40 0 JKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4cccc(Br)c4)ccc32)cc1 ZINC000020766046 195221448 /nfs/dbraw/zinc/22/14/48/195221448.db2.gz UPEMKOGOALXUNN-UHFFFAOYSA-N -1 1 485.403 5.151 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1C ZINC000020766374 195221609 /nfs/dbraw/zinc/22/16/09/195221609.db2.gz FTVRHGXNEHRDCR-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766443 195221693 /nfs/dbraw/zinc/22/16/93/195221693.db2.gz ZHHGKRAYIUGTQU-UHFFFAOYSA-N -1 1 475.397 5.696 40 0 JKABMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766386 195221784 /nfs/dbraw/zinc/22/17/84/195221784.db2.gz DTBRPUGEYOTFBU-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 ZINC000020767130 195222436 /nfs/dbraw/zinc/22/24/36/195222436.db2.gz XALKKJVUEAOFAN-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767185 195222466 /nfs/dbraw/zinc/22/24/66/195222466.db2.gz MDRJDQUQVAWBHC-UHFFFAOYSA-N -1 1 475.397 5.696 40 0 JKABMM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021305945 195293613 /nfs/dbraw/zinc/29/36/13/195293613.db2.gz MADWLDGGNOCUHI-XCVCLJGOSA-N -1 1 481.788 6.100 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1cccc(Cl)c1 ZINC000059180629 195393530 /nfs/dbraw/zinc/39/35/30/195393530.db2.gz XCSABBVAYODANF-UHFFFAOYSA-N -1 1 470.765 6.092 40 0 JKABMM O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000059180628 195393639 /nfs/dbraw/zinc/39/36/39/195393639.db2.gz MEFZJFPHPATTEO-UHFFFAOYSA-N -1 1 470.765 6.092 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c(C)c1 ZINC000044880176 521514448 /nfs/dbraw/zinc/51/44/48/521514448.db2.gz RTHYMMKWMORGCU-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c(Cl)c1 ZINC000020454765 521515284 /nfs/dbraw/zinc/51/52/84/521515284.db2.gz OKAXSBWHGIGTAB-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CCOC(=O)c1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1C ZINC000020493712 521543674 /nfs/dbraw/zinc/54/36/74/521543674.db2.gz BTMVYLCBLYZEJX-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM COC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)ccc1Cl ZINC000022520528 521891054 /nfs/dbraw/zinc/89/10/54/521891054.db2.gz HNLLJNGZKSPUCV-UHFFFAOYSA-N -1 1 493.368 5.142 40 0 JKABMM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020460651 521924268 /nfs/dbraw/zinc/92/42/68/521924268.db2.gz OWRVKYZMHQRJJO-QGZVFWFLSA-N -1 1 472.994 5.418 40 0 JKABMM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020460650 521924996 /nfs/dbraw/zinc/92/49/96/521924996.db2.gz OWRVKYZMHQRJJO-KRWDZBQOSA-N -1 1 472.994 5.418 40 0 JKABMM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000022515010 521925264 /nfs/dbraw/zinc/92/52/64/521925264.db2.gz AXISMHXUGUFVCG-HNNXBMFYSA-N -1 1 493.412 5.763 40 0 JKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccc(OC)cc1 ZINC000022531015 522536059 /nfs/dbraw/zinc/53/60/59/522536059.db2.gz BQEKWVVLTGCIRQ-QHCPKHFHSA-N -1 1 472.994 5.339 40 0 JKABMM COc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c(OC)cc1Cl ZINC000020494568 522723031 /nfs/dbraw/zinc/72/30/31/522723031.db2.gz STLSFSKJUGWDQA-UHFFFAOYSA-N -1 1 495.384 5.372 40 0 JKABMM CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc(OC)cc1 ZINC000020483657 522778238 /nfs/dbraw/zinc/77/82/38/522778238.db2.gz ZADHBTBVGRNZAZ-HSZRJFAPSA-N -1 1 472.994 5.339 40 0 JKABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000044849704 522873472 /nfs/dbraw/zinc/87/34/72/522873472.db2.gz IZTGHNPSXZUVQX-NRFANRHFSA-N -1 1 462.930 5.076 40 0 JKABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020454791 522874305 /nfs/dbraw/zinc/87/43/05/522874305.db2.gz LLSASZUZENXYME-QHCPKHFHSA-N -1 1 456.539 5.039 40 0 JKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020457008 522878054 /nfs/dbraw/zinc/87/80/54/522878054.db2.gz IUZXSBJVZQBSGP-MHZLTWQESA-N -1 1 488.609 6.054 40 0 JKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020459935 522882983 /nfs/dbraw/zinc/88/29/83/522882983.db2.gz QEPUOKOOSFZQBV-QHCPKHFHSA-N -1 1 487.021 5.862 40 0 JKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000022524837 522883737 /nfs/dbraw/zinc/88/37/37/522883737.db2.gz KFAUHYANTKELIH-QFIPXVFZSA-N -1 1 458.967 5.245 40 0 JKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000044884091 522884461 /nfs/dbraw/zinc/88/44/61/522884461.db2.gz CODXKYLPYRRPPW-NRFANRHFSA-N -1 1 479.385 5.590 40 0 JKABMM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020487783 522889304 /nfs/dbraw/zinc/88/93/04/522889304.db2.gz UPGZDAISSJPHJJ-DEOSSOPVSA-N -1 1 460.555 5.437 40 0 JKABMM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044900297 523037873 /nfs/dbraw/zinc/03/78/73/523037873.db2.gz UQHKNYJXHUXCDA-JOCHJYFZSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000044886063 523046187 /nfs/dbraw/zinc/04/61/87/523046187.db2.gz HLGWHVJAWZWKIY-RUZDIDTESA-N -1 1 495.000 6.090 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044900100 523048995 /nfs/dbraw/zinc/04/89/95/523048995.db2.gz AEDRVYZGGGOJHF-JOCHJYFZSA-N -1 1 458.967 5.245 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020459934 523051455 /nfs/dbraw/zinc/05/14/55/523051455.db2.gz QEPUOKOOSFZQBV-HSZRJFAPSA-N -1 1 487.021 5.862 40 0 JKABMM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000022514831 523052006 /nfs/dbraw/zinc/05/20/06/523052006.db2.gz JJDQGYBOHMPHSN-HSZRJFAPSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020487592 523060673 /nfs/dbraw/zinc/06/06/73/523060673.db2.gz FMFXGYIJDICBFS-OAQYLSRUSA-N -1 1 493.412 5.899 40 0 JKABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000044886649 523061792 /nfs/dbraw/zinc/06/17/92/523061792.db2.gz LHEUELATCQYLAD-OAQYLSRUSA-N -1 1 458.967 5.245 40 0 JKABMM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000020490605 524095323 /nfs/dbraw/zinc/09/53/23/524095323.db2.gz GRXMXIBXJPAUGY-UHFFFAOYSA-N -1 1 463.386 5.592 40 0 JKABMM COc1ccc(Cl)cc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000022514150 524240346 /nfs/dbraw/zinc/24/03/46/524240346.db2.gz RYPSKZZMIQWBKX-UHFFFAOYSA-N -1 1 451.331 5.055 40 0 JKABMM Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1C ZINC000022537498 524329537 /nfs/dbraw/zinc/32/95/37/524329537.db2.gz DPLQXAQHYAGUDK-LJQANCHMSA-N -1 1 487.021 5.322 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)cc2)c1 ZINC000020460649 524692685 /nfs/dbraw/zinc/69/26/85/524692685.db2.gz UNFWREDHDQGCTH-UHFFFAOYSA-N -1 1 497.620 5.611 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)cc2)c1 ZINC000044885299 524693746 /nfs/dbraw/zinc/69/37/46/524693746.db2.gz FEKREYYKIUZCMS-HXUWFJFHSA-N -1 1 452.576 5.127 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000020456803 524757600 /nfs/dbraw/zinc/75/76/00/524757600.db2.gz CQTIITVSHSFXGV-KRWDZBQOSA-N -1 1 458.967 5.164 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1C ZINC000044849764 524773094 /nfs/dbraw/zinc/77/30/94/524773094.db2.gz YOGBIRGTPJJRAI-FQEVSTJZSA-N -1 1 474.582 5.663 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1F ZINC000044840601 525086405 /nfs/dbraw/zinc/08/64/05/525086405.db2.gz FLOJWENOKMPOGL-UHFFFAOYSA-N -1 1 456.539 5.185 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC ZINC000020459489 525087281 /nfs/dbraw/zinc/08/72/81/525087281.db2.gz HCAQEXNTUAWARP-UHFFFAOYSA-N -1 1 468.575 5.054 40 0 JKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000020481913 525102908 /nfs/dbraw/zinc/10/29/08/525102908.db2.gz JBKFGBDSJWUPLW-UHFFFAOYSA-N -1 1 477.007 5.189 40 0 JKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000020489901 525109361 /nfs/dbraw/zinc/10/93/61/525109361.db2.gz MNMFNUXWKMODJF-INIZCTEOSA-N -1 1 491.034 5.577 40 0 JKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000038756785 525109852 /nfs/dbraw/zinc/10/98/52/525109852.db2.gz DZKHAWFENQTAKI-HNNXBMFYSA-N -1 1 477.007 5.269 40 0 JKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000020488964 525113174 /nfs/dbraw/zinc/11/31/74/525113174.db2.gz FGLNXXFOUUSJMD-GOSISDBHSA-N -1 1 492.622 5.769 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000022510964 525272721 /nfs/dbraw/zinc/27/27/21/525272721.db2.gz ZATRBOLLZONEPB-UHFFFAOYSA-N -1 1 497.620 5.611 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2C)c(C)c1 ZINC000020489176 525295205 /nfs/dbraw/zinc/29/52/05/525295205.db2.gz MQQCSUNIVNLODD-LJAQVGFWSA-N -1 1 498.648 6.240 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)cc1Cl ZINC000020492859 525300965 /nfs/dbraw/zinc/30/09/65/525300965.db2.gz LWQSTZFZGMOEND-GOSISDBHSA-N -1 1 487.021 5.979 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)cc1Cl ZINC000020492858 525301860 /nfs/dbraw/zinc/30/18/60/525301860.db2.gz LWQSTZFZGMOEND-SFHVURJKSA-N -1 1 487.021 5.979 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000044885721 525347963 /nfs/dbraw/zinc/34/79/63/525347963.db2.gz SSCOUBLAFINBKH-VWLOTQADSA-N -1 1 466.603 5.322 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000044900253 525348955 /nfs/dbraw/zinc/34/89/55/525348955.db2.gz TVXOIJLYHYOXHY-SANMLTNESA-N -1 1 494.657 5.938 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000020481046 525350140 /nfs/dbraw/zinc/35/01/40/525350140.db2.gz CUJPDCMQKUGFQC-DEOSSOPVSA-N -1 1 466.603 5.322 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)cc2C)cc1 ZINC000044849932 525600117 /nfs/dbraw/zinc/60/01/17/525600117.db2.gz QSMDUQDGFWYNSN-MUUNZHRXSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3C(C)C)c(Cl)c2)cc1 ZINC000020462731 525601631 /nfs/dbraw/zinc/60/16/31/525601631.db2.gz GDRQRLHDLWJRRA-UHFFFAOYSA-N -1 1 456.995 6.133 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(Br)c(C)c3)c2)cc1 ZINC000020489881 525602014 /nfs/dbraw/zinc/60/20/14/525602014.db2.gz JMEKIUFZXDPWJM-UHFFFAOYSA-N -1 1 493.810 5.772 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000020495383 525602212 /nfs/dbraw/zinc/60/22/12/525602212.db2.gz ODBCOIYIYCZWHU-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H](C)c3cc(C)ccc3C)c2)cc1 ZINC000020494263 525602263 /nfs/dbraw/zinc/60/22/63/525602263.db2.gz LZHSDFPWUXSMTR-SFHVURJKSA-N -1 1 456.995 5.557 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000044885407 525603148 /nfs/dbraw/zinc/60/31/48/525603148.db2.gz GAIYHGCZSYADFM-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 ZINC000044945898 525603494 /nfs/dbraw/zinc/60/34/94/525603494.db2.gz ALQZGZDOGVIHAD-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000044946827 525604348 /nfs/dbraw/zinc/60/43/48/525604348.db2.gz JHDWWBVXOKPMTK-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3Cl)c(Cl)c2)cc1 ZINC000020494480 525604481 /nfs/dbraw/zinc/60/44/81/525604481.db2.gz FLIZECWKHMWUCQ-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1 ZINC000044903802 525606324 /nfs/dbraw/zinc/60/63/24/525606324.db2.gz RMTVQRGVDYWWEO-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc2)cc1 ZINC000044900351 525773179 /nfs/dbraw/zinc/77/31/79/525773179.db2.gz FORVETZPFZVLIK-SANMLTNESA-N -1 1 456.567 5.315 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c2ccccc2)cc1 ZINC000044899712 525773288 /nfs/dbraw/zinc/77/32/88/525773288.db2.gz MYSAHTAVZXZKIR-NDEPHWFRSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000020458447 525778138 /nfs/dbraw/zinc/77/81/38/525778138.db2.gz CQNKKBXDJVZUGS-OAHLLOKOSA-N -1 1 479.385 5.509 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c2ccccc2)cc1 ZINC000044880327 525967352 /nfs/dbraw/zinc/96/73/52/525967352.db2.gz YKJHAQBJLBUTKF-AREMUKBSSA-N -1 1 491.012 5.969 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c2ccccc2)cc1 ZINC000044904556 525967600 /nfs/dbraw/zinc/96/76/00/525967600.db2.gz MMOFXHSFESEITN-GDLZYMKVSA-N -1 1 498.648 6.240 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c2ccccc2)cc1 ZINC000022515072 525968651 /nfs/dbraw/zinc/96/86/51/525968651.db2.gz RZLPBVNVHUKEPJ-GDLZYMKVSA-N -1 1 498.648 6.240 40 0 JKABMM O=C([O-])c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000016450004 526367940 /nfs/dbraw/zinc/36/79/40/526367940.db2.gz PJQYNVNXDPEAHU-UHFFFAOYSA-N -1 1 460.755 5.670 40 0 JKABMM O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000044885718 527023383 /nfs/dbraw/zinc/02/33/83/527023383.db2.gz HLXXLODXONKXOC-UHFFFAOYSA-N -1 1 481.426 5.666 40 0 JKABMM O=C(NC(c1ccccc1)c1ccccc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020484440 527466401 /nfs/dbraw/zinc/46/64/01/527466401.db2.gz VGFVLSZDFHUHOT-UHFFFAOYSA-N -1 1 476.985 5.660 40 0 JKABMM O=C1N[C@@H](c2cccc(Oc3ccccc3)c2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000000955961 553883781 /nfs/dbraw/zinc/88/37/81/553883781.db2.gz RHFMOOIGEUEFAI-QTEQDKRBSA-N -1 1 490.865 5.236 40 0 JKABMM CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3[O-])nc2c1 ZINC000001846299 553995133 /nfs/dbraw/zinc/99/51/33/553995133.db2.gz AJASFKIZIRNEMX-MRXNPFEDSA-N -1 1 473.598 6.458 40 0 JKABMM CN(C(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000003067717 554425529 /nfs/dbraw/zinc/42/55/29/554425529.db2.gz SHHXPBBNCPATKH-YPMHNXCESA-N -1 1 464.233 5.553 40 0 JKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810065 554689139 /nfs/dbraw/zinc/68/91/39/554689139.db2.gz BFPXRVHGHRAUEV-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1F)c1ccc(Cl)cc1 ZINC000008810078 554689189 /nfs/dbraw/zinc/68/91/89/554689189.db2.gz RHXRNWNKMSHUMO-UHFFFAOYSA-N -1 1 457.285 5.325 40 0 JKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810142 554689404 /nfs/dbraw/zinc/68/94/04/554689404.db2.gz IBUYQCPWUMVCGM-UHFFFAOYSA-N -1 1 460.958 5.657 40 0 JKABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1 ZINC000008810138 554689455 /nfs/dbraw/zinc/68/94/55/554689455.db2.gz DCYVTFDYEAGXCN-UHFFFAOYSA-N -1 1 460.958 5.875 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810223 554689594 /nfs/dbraw/zinc/68/95/94/554689594.db2.gz CNYVQBMKKGUPHG-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1F)c1cccc(Cl)c1 ZINC000008810213 554689611 /nfs/dbraw/zinc/68/96/11/554689611.db2.gz RXKDSDBWKXDEFG-UHFFFAOYSA-N -1 1 454.910 5.685 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1F)c1cccc(Cl)c1 ZINC000008810231 554689668 /nfs/dbraw/zinc/68/96/68/554689668.db2.gz RESKWUWKIHKVIU-UHFFFAOYSA-N -1 1 473.740 5.839 40 0 JKABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1OC ZINC000008810559 554690753 /nfs/dbraw/zinc/69/07/53/554690753.db2.gz BVEXOCGTNHXTHC-UHFFFAOYSA-N -1 1 499.347 5.203 40 0 JKABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000008810526 554690765 /nfs/dbraw/zinc/69/07/65/554690765.db2.gz AKJZRIPKXNDDRN-UHFFFAOYSA-N -1 1 467.349 5.748 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1 ZINC000008810525 554690771 /nfs/dbraw/zinc/69/07/71/554690771.db2.gz HHEQOBYUKGKKFT-UHFFFAOYSA-N -1 1 467.349 5.802 40 0 JKABMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c(C)c1 ZINC000008810598 554690925 /nfs/dbraw/zinc/69/09/25/554690925.db2.gz XRBHMCLESCOXPQ-UHFFFAOYSA-N -1 1 481.376 6.111 40 0 JKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000008810599 554690936 /nfs/dbraw/zinc/69/09/36/554690936.db2.gz FKSURXAZNURFJV-UHFFFAOYSA-N -1 1 495.403 6.310 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1F)c1ccccc1F ZINC000008810690 554691251 /nfs/dbraw/zinc/69/12/51/554691251.db2.gz YFIBNNOSHJKTDG-UHFFFAOYSA-N -1 1 456.392 5.037 40 0 JKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)cc3[O-])nc2c1 ZINC000008832859 554728576 /nfs/dbraw/zinc/72/85/76/554728576.db2.gz GGTQUEGZJHDMLO-UHFFFAOYSA-N -1 1 489.553 5.222 40 0 JKABMM COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c([O-])c1 ZINC000008833065 554729578 /nfs/dbraw/zinc/72/95/78/554729578.db2.gz JUFQLWVXHODTMP-UHFFFAOYSA-N -1 1 475.570 5.768 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)cc3[O-])nc2c1 ZINC000008833348 554730829 /nfs/dbraw/zinc/73/08/29/554730829.db2.gz NDQGYWBQPYJPBK-UHFFFAOYSA-N -1 1 481.961 5.552 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)cc3[O-])oc2c1 ZINC000008833324 554730873 /nfs/dbraw/zinc/73/08/73/554730873.db2.gz HPXAKNRRKXWEQW-UHFFFAOYSA-N -1 1 475.570 5.670 40 0 JKABMM CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)c([O-])c2)cc1 ZINC000009064778 554883517 /nfs/dbraw/zinc/88/35/17/554883517.db2.gz ANBFYQGEEXEISL-UHFFFAOYSA-N -1 1 459.571 6.013 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)cc3[O-])oc2c1 ZINC000009064859 554884006 /nfs/dbraw/zinc/88/40/06/554884006.db2.gz CFQGEJMTEFQMMV-UHFFFAOYSA-N -1 1 459.571 5.933 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3[O-])oc2c(C)c1 ZINC000009064866 554884014 /nfs/dbraw/zinc/88/40/14/554884014.db2.gz PGPZUGUFXLDYDX-UHFFFAOYSA-N -1 1 451.935 5.597 40 0 JKABMM COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1 ZINC000009064863 554884121 /nfs/dbraw/zinc/88/41/21/554884121.db2.gz GVTXYFXIEOGJEU-WUXMJOGZSA-N -1 1 459.527 5.044 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3[O-])nc2c1 ZINC000009064876 554884188 /nfs/dbraw/zinc/88/41/88/554884188.db2.gz ROWRRVDAFHABKQ-UHFFFAOYSA-N -1 1 451.935 5.543 40 0 JKABMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1Cl ZINC000009075303 554886460 /nfs/dbraw/zinc/88/64/60/554886460.db2.gz KGDAWQUMZNCGLS-CYXNTTPDSA-N -1 1 468.940 5.853 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000009235024 555008788 /nfs/dbraw/zinc/00/87/88/555008788.db2.gz LCFQAVXMORLZAL-LVCYWYKZSA-N -1 1 499.272 5.357 40 0 JKABMM O=C(Cc1ccc(Cl)cc1)Sc1nc2c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000013601481 555530048 /nfs/dbraw/zinc/53/00/48/555530048.db2.gz POBDTPKUVCLCDF-UHFFFAOYSA-N -1 1 450.991 5.710 40 0 JKABMM CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000013632489 555542190 /nfs/dbraw/zinc/54/21/90/555542190.db2.gz LBEJZEBXLFYPAV-UHFFFAOYSA-N -1 1 480.630 5.174 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000019931687 555549108 /nfs/dbraw/zinc/54/91/08/555549108.db2.gz KBDGZWUSQSEHIB-RUZDIDTESA-N -1 1 466.603 5.322 40 0 JKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000019931649 555549178 /nfs/dbraw/zinc/54/91/78/555549178.db2.gz POYULPDQGGFXOQ-HHHXNRCGSA-N -1 1 488.609 6.054 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000019933469 555550619 /nfs/dbraw/zinc/55/06/19/555550619.db2.gz PNSUOYADVDCDEQ-UHFFFAOYSA-N -1 1 459.011 5.148 40 0 JKABMM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000019933694 555550924 /nfs/dbraw/zinc/55/09/24/555550924.db2.gz LFLICCJNIMYYEF-HSZRJFAPSA-N -1 1 487.021 5.862 40 0 JKABMM Cc1ccccc1[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000019934035 555551231 /nfs/dbraw/zinc/55/12/31/555551231.db2.gz OKHGZVPNONHIGJ-AREMUKBSSA-N -1 1 491.012 5.969 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000019934204 555551261 /nfs/dbraw/zinc/55/12/61/555551261.db2.gz OFQYWMNJGDMJSZ-UHFFFAOYSA-N -1 1 478.998 5.460 40 0 JKABMM Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000013669863 555560198 /nfs/dbraw/zinc/56/01/98/555560198.db2.gz CCHIUODUHIONQY-IBGZPJMESA-N -1 1 450.604 5.584 40 0 JKABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000013670632 555561387 /nfs/dbraw/zinc/56/13/87/555561387.db2.gz GNAPBKVKKKTLPL-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000013675279 555566372 /nfs/dbraw/zinc/56/63/72/555566372.db2.gz YNPSZZNFBGRHSR-OAQYLSRUSA-N -1 1 478.658 6.201 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000013675281 555566412 /nfs/dbraw/zinc/56/64/12/555566412.db2.gz YNPSZZNFBGRHSR-NRFANRHFSA-N -1 1 478.658 6.201 40 0 JKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(=O)(=O)c3ccccc3)c(C)c1)CCCC2 ZINC000013680824 555573525 /nfs/dbraw/zinc/57/35/25/555573525.db2.gz MSXIBPQEWAFLON-UHFFFAOYSA-N -1 1 498.626 5.165 40 0 JKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c3ccccc3)c1)CCCC2 ZINC000013681282 555574109 /nfs/dbraw/zinc/57/41/09/555574109.db2.gz VSTMCTMMHNBBJV-UHFFFAOYSA-N -1 1 498.626 5.165 40 0 JKABMM CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3[O-])nc2c1 ZINC000010003848 555590887 /nfs/dbraw/zinc/59/08/87/555590887.db2.gz YRJCCQKNBRZAJC-CQSZACIVSA-N -1 1 489.553 5.569 40 0 JKABMM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1 ZINC000020023103 555600895 /nfs/dbraw/zinc/60/08/95/555600895.db2.gz SKLJEKVGQJKPMV-MRXNPFEDSA-N -1 1 491.034 5.119 40 0 JKABMM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)c1ccc(Cl)cc1 ZINC000020023075 555600951 /nfs/dbraw/zinc/60/09/51/555600951.db2.gz XUXBVLUTTJDYML-HNNXBMFYSA-N -1 1 479.385 5.050 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cc(F)ccc1F ZINC000020023360 555601169 /nfs/dbraw/zinc/60/11/69/555601169.db2.gz IBIPYNQLFYJNGK-UHFFFAOYSA-N -1 1 487.311 5.090 40 0 JKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000010039261 555604324 /nfs/dbraw/zinc/60/43/24/555604324.db2.gz HVLGLDLPDPDSKA-NYYWCZLTSA-N -1 1 477.369 5.455 40 0 JKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000010039352 555604628 /nfs/dbraw/zinc/60/46/28/555604628.db2.gz GUCBZCCWVJASNA-MKMNVTDBSA-N -1 1 456.951 5.110 40 0 JKABMM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000010039343 555604782 /nfs/dbraw/zinc/60/47/82/555604782.db2.gz PKTPBGMPGJJMKZ-UHFFFAOYSA-N -1 1 484.883 5.421 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc2)cc1 ZINC000020037246 555611491 /nfs/dbraw/zinc/61/14/91/555611491.db2.gz PNJCZHAVMUWRTM-HHHXNRCGSA-N -1 1 470.594 5.624 40 0 JKABMM O=C(Nc1cccc(Br)c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020038445 555612508 /nfs/dbraw/zinc/61/25/08/555612508.db2.gz GJJOSCWRMWDSKY-UHFFFAOYSA-N -1 1 465.756 5.156 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2C)c1C ZINC000020039278 555612743 /nfs/dbraw/zinc/61/27/43/555612743.db2.gz RHKIHFUBMNFFRD-UHFFFAOYSA-N -1 1 456.995 5.338 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)c1 ZINC000020040678 555613384 /nfs/dbraw/zinc/61/33/84/555613384.db2.gz SFAUSHKZYGYAND-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM CCOc1ccccc1CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020040263 555613394 /nfs/dbraw/zinc/61/33/94/555613394.db2.gz RDWUXUWKJSIVTR-UHFFFAOYSA-N -1 1 487.021 5.211 40 0 JKABMM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013770682 555614843 /nfs/dbraw/zinc/61/48/43/555614843.db2.gz RWOJXXMELXBCQV-PVHODMMVSA-N -1 1 486.568 5.234 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000020043402 555614982 /nfs/dbraw/zinc/61/49/82/555614982.db2.gz OXCUBMRINGHDED-XMMPIXPASA-N -1 1 452.576 5.013 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000020043405 555615025 /nfs/dbraw/zinc/61/50/25/555615025.db2.gz OXCUBMRINGHDED-DEOSSOPVSA-N -1 1 452.576 5.013 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1Cl ZINC000020046095 555616944 /nfs/dbraw/zinc/61/69/44/555616944.db2.gz VAGFAECURNVPHT-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c2ccccc2)cc1 ZINC000020047227 555617527 /nfs/dbraw/zinc/61/75/27/555617527.db2.gz KBHHIWMBFRHMEW-MHZLTWQESA-N -1 1 470.594 5.624 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1Cl ZINC000020049135 555618822 /nfs/dbraw/zinc/61/88/22/555618822.db2.gz XLOFRFCHTRXMCL-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2)cc1 ZINC000020049956 555619303 /nfs/dbraw/zinc/61/93/03/555619303.db2.gz VCINLBASVGEBOX-UHFFFAOYSA-N -1 1 498.048 5.028 40 0 JKABMM Cc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1 ZINC000010110758 555620776 /nfs/dbraw/zinc/62/07/76/555620776.db2.gz LIWOPDOADITZKH-UHFFFAOYSA-N -1 1 450.604 5.084 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000010111978 555623835 /nfs/dbraw/zinc/62/38/35/555623835.db2.gz AIEZBWNLAPWAGL-LJQANCHMSA-N -1 1 450.604 5.584 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)cc1C ZINC000010112005 555624153 /nfs/dbraw/zinc/62/41/53/555624153.db2.gz HZRWZTSAVRODGQ-NRFANRHFSA-N -1 1 478.658 6.201 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc2C)cc1 ZINC000010112031 555624213 /nfs/dbraw/zinc/62/42/13/555624213.db2.gz QQONAGHOLDYYBN-FQEVSTJZSA-N -1 1 464.631 5.893 40 0 JKABMM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1OCC ZINC000010112639 555626048 /nfs/dbraw/zinc/62/60/48/555626048.db2.gz UPYPICGDXIGBJK-IBGZPJMESA-N -1 1 482.602 5.084 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020108169 555642856 /nfs/dbraw/zinc/64/28/56/555642856.db2.gz RNLUMCRKBGSKLO-HSZRJFAPSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccc(OC)cc1 ZINC000020108876 555644217 /nfs/dbraw/zinc/64/42/17/555644217.db2.gz WEMBMFXFJZBHRO-HSZRJFAPSA-N -1 1 466.603 5.302 40 0 JKABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000020110287 555646299 /nfs/dbraw/zinc/64/62/99/555646299.db2.gz GIEQMPNNRBMEMJ-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020110948 555647524 /nfs/dbraw/zinc/64/75/24/555647524.db2.gz WRTSOHAOBRDPLH-QHCPKHFHSA-N -1 1 472.994 5.554 40 0 JKABMM CC(C)c1ccc(CCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000020111260 555647869 /nfs/dbraw/zinc/64/78/69/555647869.db2.gz YRHYVYXDIYWWGR-UHFFFAOYSA-N -1 1 456.995 5.237 40 0 JKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000020111727 555648987 /nfs/dbraw/zinc/64/89/87/555648987.db2.gz VKKOTDJBSAEAHL-SANMLTNESA-N -1 1 474.582 5.745 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000010314379 555679753 /nfs/dbraw/zinc/67/97/53/555679753.db2.gz JGMYPIWMCGAOTH-UHFFFAOYSA-N -1 1 456.567 5.315 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2C)cc1 ZINC000010314300 555679778 /nfs/dbraw/zinc/67/97/78/555679778.db2.gz XYXPEMDYRWWYEG-UHFFFAOYSA-N -1 1 473.392 5.427 40 0 JKABMM Cc1cc(C(=O)NCCSCc2cccc(Cl)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314375 555679788 /nfs/dbraw/zinc/67/97/88/555679788.db2.gz SQLWLYWPTPJULU-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314410 555679852 /nfs/dbraw/zinc/67/98/52/555679852.db2.gz HISYVVANBWOVFL-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1cc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314454 555680185 /nfs/dbraw/zinc/68/01/85/555680185.db2.gz ZWJVIHPHQDBZRN-UHFFFAOYSA-N -1 1 491.613 5.111 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000010314678 555680616 /nfs/dbraw/zinc/68/06/16/555680616.db2.gz JSTWDQJXEMRQMG-UHFFFAOYSA-N -1 1 492.984 6.494 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3c(F)cccc3Cl)c2)cc1 ZINC000010314888 555680786 /nfs/dbraw/zinc/68/07/86/555680786.db2.gz AUVHUHGHLKLEJK-UHFFFAOYSA-N -1 1 493.025 5.252 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)ccc2C)cc1 ZINC000010315009 555681223 /nfs/dbraw/zinc/68/12/23/555681223.db2.gz NVYYAOJBKHTUPM-UHFFFAOYSA-N -1 1 483.804 6.317 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2C)cc1 ZINC000010314938 555681315 /nfs/dbraw/zinc/68/13/15/555681315.db2.gz JTKAFSZCEABTOW-UHFFFAOYSA-N -1 1 493.810 5.772 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)c2)cc1 ZINC000010314933 555681329 /nfs/dbraw/zinc/68/13/29/555681329.db2.gz AHVWDYPCTFGZOX-UHFFFAOYSA-N -1 1 488.634 6.340 40 0 JKABMM O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314964 555681360 /nfs/dbraw/zinc/68/13/60/555681360.db2.gz VGOHTDZNKMPGFP-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c2)cc1 ZINC000010327841 555686294 /nfs/dbraw/zinc/68/62/94/555686294.db2.gz OVVXIQUWPPKXPX-UHFFFAOYSA-N -1 1 492.984 6.494 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccccc3Cl)c2C)cc1 ZINC000010328173 555686556 /nfs/dbraw/zinc/68/65/56/555686556.db2.gz AICDUPTWDRBAPD-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010330397 555687438 /nfs/dbraw/zinc/68/74/38/555687438.db2.gz DLKBBAZEQQWQPC-UHFFFAOYSA-N -1 1 474.607 6.199 40 0 JKABMM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000010330219 555687501 /nfs/dbraw/zinc/68/75/01/555687501.db2.gz TVKYITQBIKPKFW-UHFFFAOYSA-N -1 1 479.783 5.085 40 0 JKABMM CCCCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010331120 555687721 /nfs/dbraw/zinc/68/77/21/555687721.db2.gz WAKMDVHSNBOJBS-UHFFFAOYSA-N -1 1 466.559 5.005 40 0 JKABMM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000010332041 555688353 /nfs/dbraw/zinc/68/83/53/555688353.db2.gz LFNARYKHVJJWFP-UHFFFAOYSA-N -1 1 450.947 5.475 40 0 JKABMM O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010332561 555688613 /nfs/dbraw/zinc/68/86/13/555688613.db2.gz OZNCJMGYMHULQD-UHFFFAOYSA-N -1 1 495.453 5.457 40 0 JKABMM Cc1ccc(CSCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010333119 555688902 /nfs/dbraw/zinc/68/89/02/555688902.db2.gz BHKKGLQYDPHZEE-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3cccc(Cl)c3)c2C)cc1 ZINC000010333434 555689109 /nfs/dbraw/zinc/68/91/09/555689109.db2.gz UMIRQYRUJLMHTG-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000010334603 555689826 /nfs/dbraw/zinc/68/98/26/555689826.db2.gz BCYHRKWGMZXWKM-UHFFFAOYSA-N -1 1 496.938 6.039 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1SCc1ccccc1 ZINC000010336384 555691310 /nfs/dbraw/zinc/69/13/10/555691310.db2.gz OPBMJQZJYVKMHG-UHFFFAOYSA-N -1 1 474.607 6.032 40 0 JKABMM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000010357053 555695526 /nfs/dbraw/zinc/69/55/26/555695526.db2.gz ZALRMTBVYYNZLY-UHFFFAOYSA-N -1 1 472.610 6.335 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2C)cc1 ZINC000010360586 555696808 /nfs/dbraw/zinc/69/68/08/555696808.db2.gz NMISSUWLSTVMDD-UHFFFAOYSA-N -1 1 484.621 5.947 40 0 JKABMM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010367083 555698243 /nfs/dbraw/zinc/69/82/43/555698243.db2.gz RJJVLQQNARVCPS-UHFFFAOYSA-N -1 1 458.539 5.840 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccc(Cl)cc3)c2C)cc1 ZINC000010367281 555698594 /nfs/dbraw/zinc/69/85/94/555698594.db2.gz HLPRLACUWNGVDD-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Br)c(Cl)c3)c2)cc1 ZINC000010372471 555700590 /nfs/dbraw/zinc/70/05/90/555700590.db2.gz ZXBGZMDSRPDEQM-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM Cc1cccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000014153374 555709410 /nfs/dbraw/zinc/70/94/10/555709410.db2.gz GPCFQUSIWSKAIJ-UHFFFAOYSA-N -1 1 482.671 5.384 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2C)c1 ZINC000014153534 555709680 /nfs/dbraw/zinc/70/96/80/555709680.db2.gz XROHDUMWOMVQMZ-UHFFFAOYSA-N -1 1 462.615 5.199 40 0 JKABMM O=C(CSCc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000014153653 555709911 /nfs/dbraw/zinc/70/99/11/555709911.db2.gz TXIBLEPOFCGFJT-UHFFFAOYSA-N -1 1 491.432 5.122 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3)ccc2C)c1 ZINC000014154288 555711280 /nfs/dbraw/zinc/71/12/80/555711280.db2.gz RIVQDELBQYMTFS-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000014154256 555711296 /nfs/dbraw/zinc/71/12/96/555711296.db2.gz ZAWUOBFFFRAWCB-UHFFFAOYSA-N -1 1 450.604 5.790 40 0 JKABMM O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000014154467 555711556 /nfs/dbraw/zinc/71/15/56/555711556.db2.gz NXEOYIUWYWFEJQ-UHFFFAOYSA-N -1 1 495.453 5.457 40 0 JKABMM Cc1cccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000014154407 555711641 /nfs/dbraw/zinc/71/16/41/555711641.db2.gz RZSXMUUWQFKLLM-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000014154507 555711889 /nfs/dbraw/zinc/71/18/89/555711889.db2.gz OEIONQPNCXGWQJ-UHFFFAOYSA-N -1 1 495.453 5.457 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3C)ccc2C)cc1 ZINC000014154714 555712245 /nfs/dbraw/zinc/71/22/45/555712245.db2.gz NKTTULCJXAXQBU-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000014154708 555712275 /nfs/dbraw/zinc/71/22/75/555712275.db2.gz VDIYRZSRZVBQTR-FQEVSTJZSA-N -1 1 493.629 5.193 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3F)ccc2C)cc1 ZINC000014154983 555712870 /nfs/dbraw/zinc/71/28/70/555712870.db2.gz HBOUNJYLCWGFQO-UHFFFAOYSA-N -1 1 477.355 5.258 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1Cl ZINC000014155440 555713788 /nfs/dbraw/zinc/71/37/88/555713788.db2.gz FSKZFWYFXDFHRA-UHFFFAOYSA-N -1 1 450.347 5.747 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)COc4ccccc4C)cc3[O-])oc2c(C)c1 ZINC000014270190 555761428 /nfs/dbraw/zinc/76/14/28/555761428.db2.gz WQYZXGQGIHECPX-UHFFFAOYSA-N -1 1 461.543 5.018 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)cc3[O-])oc2c1 ZINC000014270154 555761439 /nfs/dbraw/zinc/76/14/39/555761439.db2.gz BMNGHKKTJKLWQO-UHFFFAOYSA-N -1 1 461.543 5.423 40 0 JKABMM Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)c(Cl)c1 ZINC000014270167 555761501 /nfs/dbraw/zinc/76/15/01/555761501.db2.gz XBDHDDKNZANQNE-UHFFFAOYSA-N -1 1 465.962 5.906 40 0 JKABMM CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1 ZINC000014270146 555761538 /nfs/dbraw/zinc/76/15/38/555761538.db2.gz KXNXOWTVXNCARF-UHFFFAOYSA-N -1 1 461.543 5.424 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)cc3[O-])oc2c1 ZINC000014270163 555761566 /nfs/dbraw/zinc/76/15/66/555761566.db2.gz HNKZGWQFRPNBDY-NTUHNPAUSA-N -1 1 471.582 6.159 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)cc3[O-])oc2c(C)c1 ZINC000014270186 555761612 /nfs/dbraw/zinc/76/16/12/555761612.db2.gz ZWUVWGWESCQRJD-UHFFFAOYSA-N -1 1 465.962 5.526 40 0 JKABMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000014274778 555777904 /nfs/dbraw/zinc/77/79/04/555777904.db2.gz XBWPEDIZTUCCHW-UHFFFAOYSA-N -1 1 497.831 7.037 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4Br)cc3[O-])nc2c1 ZINC000014275068 555779300 /nfs/dbraw/zinc/77/93/00/555779300.db2.gz FGXFCOCNAGAESG-UHFFFAOYSA-N -1 1 496.386 5.652 40 0 JKABMM CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c([O-])c2)cc1 ZINC000014275075 555779309 /nfs/dbraw/zinc/77/93/09/555779309.db2.gz VIBYXMUUAGMTAG-UHFFFAOYSA-N -1 1 475.570 5.678 40 0 JKABMM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000014275059 555779337 /nfs/dbraw/zinc/77/93/37/555779337.db2.gz HBUIYGYIJDPZKA-UHFFFAOYSA-N -1 1 497.576 6.106 40 0 JKABMM O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1cc(Cl)ccc1Cl ZINC000014275093 555779381 /nfs/dbraw/zinc/77/93/81/555779381.db2.gz GFQNJAPXUCIJBL-UHFFFAOYSA-N -1 1 492.771 6.287 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)cc3[O-])nc2c1 ZINC000014275087 555779476 /nfs/dbraw/zinc/77/94/76/555779476.db2.gz WZCPLTJVMLTYLG-WUXMJOGZSA-N -1 1 477.973 5.943 40 0 JKABMM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000014396325 555802163 /nfs/dbraw/zinc/80/21/63/555802163.db2.gz MTIITDQZEBDFRS-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000014396392 555802193 /nfs/dbraw/zinc/80/21/93/555802193.db2.gz IGJRVPFEAQVAPB-UHFFFAOYSA-N -1 1 493.412 5.900 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1Cl ZINC000014396544 555802221 /nfs/dbraw/zinc/80/22/21/555802221.db2.gz MQVXIONMTCFTDP-UHFFFAOYSA-N -1 1 493.412 5.900 40 0 JKABMM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000014397366 555803210 /nfs/dbraw/zinc/80/32/10/555803210.db2.gz KNFLHHYSJFBVDA-HSZRJFAPSA-N -1 1 488.993 5.254 40 0 JKABMM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000014397546 555803296 /nfs/dbraw/zinc/80/32/96/555803296.db2.gz FYFJUNDECQZPSG-GOSISDBHSA-N -1 1 476.554 5.055 40 0 JKABMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000014398068 555803876 /nfs/dbraw/zinc/80/38/76/555803876.db2.gz PEMPOIPWUDGQFW-ZDUSSCGKSA-N -1 1 499.803 5.854 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000014398981 555804553 /nfs/dbraw/zinc/80/45/53/555804553.db2.gz ZIDHQFVKTIEZKW-IBGZPJMESA-N -1 1 466.603 5.499 40 0 JKABMM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1C ZINC000014399102 555804595 /nfs/dbraw/zinc/80/45/95/555804595.db2.gz VXSWMXBOCRLURI-UHFFFAOYSA-N -1 1 458.967 5.084 40 0 JKABMM C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000014399226 555804864 /nfs/dbraw/zinc/80/48/64/555804864.db2.gz FFVMQTRJDLHVSC-CQSZACIVSA-N -1 1 465.358 5.200 40 0 JKABMM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000014401028 555806446 /nfs/dbraw/zinc/80/64/46/555806446.db2.gz MQRYKJSIXZAUSM-UHFFFAOYSA-N -1 1 488.993 5.256 40 0 JKABMM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000014401011 555806517 /nfs/dbraw/zinc/80/65/17/555806517.db2.gz DLXUPUFYFYEQCU-UHFFFAOYSA-N -1 1 479.385 5.592 40 0 JKABMM O=C1Nc2c(cc(Br)cc2Br)/C1=C/c1ccc([O-])c(Br)c1 ZINC000015016463 555857713 /nfs/dbraw/zinc/85/77/13/555857713.db2.gz GBAJTIBALOUXNK-KMKOMSMNSA-N -1 1 473.946 5.172 40 0 JKABMM CCOC(=O)c1c(C)n(-c2cccc(Br)c2)c2cc(Br)c([O-])cc21 ZINC000015021808 555863740 /nfs/dbraw/zinc/86/37/40/555863740.db2.gz VYWRQMIWBPFULO-UHFFFAOYSA-N -1 1 453.130 5.346 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000022109786 555876505 /nfs/dbraw/zinc/87/65/05/555876505.db2.gz MBXAHOCNHNXAPP-UHFFFAOYSA-N -1 1 477.428 5.377 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000022109825 555876544 /nfs/dbraw/zinc/87/65/44/555876544.db2.gz MUKYEVPBUQEXKB-UHFFFAOYSA-N -1 1 495.418 5.516 40 0 JKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022110040 555876890 /nfs/dbraw/zinc/87/68/90/555876890.db2.gz LRNRZFGXYXEJSE-UHFFFAOYSA-N -1 1 473.001 6.737 40 0 JKABMM COc1cccc(CNn2c(=S)[n-]nc2-c2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000022110025 555876897 /nfs/dbraw/zinc/87/68/97/555876897.db2.gz BNRYHBKLCGPKIJ-UHFFFAOYSA-N -1 1 487.412 6.246 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000022109886 555876901 /nfs/dbraw/zinc/87/69/01/555876901.db2.gz XJXXWSUEZKDJON-UHFFFAOYSA-N -1 1 450.967 5.407 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022109895 555876905 /nfs/dbraw/zinc/87/69/05/555876905.db2.gz NOWWWLKZXOQNEY-UHFFFAOYSA-N -1 1 453.395 5.531 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022110202 555877268 /nfs/dbraw/zinc/87/72/68/555877268.db2.gz CATYGEBAONAATO-UHFFFAOYSA-N -1 1 470.957 5.731 40 0 JKABMM CCOc1c(Br)cc(Br)cc1CNn1c(=S)[n-]nc1-c1ccccc1 ZINC000022110331 555877296 /nfs/dbraw/zinc/87/72/96/555877296.db2.gz BHBJYQXQDJHOBU-UHFFFAOYSA-N -1 1 484.217 5.275 40 0 JKABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)ccc1OCc1ccc(Cl)cc1Cl ZINC000022110398 555877302 /nfs/dbraw/zinc/87/73/02/555877302.db2.gz PXSKVYQDBHBHQR-UHFFFAOYSA-N -1 1 453.395 5.531 40 0 JKABMM CCc1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022110415 555877314 /nfs/dbraw/zinc/87/73/14/555877314.db2.gz PJAYEJGNJZTTKN-UHFFFAOYSA-N -1 1 453.793 5.242 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022110568 555877529 /nfs/dbraw/zinc/87/75/29/555877529.db2.gz UFVHQALXYWDDCM-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000022110543 555877565 /nfs/dbraw/zinc/87/75/65/555877565.db2.gz LNNZLIPERIWEIO-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022110595 555877604 /nfs/dbraw/zinc/87/76/04/555877604.db2.gz ILYWNNVOKRICAY-UHFFFAOYSA-N -1 1 482.993 5.601 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccccc1F ZINC000022110733 555877828 /nfs/dbraw/zinc/87/78/28/555877828.db2.gz NTADHZTXFKRCIE-UHFFFAOYSA-N -1 1 466.538 5.087 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1ccccc1Cl ZINC000022110761 555877856 /nfs/dbraw/zinc/87/78/56/555877856.db2.gz IEMYAQPQGYKARW-UHFFFAOYSA-N -1 1 467.982 5.377 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022111090 555878208 /nfs/dbraw/zinc/87/82/08/555878208.db2.gz YENDIJBEYAYWNI-UHFFFAOYSA-N -1 1 470.957 5.731 40 0 JKABMM Fc1ccc(COc2ccc3ccccc3c2CNn2c(=S)[n-]nc2-c2ccncc2)cc1 ZINC000022111111 555878245 /nfs/dbraw/zinc/87/82/45/555878245.db2.gz QBVTXRYQSRLNAG-UHFFFAOYSA-N -1 1 457.534 5.618 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000022111376 555878571 /nfs/dbraw/zinc/87/85/71/555878571.db2.gz AQDDOURAAGKTJF-UHFFFAOYSA-N -1 1 457.353 5.382 40 0 JKABMM Cc1c(Br)cc(C(=O)CSc2ccc(Cl)cc2)c([O-])c1Br ZINC000015229079 555888400 /nfs/dbraw/zinc/88/84/00/555888400.db2.gz PVXXJUJVMKHBNE-UHFFFAOYSA-N -1 1 450.579 5.854 40 0 JKABMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000022522667 555931014 /nfs/dbraw/zinc/93/10/14/555931014.db2.gz AOOWEBIFVDIVJI-KRWDZBQOSA-N -1 1 471.022 5.929 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000015892483 556061138 /nfs/dbraw/zinc/06/11/38/556061138.db2.gz BRMMFWBQXRLVIV-UHFFFAOYSA-N -1 1 495.782 5.164 40 0 JKABMM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000016779597 556159109 /nfs/dbraw/zinc/15/91/09/556159109.db2.gz FGUJAALJXQXOLT-UHFFFAOYSA-N -1 1 450.535 5.698 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000016779642 556159527 /nfs/dbraw/zinc/15/95/27/556159527.db2.gz BCZHKVBRTHOJOP-UHFFFAOYSA-N -1 1 480.561 5.672 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)c(C)c2C ZINC000016779644 556159567 /nfs/dbraw/zinc/15/95/67/556159567.db2.gz VRXNUDZOWBZHQX-UHFFFAOYSA-N -1 1 494.588 5.981 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)N1CCCCC1 ZINC000026116122 556246320 /nfs/dbraw/zinc/24/63/20/556246320.db2.gz IVEQLXVQIVGGBJ-UHFFFAOYSA-N -1 1 492.972 5.508 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118291 556247547 /nfs/dbraw/zinc/24/75/47/556247547.db2.gz PUCDYXLWCITRAY-UHFFFAOYSA-N -1 1 496.654 5.874 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118327 556247593 /nfs/dbraw/zinc/24/75/93/556247593.db2.gz LTQQHPHUWSUCSB-UHFFFAOYSA-N -1 1 472.554 5.100 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C(=O)N1CCC(C)CC1 ZINC000026118607 556247890 /nfs/dbraw/zinc/24/78/90/556247890.db2.gz DIUZKLBBRJNQEH-UHFFFAOYSA-N -1 1 453.029 5.043 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118627 556247974 /nfs/dbraw/zinc/24/79/74/556247974.db2.gz LPWVYISUYRPPGJ-UHFFFAOYSA-N -1 1 453.029 5.043 40 0 JKABMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000026580622 556257558 /nfs/dbraw/zinc/25/75/58/556257558.db2.gz MDSCNWOCJDYGAR-CHHVJCJISA-N -1 1 460.791 6.564 40 0 JKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000026641766 556258474 /nfs/dbraw/zinc/25/84/74/556258474.db2.gz JNDZVQMHWURXJH-APSNUPSMSA-N -1 1 474.818 6.954 40 0 JKABMM Cc1c(NC(=O)c2ccc(Br)cc2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccccc1 ZINC000026786935 556263251 /nfs/dbraw/zinc/26/32/51/556263251.db2.gz AWMXJXGSJAFFMP-UHFFFAOYSA-N -1 1 488.403 5.672 40 0 JKABMM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018067732 556283214 /nfs/dbraw/zinc/28/32/14/556283214.db2.gz MMWXNOTWBPHFDY-PVHODMMVSA-N -1 1 486.568 5.234 40 0 JKABMM O=[P@]([O-])(O)[C@@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000027987239 556310966 /nfs/dbraw/zinc/31/09/66/556310966.db2.gz ZZJOMEARMHMSDN-HSZRJFAPSA-N -1 1 453.866 5.159 40 0 JKABMM CCSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000030752024 556371467 /nfs/dbraw/zinc/37/14/67/556371467.db2.gz KACCKXQXXVHLRJ-UHFFFAOYSA-N -1 1 461.008 5.814 40 0 JKABMM CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc(C)cc1 ZINC000030752441 556371541 /nfs/dbraw/zinc/37/15/41/556371541.db2.gz NVIUFFAYBANPRQ-HSZRJFAPSA-N -1 1 456.995 5.639 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)cc1Cl ZINC000030752039 556371585 /nfs/dbraw/zinc/37/15/85/556371585.db2.gz KNQNWIDBYLXVJX-OAHLLOKOSA-N -1 1 479.385 5.509 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H]3CCCc4ccccc43)c2)cc1 ZINC000030753278 556371808 /nfs/dbraw/zinc/37/18/08/556371808.db2.gz FPQVWQFKLCNBIY-QHCPKHFHSA-N -1 1 454.979 5.257 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H]3CCCc4ccccc43)c2)cc1 ZINC000030753274 556371853 /nfs/dbraw/zinc/37/18/53/556371853.db2.gz FPQVWQFKLCNBIY-HSZRJFAPSA-N -1 1 454.979 5.257 40 0 JKABMM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1OC ZINC000030848291 556376192 /nfs/dbraw/zinc/37/61/92/556376192.db2.gz SWFMLEJCIZAYKE-UHFFFAOYSA-N -1 1 488.993 5.038 40 0 JKABMM O=C(Nc1ccccc1Br)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030855551 556379796 /nfs/dbraw/zinc/37/97/96/556379796.db2.gz PGSZZIQARUXSAD-UHFFFAOYSA-N -1 1 465.756 5.156 40 0 JKABMM O=C(c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000030855789 556379821 /nfs/dbraw/zinc/37/98/21/556379821.db2.gz QGMVQVPRMKYQBF-UHFFFAOYSA-N -1 1 491.012 5.983 40 0 JKABMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000030856461 556380125 /nfs/dbraw/zinc/38/01/25/556380125.db2.gz VHTSHCQQTRIWPS-AWEZNQCLSA-N -1 1 465.358 5.200 40 0 JKABMM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030860080 556381504 /nfs/dbraw/zinc/38/15/04/556381504.db2.gz LHBUXELDYYJUGD-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000030862043 556382140 /nfs/dbraw/zinc/38/21/40/556382140.db2.gz KIIOFLYVLSYNEE-CQSZACIVSA-N -1 1 498.910 5.566 40 0 JKABMM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000030863441 556382525 /nfs/dbraw/zinc/38/25/25/556382525.db2.gz KWFNPTZFWGZWDJ-SFHVURJKSA-N -1 1 476.554 5.055 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c(Cl)c1 ZINC000030864268 556382809 /nfs/dbraw/zinc/38/28/09/556382809.db2.gz AOIPSMQRMOQRAI-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000030868584 556384095 /nfs/dbraw/zinc/38/40/95/556384095.db2.gz AWECYOJFODBCJT-MRXNPFEDSA-N -1 1 458.967 5.109 40 0 JKABMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)c3ccc(F)cc3)s2)cc1 ZINC000032594782 556449483 /nfs/dbraw/zinc/44/94/83/556449483.db2.gz DCLPVNIENUDJJE-ZCYQVOJMSA-N -1 1 487.556 5.256 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCc4ccccc4Cl)o3)cc2)cc1 ZINC000039791376 563136806 /nfs/dbraw/zinc/13/68/06/563136806.db2.gz WMMHPILYPHGNKR-UHFFFAOYSA-N -1 1 471.991 5.792 40 0 aggregator JKABMM CC(C)c1ccc(NC(=O)CSc2nc3ccc([N-]S(=O)(=O)c4ccccc4)cc3s2)cc1 ZINC000059489654 569605722 /nfs/dbraw/zinc/60/57/22/569605722.db2.gz LOHXCUURUHUZEC-UHFFFAOYSA-N -1 1 497.667 5.951 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000033430519 569626275 /nfs/dbraw/zinc/62/62/75/569626275.db2.gz MYIBPJNWVWTUNC-UHFFFAOYSA-N -1 1 486.593 6.159 40 0 JKABMM CCOc1cc(COc2ccccc2C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1 ZINC000033438569 569626374 /nfs/dbraw/zinc/62/63/74/569626374.db2.gz FVRDROILOQEBHD-BUVRLJJBSA-N -1 1 477.607 6.572 40 0 JKABMM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000033490718 569626952 /nfs/dbraw/zinc/62/69/52/569626952.db2.gz ZHHVDJWPOJPRSS-UHFFFAOYSA-N -1 1 493.412 5.683 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C)c(C)c1 ZINC000033595763 569628449 /nfs/dbraw/zinc/62/84/49/569628449.db2.gz OXTZPGBEAVJLCX-UHFFFAOYSA-N -1 1 486.593 6.457 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C)c1 ZINC000033617827 569628899 /nfs/dbraw/zinc/62/88/99/569628899.db2.gz KDDZZCMTDSKTCE-UHFFFAOYSA-N -1 1 486.593 6.457 40 0 JKABMM CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])ccc4C)c3C)C(=O)NC2=S)cc1 ZINC000033774332 569634319 /nfs/dbraw/zinc/63/43/19/569634319.db2.gz KAMFSEREFRKOQS-LPYMAVHISA-N -1 1 487.581 5.335 40 0 JKABMM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000034690525 569645752 /nfs/dbraw/zinc/64/57/52/569645752.db2.gz ZUJVOVKIQODXGJ-UHFFFAOYSA-N -1 1 493.412 5.683 40 0 JKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000035084756 569674458 /nfs/dbraw/zinc/67/44/58/569674458.db2.gz MZCUFYLEDGBCCP-YBEGLDIGSA-N -1 1 493.404 5.194 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2C)c(C)c1 ZINC000035419772 569692224 /nfs/dbraw/zinc/69/22/24/569692224.db2.gz GAEJKSATELKVSO-UHFFFAOYSA-N -1 1 473.392 5.427 40 0 JKABMM COc1ccc(C(=CC(=C2SC(=S)[N-]C2=O)c2ccccc2)CC(=O)c2ccccc2)cc1 ZINC000035586112 569705059 /nfs/dbraw/zinc/70/50/59/569705059.db2.gz RZPXCOHDWBLDFJ-DXWKDWEQSA-N -1 1 471.603 6.751 40 0 JKABMM O=C(N/C=C/c1cc(Cl)cc(Cl)c1)[C@H](c1csc2ccc(Cl)cc21)[P@@](=O)([O-])O ZINC000036377891 569773716 /nfs/dbraw/zinc/77/37/16/569773716.db2.gz AAWWTPVQFZNTEM-IDOMTICXSA-N -1 1 476.705 5.867 40 0 JKABMM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101131243 569784022 /nfs/dbraw/zinc/78/40/22/569784022.db2.gz RWOJXXMELXBCQV-QKDODKLFSA-N -1 1 486.568 5.234 40 0 JKABMM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101137395 569784287 /nfs/dbraw/zinc/78/42/87/569784287.db2.gz WYSNQLAPGDPWBR-QKDODKLFSA-N -1 1 486.568 5.234 40 0 JKABMM O=C(Nc1ccc(Cl)cc1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000038756989 569807432 /nfs/dbraw/zinc/80/74/32/569807432.db2.gz PTKIOFUBRJTKLT-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000038752679 569806410 /nfs/dbraw/zinc/80/64/10/569806410.db2.gz DHUVGVZBUPSCFS-NRFANRHFSA-N -1 1 492.519 5.611 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)c(Cl)c2)cc1 ZINC000038755085 569806977 /nfs/dbraw/zinc/80/69/77/569806977.db2.gz PAJBHISAWHSIGD-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000038756697 569807363 /nfs/dbraw/zinc/80/73/63/569807363.db2.gz CVVGWCRWPXWGLY-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000038756695 569807428 /nfs/dbraw/zinc/80/74/28/569807428.db2.gz CVVGWCRWPXWGLY-KRWDZBQOSA-N -1 1 458.967 5.164 40 0 JKABMM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000038771330 569807513 /nfs/dbraw/zinc/80/75/13/569807513.db2.gz NBXNBAQHTORZJF-HSZRJFAPSA-N -1 1 488.993 5.254 40 0 JKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1OCC ZINC000038772489 569807771 /nfs/dbraw/zinc/80/77/71/569807771.db2.gz LMIMTZRANVJVDN-UHFFFAOYSA-N -1 1 482.602 5.165 40 0 JKABMM O=C1[C@@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707091 569816531 /nfs/dbraw/zinc/81/65/31/569816531.db2.gz LKKNGOPEDJTLJJ-SDHOMARFSA-N -1 1 499.364 5.653 40 0 JKABMM Cc1[nH]c2ccccc2c1[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C([O-])=C2ON1c1ccccc1 ZINC000102752290 569820969 /nfs/dbraw/zinc/82/09/69/569820969.db2.gz XIHVMRAZUQUDDW-CCDWMCETSA-N -1 1 471.944 5.489 40 0 JKABMM Cc1nc2nc(N3c4ccccc4C[C@H]3C)[n-]c(=O)c2c(=S)n1-c1ccc(Cl)c(Cl)c1 ZINC000040386938 569824319 /nfs/dbraw/zinc/82/43/19/569824319.db2.gz APYQYXGFAXJFNU-LLVKDONJSA-N -1 1 470.385 5.536 40 0 JKABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2Sc2ccccc2)CC(=O)N3)cc1 ZINC000040400430 569827519 /nfs/dbraw/zinc/82/75/19/569827519.db2.gz MQVKPUOUIFAJNT-LJQANCHMSA-N -1 1 497.580 5.038 40 0 JKABMM Cc1nc(Nc2ccccc2Cl)sc1C(=O)C=C([O-])C(=O)Nc1c(Cl)cccc1Cl ZINC000102977589 569830377 /nfs/dbraw/zinc/83/03/77/569830377.db2.gz FOEIRCFSFRBNNM-UHFFFAOYSA-N -1 1 482.776 5.936 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)c1C ZINC000107629792 569856823 /nfs/dbraw/zinc/85/68/23/569856823.db2.gz BWRDUDLNZWIYSG-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000107807080 569857494 /nfs/dbraw/zinc/85/74/94/569857494.db2.gz QBGYYTRXTWTSQR-UHFFFAOYSA-N -1 1 493.368 5.014 40 0 JKABMM CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000108126217 569858759 /nfs/dbraw/zinc/85/87/59/569858759.db2.gz YIOOOOZVUQCRKH-UHFFFAOYSA-N -1 1 493.412 5.935 40 0 JKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc2ccccc2c1 ZINC000108931140 569859886 /nfs/dbraw/zinc/85/98/86/569859886.db2.gz YVDWTZXMGOXBHO-UHFFFAOYSA-N -1 1 472.975 5.095 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)cc1C ZINC000109024741 569860308 /nfs/dbraw/zinc/86/03/08/569860308.db2.gz LTMXJAOZDZWQGJ-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000216259381 569877970 /nfs/dbraw/zinc/87/79/70/569877970.db2.gz CYZTZNCMBMLORF-SANMLTNESA-N -1 1 488.609 6.054 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1C ZINC000216306120 569878288 /nfs/dbraw/zinc/87/82/88/569878288.db2.gz XCIJOIRZFGJGMB-KRWDZBQOSA-N -1 1 492.519 5.529 40 0 JKABMM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2)cc1 ZINC000216373538 569878557 /nfs/dbraw/zinc/87/85/57/569878557.db2.gz FCJBGEPPZUCYHO-UHFFFAOYSA-N -1 1 476.598 5.143 40 0 JKABMM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000216438749 569878848 /nfs/dbraw/zinc/87/88/48/569878848.db2.gz HKARIFBZVSJGDD-IBGZPJMESA-N -1 1 460.555 5.355 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(C(C)C)cc3)c(Cl)c2)cc1 ZINC000216448516 569878951 /nfs/dbraw/zinc/87/89/51/569878951.db2.gz XCNIHQKUNJIETB-UHFFFAOYSA-N -1 1 471.022 5.545 40 0 JKABMM O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000216460238 569879013 /nfs/dbraw/zinc/87/90/13/569879013.db2.gz IFSKWGOAWQDUQE-UHFFFAOYSA-N -1 1 478.957 6.185 40 0 JKABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(CSc4ccccc4)cc3)ccc21 ZINC000222622687 569887217 /nfs/dbraw/zinc/88/72/17/569887217.db2.gz NOFLKRGFCBRAMS-UHFFFAOYSA-N -1 1 464.612 5.079 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc(OC)c(C)c1 ZINC000222656733 569887804 /nfs/dbraw/zinc/88/78/04/569887804.db2.gz SSKCAADICAXFPO-JOCHJYFZSA-N -1 1 466.603 5.302 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)c(Cl)c2)cc1 ZINC000222672073 569888188 /nfs/dbraw/zinc/88/81/88/569888188.db2.gz AJMWURWGYBXAFE-UHFFFAOYSA-N -1 1 484.990 5.220 40 0 JKABMM CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c(Br)c(Cl)c1[O-] ZINC000222687512 569888574 /nfs/dbraw/zinc/88/85/74/569888574.db2.gz PVQWDRHQUVOMGA-HWOJHCLVSA-N -1 1 482.831 5.581 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222786252 569891074 /nfs/dbraw/zinc/89/10/74/569891074.db2.gz MGWGNORFRMYKEX-UHFFFAOYSA-N -1 1 484.990 5.220 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000222871026 569893166 /nfs/dbraw/zinc/89/31/66/569893166.db2.gz AIIQOHHQAFGEII-UHFFFAOYSA-N -1 1 464.974 5.532 40 0 JKABMM Cc1ccc(-c2nnc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)s2)cc1 ZINC000222888209 569893652 /nfs/dbraw/zinc/89/36/52/569893652.db2.gz BPQICWYPGSFOKL-UHFFFAOYSA-N -1 1 484.990 5.220 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC(C)(C)Cc3ccccc3)c2)cc1 ZINC000222922736 569894477 /nfs/dbraw/zinc/89/44/77/569894477.db2.gz OBIOLCPLSMNGFL-UHFFFAOYSA-N -1 1 456.995 5.200 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2C)cc1C ZINC000222933545 569894769 /nfs/dbraw/zinc/89/47/69/569894769.db2.gz XFKGVLASQPDNAW-OAQYLSRUSA-N -1 1 476.642 5.782 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2C)cc1 ZINC000222943379 569895081 /nfs/dbraw/zinc/89/50/81/569895081.db2.gz ADAKEQAWWCWENA-HXUWFJFHSA-N -1 1 462.615 5.474 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccc2c(c1)CCCC2 ZINC000223056512 569897985 /nfs/dbraw/zinc/89/79/85/569897985.db2.gz HBLYIONUTGJEOU-AREMUKBSSA-N -1 1 490.669 6.173 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc2c(c1)CCCC2 ZINC000223055701 569898003 /nfs/dbraw/zinc/89/80/03/569898003.db2.gz BTSQPFLMXKYEJA-SANMLTNESA-N -1 1 490.669 6.173 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1)c1ccc2c(c1)CCCC2 ZINC000223067891 569898388 /nfs/dbraw/zinc/89/83/88/569898388.db2.gz RGUBJXBHOBCNTQ-RUZDIDTESA-N -1 1 462.615 5.556 40 0 JKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223068314 569898425 /nfs/dbraw/zinc/89/84/25/569898425.db2.gz VSPCVMMQRUJGHM-RUZDIDTESA-N -1 1 462.615 5.556 40 0 JKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223095346 569899273 /nfs/dbraw/zinc/89/92/73/569899273.db2.gz ILFWNKNUALKUHV-AREMUKBSSA-N -1 1 497.060 6.209 40 0 JKABMM CCCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)s1 ZINC000223102831 569899523 /nfs/dbraw/zinc/89/95/23/569899523.db2.gz XSDYWMPHXIHFTE-UHFFFAOYSA-N -1 1 476.649 5.019 40 0 JKABMM C[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc2c(c1)CCC2 ZINC000223216708 569903768 /nfs/dbraw/zinc/90/37/68/569903768.db2.gz WWZOZPCCRDIOJN-MRXNPFEDSA-N -1 1 454.979 5.121 40 0 JKABMM C[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc2c(c1)CCC2 ZINC000223216763 569903821 /nfs/dbraw/zinc/90/38/21/569903821.db2.gz WWZOZPCCRDIOJN-INIZCTEOSA-N -1 1 454.979 5.121 40 0 JKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1C(C)C ZINC000223301093 569906612 /nfs/dbraw/zinc/90/66/12/569906612.db2.gz RTQVUUDDSUJTMU-NRFANRHFSA-N -1 1 494.657 6.036 40 0 JKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1C(C)C ZINC000223301375 569906679 /nfs/dbraw/zinc/90/66/79/569906679.db2.gz AQJGAFRRYGMJPV-NRFANRHFSA-N -1 1 494.657 6.036 40 0 JKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1C(C)C ZINC000223313237 569907053 /nfs/dbraw/zinc/90/70/53/569907053.db2.gz OCHMBMKMVWFJPX-FQEVSTJZSA-N -1 1 480.630 5.727 40 0 JKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1C(C)C ZINC000223313373 569907067 /nfs/dbraw/zinc/90/70/67/569907067.db2.gz WRUBQQSORUFYAW-NRFANRHFSA-N -1 1 494.657 6.036 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1C(C)C ZINC000223313727 569907085 /nfs/dbraw/zinc/90/70/85/569907085.db2.gz KRDSVMKCFDXANF-OAQYLSRUSA-N -1 1 494.657 6.036 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2C)c1C ZINC000223325055 569907565 /nfs/dbraw/zinc/90/75/65/569907565.db2.gz GGNHJCZDMJCCRJ-UHFFFAOYSA-N -1 1 476.649 5.017 40 0 JKABMM 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Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)cc1Cl ZINC000408695922 570018204 /nfs/dbraw/zinc/01/82/04/570018204.db2.gz UZBADCBBUYWEHI-UHFFFAOYSA-N -1 1 487.021 5.764 40 0 JKABMM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408695989 570018206 /nfs/dbraw/zinc/01/82/06/570018206.db2.gz YCTLHYALICLLTM-VWLOTQADSA-N -1 1 495.000 6.090 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 ZINC000408695918 570018248 /nfs/dbraw/zinc/01/82/48/570018248.db2.gz UWYRBQQSOHBXAQ-UHFFFAOYSA-N -1 1 452.576 5.111 40 0 JKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)ccc2n1Cc1ccccc1 ZINC000225741355 570018960 /nfs/dbraw/zinc/01/89/60/570018960.db2.gz MWOCDWSPPKIXHG-UHFFFAOYSA-N -1 1 498.935 5.584 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1)c1ccc(OC)c(C)c1 ZINC000225742375 570019034 /nfs/dbraw/zinc/01/90/34/570019034.db2.gz PFJPORVECORGEG-DEOSSOPVSA-N -1 1 480.630 5.611 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1NC(=O)CC ZINC000408698842 570020156 /nfs/dbraw/zinc/02/01/56/570020156.db2.gz SELBFNHVAVHCJE-UHFFFAOYSA-N -1 1 456.589 5.386 40 0 JKABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 ZINC000225782571 570021354 /nfs/dbraw/zinc/02/13/54/570021354.db2.gz LMCHDCCIPQPLKA-UHFFFAOYSA-N -1 1 458.992 5.128 40 0 JKABMM O=c1sc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225782677 570021369 /nfs/dbraw/zinc/02/13/69/570021369.db2.gz IRAJGKXBNYQSEF-UHFFFAOYSA-N -1 1 465.383 5.219 40 0 JKABMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 ZINC000225783494 570021436 /nfs/dbraw/zinc/02/14/36/570021436.db2.gz XTJOMQCEKGQEEO-UHFFFAOYSA-N -1 1 458.992 5.128 40 0 JKABMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 ZINC000225790248 570021875 /nfs/dbraw/zinc/02/18/75/570021875.db2.gz NFIYQZSAWLJXLW-UHFFFAOYSA-N -1 1 489.018 5.353 40 0 JKABMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl ZINC000225796803 570022110 /nfs/dbraw/zinc/02/21/10/570022110.db2.gz TUUORTILRPVQMI-UHFFFAOYSA-N -1 1 458.992 5.182 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl ZINC000225798707 570022233 /nfs/dbraw/zinc/02/22/33/570022233.db2.gz XQGXNOSLSVLKOZ-UHFFFAOYSA-N -1 1 479.410 5.527 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(OC)c(C)c1 ZINC000225798147 570022238 /nfs/dbraw/zinc/02/22/38/570022238.db2.gz DRCXNEOCMMTAHS-HSZRJFAPSA-N -1 1 466.603 5.302 40 0 JKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc2n1Cc1ccccc1Cl ZINC000225801063 570022365 /nfs/dbraw/zinc/02/23/65/570022365.db2.gz XNPIPIRMKUHQRY-UHFFFAOYSA-N -1 1 498.935 5.584 40 0 JKABMM CC(C)Oc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c1 ZINC000225803868 570022606 /nfs/dbraw/zinc/02/26/06/570022606.db2.gz GMZXRVALHXAKLY-UHFFFAOYSA-N -1 1 489.018 5.353 40 0 JKABMM COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)oc21 ZINC000408702760 570022789 /nfs/dbraw/zinc/02/27/89/570022789.db2.gz OEUZESNFIGEENL-UHFFFAOYSA-N -1 1 472.522 5.648 40 0 JKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000408703070 570023028 /nfs/dbraw/zinc/02/30/28/570023028.db2.gz MLSQFXCOPSNEOY-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000225814337 570023061 /nfs/dbraw/zinc/02/30/61/570023061.db2.gz SFVJFYHEOLOXIG-FQEVSTJZSA-N -1 1 450.604 5.466 40 0 JKABMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc(C)c1Cl ZINC000408703452 570023255 /nfs/dbraw/zinc/02/32/55/570023255.db2.gz RWFOORKLPADINE-QGZVFWFLSA-N -1 1 458.967 5.164 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccccc4)s3)ccc2C)c1 ZINC000225831786 570023831 /nfs/dbraw/zinc/02/38/31/570023831.db2.gz GPTUHAIMSOCNHC-UHFFFAOYSA-N -1 1 478.599 5.183 40 0 JKABMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408705577 570024628 /nfs/dbraw/zinc/02/46/28/570024628.db2.gz IXXDONKVTITLIL-KRWDZBQOSA-N -1 1 487.021 5.844 40 0 JKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OCc1c(C)cc(C)cc1C ZINC000408735293 570030158 /nfs/dbraw/zinc/03/01/58/570030158.db2.gz PVUWARXEGBYJGS-UHFFFAOYSA-N -1 1 460.599 6.456 40 0 JKABMM C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc([O-])c(Br)c2)SC1Nc1ccccc1 ZINC000408803711 570046588 /nfs/dbraw/zinc/04/65/88/570046588.db2.gz SKJTUJPBXAVMAZ-APUJPAGKSA-N -1 1 472.428 6.209 40 0 JKABMM C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc([O-])c(Br)c2)SC1Nc1ccccc1 ZINC000408803713 570046792 /nfs/dbraw/zinc/04/67/92/570046792.db2.gz SKJTUJPBXAVMAZ-WENSYSQISA-N -1 1 472.428 6.209 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1 ZINC000408907792 570071307 /nfs/dbraw/zinc/07/13/07/570071307.db2.gz RZTJTDIGWMUERB-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000408908665 570071703 /nfs/dbraw/zinc/07/17/03/570071703.db2.gz XPIBNQSYDTXXMA-UHFFFAOYSA-N -1 1 484.883 5.421 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408913835 570074225 /nfs/dbraw/zinc/07/42/25/570074225.db2.gz UKCDCWQQWNBNAX-UHFFFAOYSA-N -1 1 454.857 5.412 40 0 JKABMM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408920650 570077062 /nfs/dbraw/zinc/07/70/62/570077062.db2.gz LWHDYDYWKGLVIT-UHFFFAOYSA-N -1 1 497.041 6.166 40 0 JKABMM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408921529 570077332 /nfs/dbraw/zinc/07/73/32/570077332.db2.gz ILABDCDJZOWQLC-UHFFFAOYSA-N -1 1 487.419 5.800 40 0 JKABMM O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408921401 570077349 /nfs/dbraw/zinc/07/73/49/570077349.db2.gz HDMMAGFHVJSALB-MDWZMJQESA-N -1 1 480.895 5.812 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2)c1 ZINC000408921349 570077387 /nfs/dbraw/zinc/07/73/87/570077387.db2.gz GQNBDZDPCRETHB-MRXNPFEDSA-N -1 1 461.008 5.569 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)SCc3ccccc3)cc2)c1 ZINC000408922286 570077490 /nfs/dbraw/zinc/07/74/90/570077490.db2.gz YZSGBSWOKKXMON-LJQANCHMSA-N -1 1 454.617 5.365 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)SCc3ccccc3)cc2)c1 ZINC000408922284 570077506 /nfs/dbraw/zinc/07/75/06/570077506.db2.gz YZSGBSWOKKXMON-IBGZPJMESA-N -1 1 454.617 5.365 40 0 JKABMM O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408922996 570077641 /nfs/dbraw/zinc/07/76/41/570077641.db2.gz DIUQQAWGXZSZRL-OQLLNIDSSA-N -1 1 497.403 6.599 40 0 JKABMM Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000408923315 570077860 /nfs/dbraw/zinc/07/78/60/570077860.db2.gz BKQVMLXMRBKOMF-UHFFFAOYSA-N -1 1 475.035 5.630 40 0 JKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000408923622 570077976 /nfs/dbraw/zinc/07/79/76/570077976.db2.gz YQKCLDJPPYQCEQ-WOJGMQOQSA-N -1 1 458.539 5.301 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3cc(C)cc(C)c3)cc2)c1 ZINC000408924320 570078159 /nfs/dbraw/zinc/07/81/59/570078159.db2.gz GRWFPOCFVIGKFV-UHFFFAOYSA-N -1 1 468.644 5.593 40 0 JKABMM Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408924298 570078204 /nfs/dbraw/zinc/07/82/04/570078204.db2.gz GHVZQLJHOPBPPD-UHFFFAOYSA-N -1 1 461.008 5.321 40 0 JKABMM COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000408925027 570078308 /nfs/dbraw/zinc/07/83/08/570078308.db2.gz RWKQQOINNMWTIU-UHFFFAOYSA-N -1 1 477.007 5.021 40 0 JKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000408925834 570078453 /nfs/dbraw/zinc/07/84/53/570078453.db2.gz QTZKMRWRJCQWFG-OVCLIPMQSA-N -1 1 456.951 5.110 40 0 JKABMM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408926194 570078655 /nfs/dbraw/zinc/07/86/55/570078655.db2.gz QBLPOOICROGSAJ-UHFFFAOYSA-N -1 1 497.041 6.415 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Cl)cc3)cc2)c1 ZINC000408927031 570078765 /nfs/dbraw/zinc/07/87/65/570078765.db2.gz SFOXTNIEMIFVKL-UHFFFAOYSA-N -1 1 461.008 5.321 40 0 JKABMM O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408926808 570078792 /nfs/dbraw/zinc/07/87/92/570078792.db2.gz RAVQFVHNNLAGNT-UHFFFAOYSA-N -1 1 491.432 5.122 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1cccc2ccccc21 ZINC000408986429 570092435 /nfs/dbraw/zinc/09/24/35/570092435.db2.gz CHGGOHLVNPSEDO-UHFFFAOYSA-N -1 1 496.632 7.464 40 0 JKABMM CCOc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCCC6)o3)sc2c1 ZINC000408987149 570092714 /nfs/dbraw/zinc/09/27/14/570092714.db2.gz ANVWNLOSQAHARS-UHFFFAOYSA-N -1 1 495.651 7.085 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1c(C)cc(C)cc1C ZINC000408987225 570092860 /nfs/dbraw/zinc/09/28/60/570092860.db2.gz FEJKPXFNYIHHIB-UHFFFAOYSA-N -1 1 488.653 7.236 40 0 JKABMM CCOC(=O)COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc1OCC ZINC000408987969 570093092 /nfs/dbraw/zinc/09/30/92/570093092.db2.gz GNMLXBUMFYTWLZ-UHFFFAOYSA-N -1 1 456.564 5.064 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1cccc(C)c1 ZINC000408989175 570093387 /nfs/dbraw/zinc/09/33/87/570093387.db2.gz KHPYNDXXWSVOPL-UHFFFAOYSA-N -1 1 474.626 7.009 40 0 JKABMM COc1ccc(OC)c(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCC5)cc2)c1 ZINC000408993601 570094881 /nfs/dbraw/zinc/09/48/81/570094881.db2.gz WRRRTUQHBBOXEZ-UHFFFAOYSA-N -1 1 462.571 5.929 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1ccccc1 ZINC000408993395 570094884 /nfs/dbraw/zinc/09/48/84/570094884.db2.gz WLFZILLRXMACCY-UHFFFAOYSA-N -1 1 460.599 6.701 40 0 JKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCC(=O)Nc1ccccc1 ZINC000408998264 570095828 /nfs/dbraw/zinc/09/58/28/570095828.db2.gz LFHOWEVAXXOWRO-UHFFFAOYSA-N -1 1 475.570 5.359 40 0 JKABMM O=C([O-])c1ccc(-c2ccc(CN3CCC[C@H]3c3ccnc(-c4ccc(Cl)cc4)n3)o2)cc1O ZINC000257201948 570108366 /nfs/dbraw/zinc/10/83/66/570108366.db2.gz AJSYQMVPDOKDOD-QFIPXVFZSA-N -1 1 475.932 5.798 40 0 JKABMM O=C([O-])c1sc2ccccc2c1C[C@H]1CCCN1CC(=O)Nc1ccc(Br)cc1 ZINC000257263271 570127295 /nfs/dbraw/zinc/12/72/95/570127295.db2.gz LPBNHYRLKQSIOR-MRXNPFEDSA-N -1 1 473.392 5.008 40 0 JKABMM CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCC[N@@H+](Cc4ccccc4OCC(=O)[O-])[C@H]3C[C@@H]21 ZINC000257274379 570130873 /nfs/dbraw/zinc/13/08/73/570130873.db2.gz NKUDJAZDRDDGQB-WXAIXHMISA-N -1 1 471.981 5.085 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000409167850 570153901 /nfs/dbraw/zinc/15/39/01/570153901.db2.gz OGLUQOYVLBFIMS-WLRTZDKTSA-N -1 1 461.370 5.755 40 0 JKABMM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000409171704 570155080 /nfs/dbraw/zinc/15/50/80/570155080.db2.gz FLSSTZHWUHSINP-UHFFFAOYSA-N -1 1 454.617 5.534 40 0 JKABMM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000409172521 570155375 /nfs/dbraw/zinc/15/53/75/570155375.db2.gz JULUEZIAKISFTO-UHFFFAOYSA-N -1 1 495.453 6.224 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000409173119 570155565 /nfs/dbraw/zinc/15/55/65/570155565.db2.gz KBXGRNKMFYBFKA-NYYWCZLTSA-N -1 1 495.815 6.408 40 0 JKABMM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000409173048 570155581 /nfs/dbraw/zinc/15/55/81/570155581.db2.gz LDHWCENGBQXBFS-QGZVFWFLSA-N -1 1 475.035 5.877 40 0 JKABMM CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c([O-])c(Cl)c3Br)N21 ZINC000260755916 570156662 /nfs/dbraw/zinc/15/66/62/570156662.db2.gz CFWKEYLMPKPARW-YKJXYISPSA-N -1 1 468.804 5.191 40 0 JKABMM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c([O-])c(Cl)c3Br)N21 ZINC000260755913 570156660 /nfs/dbraw/zinc/15/66/60/570156660.db2.gz CFWKEYLMPKPARW-LWNYNHHKSA-N -1 1 468.804 5.191 40 0 JKABMM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3Br)cc2)S1 ZINC000409187855 570160956 /nfs/dbraw/zinc/16/09/56/570160956.db2.gz VDFLIHHRUIVPJK-VIZOYTHASA-N -1 1 469.154 5.115 40 0 JKABMM Cc1n[nH]c(SC(=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])n1 ZINC000409192026 570162236 /nfs/dbraw/zinc/16/22/36/570162236.db2.gz SPWUOHDFHNWTCT-GRSHGNNSSA-N -1 1 469.364 5.096 40 0 JKABMM Cc1nc(SC(=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000409192026 570162237 /nfs/dbraw/zinc/16/22/37/570162237.db2.gz SPWUOHDFHNWTCT-GRSHGNNSSA-N -1 1 469.364 5.096 40 0 JKABMM Cc1n[nH]c(SC(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(=O)[O-])n1 ZINC000409192098 570162243 /nfs/dbraw/zinc/16/22/43/570162243.db2.gz UTQQVFYZXXWGSM-MTJSOVHGSA-N -1 1 496.386 5.826 40 0 JKABMM Cc1nc(SC(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(=O)[O-])n[nH]1 ZINC000409192098 570162244 /nfs/dbraw/zinc/16/22/44/570162244.db2.gz UTQQVFYZXXWGSM-MTJSOVHGSA-N -1 1 496.386 5.826 40 0 JKABMM CCOc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C ZINC000409193762 570162852 /nfs/dbraw/zinc/16/28/52/570162852.db2.gz MEKTXMFPGWCRDX-UUYOSTAYSA-N -1 1 453.564 5.234 40 0 JKABMM CCOc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C ZINC000409193762 570162853 /nfs/dbraw/zinc/16/28/53/570162853.db2.gz MEKTXMFPGWCRDX-UUYOSTAYSA-N -1 1 453.564 5.234 40 0 JKABMM Cc1n[nH]c(SC(=Cc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)C(=O)[O-])n1 ZINC000409195596 570163491 /nfs/dbraw/zinc/16/34/91/570163491.db2.gz UGRKVPDZGPFZFJ-ITYLOYPMSA-N -1 1 492.604 6.764 40 0 JKABMM Cc1nc(SC(=Cc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)C(=O)[O-])n[nH]1 ZINC000409195596 570163492 /nfs/dbraw/zinc/16/34/92/570163492.db2.gz UGRKVPDZGPFZFJ-ITYLOYPMSA-N -1 1 492.604 6.764 40 0 JKABMM O=c1[n-]c(SCc2ccc(Cl)cc2)n[n+]2c1-c1ccccc1N[C@H]2c1cccc([O-])c1Cl ZINC000261361978 570167379 /nfs/dbraw/zinc/16/73/79/570167379.db2.gz BOCWQUKZKJFNBZ-OAQYLSRUSA-O -1 1 484.388 5.414 40 0 JKABMM Cc1ccc(CSc2n[n+]3c(c(=O)[n-]2)-c2ccccc2N[C@@H]3c2cccc([O-])c2Cl)cc1 ZINC000261365038 570168930 /nfs/dbraw/zinc/16/89/30/570168930.db2.gz POMBUDGUHBBBGV-QFIPXVFZSA-O -1 1 463.970 5.069 40 0 JKABMM Cc1ccc(CSc2n[n+]3c(c(=O)[n-]2)-c2ccccc2N[C@H]3c2ccc([O-])c(Cl)c2)cc1 ZINC000261365818 570169195 /nfs/dbraw/zinc/16/91/95/570169195.db2.gz VMLVHUMAKYEZII-JOCHJYFZSA-O -1 1 463.970 5.069 40 0 JKABMM Cc1ccc(CSc2n[n+]3c(c(=O)[n-]2)-c2ccccc2N[C@@H]3c2ccc([O-])c(Cl)c2)cc1 ZINC000261365819 570169251 /nfs/dbraw/zinc/16/92/51/570169251.db2.gz VMLVHUMAKYEZII-QFIPXVFZSA-O -1 1 463.970 5.069 40 0 JKABMM Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408526226 570185823 /nfs/dbraw/zinc/18/58/23/570185823.db2.gz ACDOMWMMLLFUNU-UHFFFAOYSA-N -1 1 499.803 5.774 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OC(=O)c1cccc2ccccc21 ZINC000409253383 570186426 /nfs/dbraw/zinc/18/64/26/570186426.db2.gz BBXULQRCPGXNRJ-UHFFFAOYSA-N -1 1 496.588 6.714 40 0 JKABMM CC(C)(C)c1ccc(OCCOc2cccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)c2)cc1 ZINC000409254764 570186652 /nfs/dbraw/zinc/18/66/52/570186652.db2.gz FTSOLMFFWPDXPN-UHFFFAOYSA-N -1 1 474.626 6.698 40 0 JKABMM Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408528811 570187003 /nfs/dbraw/zinc/18/70/03/570187003.db2.gz HEYLQCWLZRQMFN-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NCc1ccccc1Cl ZINC000408530341 570187724 /nfs/dbraw/zinc/18/77/24/570187724.db2.gz KJRKGGVCCJQUFE-UHFFFAOYSA-N -1 1 499.803 5.143 40 0 JKABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCCSc1cccc2ccccc21 ZINC000409267233 570188651 /nfs/dbraw/zinc/18/86/51/570188651.db2.gz MQPGZIQOTVMFQY-UHFFFAOYSA-N -1 1 454.551 6.335 40 0 JKABMM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c(C)c1 ZINC000408535806 570190221 /nfs/dbraw/zinc/19/02/21/570190221.db2.gz WQPSLIVLQNLNRG-UHFFFAOYSA-N -1 1 493.412 5.737 40 0 JKABMM Cc1cccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000408545398 570192810 /nfs/dbraw/zinc/19/28/10/570192810.db2.gz LENYGXUVDZWUPH-UHFFFAOYSA-N -1 1 482.671 5.384 40 0 JKABMM CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000408545222 570192812 /nfs/dbraw/zinc/19/28/12/570192812.db2.gz JKZQUEZJXWTXJP-UHFFFAOYSA-N -1 1 493.629 5.195 40 0 JKABMM O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408545727 570192911 /nfs/dbraw/zinc/19/29/11/570192911.db2.gz NGMAPNMLHNLQHD-UHFFFAOYSA-N -1 1 499.416 5.805 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Sc3ccccc3)ccc2C)c1 ZINC000408545751 570193060 /nfs/dbraw/zinc/19/30/60/570193060.db2.gz NWHJNDOMGSTYHI-UHFFFAOYSA-N -1 1 488.634 6.508 40 0 JKABMM CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000408546590 570193340 /nfs/dbraw/zinc/19/33/40/570193340.db2.gz URBRPXKPNFQWRG-UHFFFAOYSA-N -1 1 493.629 5.195 40 0 JKABMM CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000408546557 570193369 /nfs/dbraw/zinc/19/33/69/570193369.db2.gz FGTGIHQKNCMGNU-UHFFFAOYSA-N -1 1 493.629 5.195 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2C)cc1 ZINC000408546817 570193534 /nfs/dbraw/zinc/19/35/34/570193534.db2.gz GOYUVHLCLKVFLN-UHFFFAOYSA-N -1 1 463.386 5.341 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)c1C ZINC000408547644 570193835 /nfs/dbraw/zinc/19/38/35/570193835.db2.gz KOVJGDZYRBIAOB-UHFFFAOYSA-N -1 1 462.493 5.684 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408550022 570194837 /nfs/dbraw/zinc/19/48/37/570194837.db2.gz ARJBZTZLMWBZSK-UHFFFAOYSA-N -1 1 485.776 5.709 40 0 JKABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 ZINC000408552744 570195657 /nfs/dbraw/zinc/19/56/57/570195657.db2.gz NLNZBFRVXPPOHE-OAHLLOKOSA-N -1 1 479.385 5.050 40 0 JKABMM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408558716 570199205 /nfs/dbraw/zinc/19/92/05/570199205.db2.gz SGJZCRUPWBAHAV-UHFFFAOYSA-N -1 1 495.384 5.210 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558756 570199211 /nfs/dbraw/zinc/19/92/11/570199211.db2.gz SUOSJGKKJMYMMG-UHFFFAOYSA-N -1 1 462.980 5.124 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559819 570199986 /nfs/dbraw/zinc/19/99/86/570199986.db2.gz ZEMYTIVOPIZQTN-UHFFFAOYSA-N -1 1 465.358 5.445 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1ccc(Cl)cc1 ZINC000409331309 570204301 /nfs/dbraw/zinc/20/43/01/570204301.db2.gz AIOUZRPQQYYJLH-UHFFFAOYSA-N -1 1 495.044 7.354 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)c(C)c1 ZINC000408579827 570206494 /nfs/dbraw/zinc/20/64/94/570206494.db2.gz KATLTVGQVDUEFU-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)c1C ZINC000408581028 570206721 /nfs/dbraw/zinc/20/67/21/570206721.db2.gz SRUARBGJGMQXCX-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408586189 570208060 /nfs/dbraw/zinc/20/80/60/570208060.db2.gz APZFFNMPPITTKD-UHFFFAOYSA-N -1 1 458.967 5.029 40 0 JKABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408590604 570209036 /nfs/dbraw/zinc/20/90/36/570209036.db2.gz JZFJASCGFYLUAO-UHFFFAOYSA-N -1 1 498.910 5.486 40 0 JKABMM Cc1cc2nc(Nc3nc(C)c(Cc4ccc(Br)cc4)c(=O)[n-]3)nc(C)c2cc1C ZINC000020797937 195226466 /nfs/dbraw/zinc/22/64/66/195226466.db2.gz SNEDEPRUOQBPOD-UHFFFAOYSA-N -1 1 464.367 5.044 40 0 JKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000020765859 195221093 /nfs/dbraw/zinc/22/10/93/195221093.db2.gz UOMAGZOPIODPGQ-UHFFFAOYSA-N -1 1 492.597 5.037 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1Cl ZINC000020766453 195221641 /nfs/dbraw/zinc/22/16/41/195221641.db2.gz JYHPPPCUTPSDBR-UHFFFAOYSA-N -1 1 475.397 5.696 40 0 JKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766446 195221656 /nfs/dbraw/zinc/22/16/56/195221656.db2.gz KFUNHQWFGMRWCB-UHFFFAOYSA-N -1 1 475.397 5.696 40 0 JKABMM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc21 ZINC000020766411 195221719 /nfs/dbraw/zinc/22/17/19/195221719.db2.gz NFLDUMXFSDMDOK-UHFFFAOYSA-N -1 1 476.985 5.887 40 0 JKABMM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc21 ZINC000020766473 195221746 /nfs/dbraw/zinc/22/17/46/195221746.db2.gz QQXUIZDRQAOPBJ-UHFFFAOYSA-N -1 1 494.922 5.753 40 0 JKABMM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)ccc21 ZINC000020766469 195221774 /nfs/dbraw/zinc/22/17/74/195221774.db2.gz JUESAKJXVUGGPF-UHFFFAOYSA-N -1 1 495.815 6.041 40 0 JKABMM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc21 ZINC000020767156 195222574 /nfs/dbraw/zinc/22/25/74/195222574.db2.gz GFDDHKCEUXOQQJ-UHFFFAOYSA-N -1 1 476.985 5.887 40 0 JKABMM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)ccc21 ZINC000020767208 195222819 /nfs/dbraw/zinc/22/28/19/195222819.db2.gz MUKVONDMDXWKPE-UHFFFAOYSA-N -1 1 495.815 6.041 40 0 JKABMM Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306107 195293696 /nfs/dbraw/zinc/29/36/96/195293696.db2.gz QLPASXCUCHIEPS-OAHLLOKOSA-N -1 1 479.385 5.509 40 0 JKABMM Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000021306129 195293816 /nfs/dbraw/zinc/29/38/16/195293816.db2.gz BPWSYPWDUBVMIU-MRXNPFEDSA-N -1 1 493.412 5.817 40 0 JKABMM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306236 195293997 /nfs/dbraw/zinc/29/39/97/195293997.db2.gz ZAGMSPVHCRBVOR-JOCHJYFZSA-N -1 1 493.412 5.899 40 0 JKABMM CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044840718 519847986 /nfs/dbraw/zinc/84/79/86/519847986.db2.gz XULLXOPVNGPIIP-KRWDZBQOSA-N -1 1 472.994 5.670 40 0 JKABMM CCOc1ccc([C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020485052 521255780 /nfs/dbraw/zinc/25/57/80/521255780.db2.gz SWTJCMCXLKWAIK-KRWDZBQOSA-N -1 1 472.994 5.339 40 0 JKABMM CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000020492988 521255861 /nfs/dbraw/zinc/25/58/61/521255861.db2.gz NLQJLPCZMXIVTO-FQEVSTJZSA-N -1 1 466.603 5.302 40 0 JKABMM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)ccc1Cl ZINC000022527092 521440869 /nfs/dbraw/zinc/44/08/69/521440869.db2.gz MUDJSNWFFZRQLL-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CCOC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)ccc1Cl ZINC000020456823 521443958 /nfs/dbraw/zinc/44/39/58/521443958.db2.gz OAFUDELVOCUGAM-UHFFFAOYSA-N -1 1 493.368 5.223 40 0 JKABMM CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000044947569 521778630 /nfs/dbraw/zinc/77/86/30/521778630.db2.gz ZGEAWMPKUPTCDE-UHFFFAOYSA-N -1 1 454.617 5.777 40 0 JKABMM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000044902645 521925015 /nfs/dbraw/zinc/92/50/15/521925015.db2.gz MVSOZDILGZCDTF-QGZVFWFLSA-N -1 1 472.994 5.418 40 0 JKABMM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000020491668 521925178 /nfs/dbraw/zinc/92/51/78/521925178.db2.gz MDLNBGHWZNHFMG-MRXNPFEDSA-N -1 1 458.967 5.109 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccc(C)cc1 ZINC000022527892 522783042 /nfs/dbraw/zinc/78/30/42/522783042.db2.gz WLYRMEZHPAZREH-HSZRJFAPSA-N -1 1 450.604 5.602 40 0 JKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccc(OC)cc1 ZINC000022531010 522787832 /nfs/dbraw/zinc/78/78/32/522787832.db2.gz BQEKWVVLTGCIRQ-HSZRJFAPSA-N -1 1 472.994 5.339 40 0 JKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020491586 522869492 /nfs/dbraw/zinc/86/94/92/522869492.db2.gz XJGSRRPKEIZECK-QFIPXVFZSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000044900296 522869804 /nfs/dbraw/zinc/86/98/04/522869804.db2.gz UQHKNYJXHUXCDA-QFIPXVFZSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020458457 522873936 /nfs/dbraw/zinc/87/39/36/522873936.db2.gz FURLBGKRZFCFJK-VWLOTQADSA-N -1 1 478.545 5.576 40 0 JKABMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000022532035 522882107 /nfs/dbraw/zinc/88/21/07/522882107.db2.gz ANEMBQSJUQWWJQ-QHCPKHFHSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000022509233 522883115 /nfs/dbraw/zinc/88/31/15/522883115.db2.gz JOJGQBQCVXHQJP-QFIPXVFZSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000022533399 522896385 /nfs/dbraw/zinc/89/63/85/522896385.db2.gz KDJPVSWOGRDWAK-NRFANRHFSA-N -1 1 458.967 5.245 40 0 JKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020457066 522919805 /nfs/dbraw/zinc/91/98/05/522919805.db2.gz IVQLCDGZNKCNMO-QHCPKHFHSA-N -1 1 489.062 6.267 40 0 JKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000020455022 523045820 /nfs/dbraw/zinc/04/58/20/523045820.db2.gz UJXRYWZVASOHCZ-RUZDIDTESA-N -1 1 495.000 6.090 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020488210 523047865 /nfs/dbraw/zinc/04/78/65/523047865.db2.gz MEGMFQNCWVSRLK-XMMPIXPASA-N -1 1 452.576 5.209 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020489314 523048296 /nfs/dbraw/zinc/04/82/96/523048296.db2.gz QGBHHQINXRUBAY-HSZRJFAPSA-N -1 1 472.994 5.554 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000022515203 523050213 /nfs/dbraw/zinc/05/02/13/523050213.db2.gz KZYCUVHVFKYSFI-HSZRJFAPSA-N -1 1 452.576 5.209 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000044901231 523050316 /nfs/dbraw/zinc/05/03/16/523050316.db2.gz FWENTRGELMIZJU-XMMPIXPASA-N -1 1 466.603 5.517 40 0 JKABMM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000044884094 523053488 /nfs/dbraw/zinc/05/34/88/523053488.db2.gz CODXKYLPYRRPPW-OAQYLSRUSA-N -1 1 479.385 5.590 40 0 JKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000022517464 523061315 /nfs/dbraw/zinc/06/13/15/523061315.db2.gz WMOVOHCNOLZPPM-UHFFFAOYSA-N -1 1 460.555 5.518 40 0 JKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020457065 523081427 /nfs/dbraw/zinc/08/14/27/523081427.db2.gz IVQLCDGZNKCNMO-HSZRJFAPSA-N -1 1 489.062 6.267 40 0 JKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000020456735 523082779 /nfs/dbraw/zinc/08/27/79/523082779.db2.gz DYAFENPAABOORE-JOCHJYFZSA-N -1 1 475.035 5.959 40 0 JKABMM CCc1cccc(C(C)C)c1NC(=O)C([O-])=C(c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000008665057 524062201 /nfs/dbraw/zinc/06/22/01/524062201.db2.gz WPXRMPGLQFDXTC-AREMUKBSSA-N -1 1 463.599 5.236 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2C)c1 ZINC000020453544 524161207 /nfs/dbraw/zinc/16/12/07/524161207.db2.gz OUJRQUFNJGKUAT-UHFFFAOYSA-N -1 1 456.995 5.338 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)c1 ZINC000044880993 524161393 /nfs/dbraw/zinc/16/13/93/524161393.db2.gz WFHOGAMKGSULPM-HXUWFJFHSA-N -1 1 466.603 5.634 40 0 JKABMM COc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020484729 524242626 /nfs/dbraw/zinc/24/26/26/524242626.db2.gz LYNJNAQRDSPTDK-UHFFFAOYSA-N -1 1 465.358 5.364 40 0 JKABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1Cl ZINC000020454672 524637291 /nfs/dbraw/zinc/63/72/91/524637291.db2.gz XSJFXVJRAKZZSS-UHFFFAOYSA-N -1 1 451.331 5.055 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)c1 ZINC000020459345 524692239 /nfs/dbraw/zinc/69/22/39/524692239.db2.gz CMRYTNDNFVPILJ-IBGZPJMESA-N -1 1 452.576 5.325 40 0 JKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1C ZINC000044849768 524781386 /nfs/dbraw/zinc/78/13/86/524781386.db2.gz YOGBIRGTPJJRAI-HXUWFJFHSA-N -1 1 474.582 5.663 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000020481044 525174765 /nfs/dbraw/zinc/17/47/65/525174765.db2.gz CUJPDCMQKUGFQC-XMMPIXPASA-N -1 1 466.603 5.322 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000044900254 525175089 /nfs/dbraw/zinc/17/50/89/525175089.db2.gz TVXOIJLYHYOXHY-AREMUKBSSA-N -1 1 494.657 5.938 40 0 JKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000044845039 525175261 /nfs/dbraw/zinc/17/52/61/525175261.db2.gz XCJRUJFDYYUAQD-RUZDIDTESA-N -1 1 480.630 5.630 40 0 JKABMM C[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000044947311 525199064 /nfs/dbraw/zinc/19/90/64/525199064.db2.gz MRKXGUXGFGWMIY-KRWDZBQOSA-N -1 1 471.022 5.929 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2C)cc1C ZINC000044883380 525296227 /nfs/dbraw/zinc/29/62/27/525296227.db2.gz XQTGJVKRKVVSKD-UHFFFAOYSA-N -1 1 466.603 5.130 40 0 JKABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000020459591 525302641 /nfs/dbraw/zinc/30/26/41/525302641.db2.gz FYFKWTWJEHYBAL-UHFFFAOYSA-N -1 1 494.594 5.389 40 0 JKABMM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020493271 525318828 /nfs/dbraw/zinc/31/88/28/525318828.db2.gz HNNWESIIFSEPDL-INIZCTEOSA-N -1 1 478.492 5.221 40 0 JKABMM Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020493270 525322220 /nfs/dbraw/zinc/32/22/20/525322220.db2.gz HNNWESIIFSEPDL-MRXNPFEDSA-N -1 1 478.492 5.221 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000044900117 525348997 /nfs/dbraw/zinc/34/89/97/525348997.db2.gz JIOVWKHVJACCHU-VWLOTQADSA-N -1 1 480.630 5.630 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000022513060 525350406 /nfs/dbraw/zinc/35/04/06/525350406.db2.gz ZICSHHCBOIALMJ-SANMLTNESA-N -1 1 494.657 5.938 40 0 JKABMM Cc1ccc(OCCCOc2c(Cl)cc(Cl)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000026675863 525412665 /nfs/dbraw/zinc/41/26/65/525412665.db2.gz IEQMEHBMHSQUHY-YVLHZVERSA-N -1 1 454.400 6.479 40 0 JKABMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1N1CCCC1=O ZINC000020488576 525422581 /nfs/dbraw/zinc/42/25/81/525422581.db2.gz KMJYQQCCSRLUOQ-UHFFFAOYSA-N -1 1 490.625 5.451 40 0 JKABMM Cc1ccccc1[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C)c1ccccc1 ZINC000020489551 525429170 /nfs/dbraw/zinc/42/91/70/525429170.db2.gz PXMGXTMSWWBHDU-HHHXNRCGSA-N -1 1 470.594 5.624 40 0 JKABMM Cc1ccccc1[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000020459492 525430338 /nfs/dbraw/zinc/43/03/38/525430338.db2.gz PDOYTTWFDGFXHI-AREMUKBSSA-N -1 1 456.567 5.315 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)ccc2C)cc1 ZINC000020453316 525593649 /nfs/dbraw/zinc/59/36/49/525593649.db2.gz JOFNABHFPBCASO-MUUNZHRXSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2C)cc1 ZINC000020453314 525595001 /nfs/dbraw/zinc/59/50/01/525595001.db2.gz JOFNABHFPBCASO-NDEPHWFRSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3cc(C)ccc3C)c(Cl)c2)cc1 ZINC000044900358 525600057 /nfs/dbraw/zinc/60/00/57/525600057.db2.gz AGEHWVAEXMYOSV-GOSISDBHSA-N -1 1 456.995 5.557 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H](C)c3cc(C)ccc3C)c2)cc1 ZINC000020494261 525604162 /nfs/dbraw/zinc/60/41/62/525604162.db2.gz LZHSDFPWUXSMTR-GOSISDBHSA-N -1 1 456.995 5.557 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3Oc3ccccc3)c2)cc1 ZINC000020481143 525607106 /nfs/dbraw/zinc/60/71/06/525607106.db2.gz KLXOHDWMFVXNAE-UHFFFAOYSA-N -1 1 492.984 6.494 40 0 JKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c(C)c1 ZINC000044839638 525716274 /nfs/dbraw/zinc/71/62/74/525716274.db2.gz MAFKNOSSCANQAC-OAQYLSRUSA-N -1 1 450.604 5.521 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c2ccccc2)cc1 ZINC000022522483 525770290 /nfs/dbraw/zinc/77/02/90/525770290.db2.gz WQPKTEUMJWLMQY-SANMLTNESA-N -1 1 491.012 5.969 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c2ccccc2)cc1 ZINC000022515067 525771939 /nfs/dbraw/zinc/77/19/39/525771939.db2.gz RZLPBVNVHUKEPJ-LJAQVGFWSA-N -1 1 498.648 6.240 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000020488795 525779774 /nfs/dbraw/zinc/77/97/74/525779774.db2.gz YQECDBFKVWZEFH-GOSISDBHSA-N -1 1 487.021 5.979 40 0 JKABMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020494178 525940236 /nfs/dbraw/zinc/94/02/36/525940236.db2.gz GFXYWMFPYCBJQW-CYBMUJFWSA-N -1 1 499.803 5.854 40 0 JKABMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020492962 525947258 /nfs/dbraw/zinc/94/72/58/525947258.db2.gz LGRPFUPBASQWMC-AWEZNQCLSA-N -1 1 465.358 5.200 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020456871 526053538 /nfs/dbraw/zinc/05/35/38/526053538.db2.gz NGOJITSSKXARPK-UHFFFAOYSA-N -1 1 454.617 5.759 40 0 JKABMM Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000020492609 526212137 /nfs/dbraw/zinc/21/21/37/526212137.db2.gz HZRTZAKGLVSCBQ-HHHXNRCGSA-N -1 1 470.594 5.624 40 0 JKABMM O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020484273 527110080 /nfs/dbraw/zinc/11/00/80/527110080.db2.gz COZKUAIILWAOFW-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM O=C(Nc1ccc(Cl)cc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020487386 527184927 /nfs/dbraw/zinc/18/49/27/527184927.db2.gz DWQUFWBYFOBORA-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM O=C(Nc1ccccc1C(F)(F)F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020484674 527411757 /nfs/dbraw/zinc/41/17/57/527411757.db2.gz SBDWHAQHWXQLQE-UHFFFAOYSA-N -1 1 454.857 5.412 40 0 JKABMM Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc(Br)cc4)cc3[O-])nc2c1 ZINC000001053131 553901869 /nfs/dbraw/zinc/90/18/69/553901869.db2.gz WZNLPPLYVCLQBP-UHFFFAOYSA-N -1 1 453.292 5.289 40 0 JKABMM CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccccc2[N-]S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000001761835 553986178 /nfs/dbraw/zinc/98/61/78/553986178.db2.gz YZVKDPFWEMCJRQ-UHFFFAOYSA-N -1 1 496.673 6.241 40 0 JKABMM Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)c(C)c1 ZINC000001855002 553996739 /nfs/dbraw/zinc/99/67/39/553996739.db2.gz DGMKHUJHFVCIPS-UHFFFAOYSA-N -1 1 451.935 5.597 40 0 JKABMM CCOc1ccc2nc(SCC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)sc2c1 ZINC000002674969 554280304 /nfs/dbraw/zinc/28/03/04/554280304.db2.gz RQAHYCBSYYNTFQ-UHFFFAOYSA-N -1 1 484.624 5.471 40 0 JKABMM CN(C(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000003067718 554425299 /nfs/dbraw/zinc/42/52/99/554425299.db2.gz SHHXPBBNCPATKH-DGCLKSJQSA-N -1 1 464.233 5.553 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1F)c1ccc(Cl)cc1 ZINC000008810090 554689136 /nfs/dbraw/zinc/68/91/36/554689136.db2.gz HTMSTSXJNIAJPX-UHFFFAOYSA-N -1 1 496.947 6.325 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810064 554689146 /nfs/dbraw/zinc/68/91/46/554689146.db2.gz YXQOJYJOGZBODW-UHFFFAOYSA-N -1 1 453.322 5.494 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1F)c1ccc(Cl)cc1 ZINC000008810054 554689156 /nfs/dbraw/zinc/68/91/56/554689156.db2.gz DYOSDMDAAFJAIC-UHFFFAOYSA-N -1 1 454.910 5.685 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1F)c1cccc(Cl)c1 ZINC000008810249 554689571 /nfs/dbraw/zinc/68/95/71/554689571.db2.gz ZAFMNQARKOGNRR-UHFFFAOYSA-N -1 1 496.947 6.325 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1F)c1cccc(Cl)c1 ZINC000008810239 554689577 /nfs/dbraw/zinc/68/95/77/554689577.db2.gz ZSUSUDAYDTZPBC-UHFFFAOYSA-N -1 1 472.847 5.551 40 0 JKABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1Cl ZINC000008810257 554689729 /nfs/dbraw/zinc/68/97/29/554689729.db2.gz 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Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000008810601 554690951 /nfs/dbraw/zinc/69/09/51/554690951.db2.gz URTFLWCVRJDRFF-UHFFFAOYSA-N -1 1 495.403 6.617 40 0 JKABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1 ZINC000008810603 554691049 /nfs/dbraw/zinc/69/10/49/554691049.db2.gz CXCOSQHXRMSRQD-UHFFFAOYSA-N -1 1 496.347 5.144 40 0 JKABMM CSc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1 ZINC000008810565 554691053 /nfs/dbraw/zinc/69/10/53/554691053.db2.gz PSYMKRZDJWSBDJ-UHFFFAOYSA-N -1 1 485.389 5.908 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4Br)cc3[O-])oc2c(C)c1 ZINC000008833331 554730803 /nfs/dbraw/zinc/73/08/03/554730803.db2.gz ZJNGPDCLEBJHNK-UHFFFAOYSA-N -1 1 496.386 5.707 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)cc3[O-])nc2c1 ZINC000008835148 554733575 /nfs/dbraw/zinc/73/35/75/554733575.db2.gz UGUKZORLGODAHC-UHFFFAOYSA-N -1 1 493.588 6.557 40 0 JKABMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c([O-])c2)cc1 ZINC000009064881 554884138 /nfs/dbraw/zinc/88/41/38/554884138.db2.gz OIFXBTLBCJZKTO-UHFFFAOYSA-N -1 1 461.543 5.288 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc5ccccc5c4)cc3[O-])oc2c(C)c1 ZINC000009064874 554884144 /nfs/dbraw/zinc/88/41/44/554884144.db2.gz NSXABSFABOIIKA-UHFFFAOYSA-N -1 1 467.550 6.097 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)cc3[O-])oc2c1 ZINC000009064862 554884154 /nfs/dbraw/zinc/88/41/54/554884154.db2.gz YBZISYOLJQXPNP-VZUCSPMQSA-N -1 1 463.946 5.689 40 0 JKABMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000009142350 554935449 /nfs/dbraw/zinc/93/54/49/554935449.db2.gz AMHPMRBGKGTNFV-UHFFFAOYSA-N -1 1 469.006 6.049 40 0 JKABMM O=C(NCCSCc1ccccc1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000019933476 555550642 /nfs/dbraw/zinc/55/06/42/555550642.db2.gz ZNBLXNJZQYMCCZ-UHFFFAOYSA-N -1 1 495.453 5.457 40 0 JKABMM Cc1ccccc1[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000019934033 555551315 /nfs/dbraw/zinc/55/13/15/555551315.db2.gz OKHGZVPNONHIGJ-SANMLTNESA-N -1 1 491.012 5.969 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1Br ZINC000013669601 555559606 /nfs/dbraw/zinc/55/96/06/555559606.db2.gz ZLMUSVJZLOVVGB-UHFFFAOYSA-N -1 1 498.851 6.204 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000013672767 555564252 /nfs/dbraw/zinc/56/42/52/555564252.db2.gz KIRRXIYVXXARKK-OAQYLSRUSA-N -1 1 478.658 6.201 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000013673480 555565248 /nfs/dbraw/zinc/56/52/48/555565248.db2.gz GREHUCBYAAQSDA-FQEVSTJZSA-N -1 1 464.631 5.893 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c1C ZINC000013675305 555566443 /nfs/dbraw/zinc/56/64/43/555566443.db2.gz IXJGGCGAXDMLAJ-NRFANRHFSA-N -1 1 478.658 6.201 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2C)cc1 ZINC000013679824 555571870 /nfs/dbraw/zinc/57/18/70/555571870.db2.gz PPCGPZQAZANOFG-UHFFFAOYSA-N -1 1 462.615 5.199 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2C)cc1 ZINC000013681242 555573937 /nfs/dbraw/zinc/57/39/37/555573937.db2.gz GUCDKQHFJFLBMR-UHFFFAOYSA-N -1 1 498.048 5.028 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2C)cc1 ZINC000013681753 555574993 /nfs/dbraw/zinc/57/49/93/555574993.db2.gz SNEDFZOQPQVQCR-UHFFFAOYSA-N -1 1 462.615 5.199 40 0 JKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1C ZINC000013682163 555575661 /nfs/dbraw/zinc/57/56/61/555575661.db2.gz UCBGMTMKYHFMOG-UHFFFAOYSA-N -1 1 473.392 5.048 40 0 JKABMM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)c1 ZINC000013683299 555576910 /nfs/dbraw/zinc/57/69/10/555576910.db2.gz YHXWECNLBFNIHQ-UHFFFAOYSA-N -1 1 485.414 5.045 40 0 JKABMM Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000020023366 555601205 /nfs/dbraw/zinc/60/12/05/555601205.db2.gz OFSWEHRNJMOSQS-UHFFFAOYSA-N -1 1 483.348 5.259 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000020024260 555602392 /nfs/dbraw/zinc/60/23/92/555602392.db2.gz IKBVEHMUSAPBQU-SFHVURJKSA-N -1 1 456.995 5.259 40 0 JKABMM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000010039357 555604637 /nfs/dbraw/zinc/60/46/37/555604637.db2.gz PIUNRWQXQVJNDG-IZZDOVSWSA-N -1 1 477.369 5.455 40 0 JKABMM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000010039267 555604650 /nfs/dbraw/zinc/60/46/50/555604650.db2.gz MFMIOBOGQGRFRK-RIYZIHGNSA-N -1 1 456.951 5.110 40 0 JKABMM CC(C)Oc1ccc(CCCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000020038768 555612490 /nfs/dbraw/zinc/61/24/90/555612490.db2.gz AXXOTPTUTXXRDB-UHFFFAOYSA-N -1 1 487.021 5.291 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)c1 ZINC000020040681 555613432 /nfs/dbraw/zinc/61/34/32/555613432.db2.gz SFAUSHKZYGYAND-KRWDZBQOSA-N -1 1 458.967 5.164 40 0 JKABMM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020043509 555615059 /nfs/dbraw/zinc/61/50/59/555615059.db2.gz JYTIWPLGGVJCSL-MRXNPFEDSA-N -1 1 492.519 5.475 40 0 JKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccc(C)cc1 ZINC000020043691 555615321 /nfs/dbraw/zinc/61/53/21/555615321.db2.gz ZEIISKFQHJVWBE-HSZRJFAPSA-N -1 1 456.995 5.639 40 0 JKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccc(C)cc1 ZINC000020043694 555615347 /nfs/dbraw/zinc/61/53/47/555615347.db2.gz ZEIISKFQHJVWBE-QHCPKHFHSA-N -1 1 456.995 5.639 40 0 JKABMM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013776390 555616475 /nfs/dbraw/zinc/61/64/75/555616475.db2.gz WYSNQLAPGDPWBR-PVHODMMVSA-N -1 1 486.568 5.234 40 0 JKABMM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)ccc1Cl ZINC000020045877 555616563 /nfs/dbraw/zinc/61/65/63/555616563.db2.gz WABXBVKHGMUUSW-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CCOC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)ccc1Cl ZINC000020045827 555616626 /nfs/dbraw/zinc/61/66/26/555616626.db2.gz VMEMVRJNJTYOLQ-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c1C ZINC000020048026 555618146 /nfs/dbraw/zinc/61/81/46/555618146.db2.gz RYCBBWVRIYLFIL-GOSISDBHSA-N -1 1 472.994 5.472 40 0 JKABMM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000020049426 555619139 /nfs/dbraw/zinc/61/91/39/555619139.db2.gz JTDLVWYAFPHLPJ-AWEZNQCLSA-N -1 1 495.384 5.209 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)ccc1C ZINC000020050517 555619752 /nfs/dbraw/zinc/61/97/52/555619752.db2.gz HRVBHCQIMSVBSH-MUUNZHRXSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000010112024 555624166 /nfs/dbraw/zinc/62/41/66/555624166.db2.gz AOFPKWJOQPBROP-LJQANCHMSA-N -1 1 450.604 5.584 40 0 JKABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1C ZINC000010112293 555625347 /nfs/dbraw/zinc/62/53/47/555625347.db2.gz PPTUSCJUTHCRJC-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000020104353 555636491 /nfs/dbraw/zinc/63/64/91/555636491.db2.gz GUEUTQLLPWSBIA-QFIPXVFZSA-N -1 1 472.994 5.554 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000020105049 555638032 /nfs/dbraw/zinc/63/80/32/555638032.db2.gz CHQOVGKVLIQJJV-UHFFFAOYSA-N -1 1 450.947 5.855 40 0 JKABMM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000020105528 555639081 /nfs/dbraw/zinc/63/90/81/555639081.db2.gz OQXQJWVOEZXIBG-HSZRJFAPSA-N -1 1 452.576 5.209 40 0 JKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020105629 555639296 /nfs/dbraw/zinc/63/92/96/555639296.db2.gz QVFVCSRONBPBLG-QFIPXVFZSA-N -1 1 493.412 5.899 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H](CC(C)C)c3ccccc3)c2)cc1 ZINC000020105977 555639677 /nfs/dbraw/zinc/63/96/77/555639677.db2.gz DWKJZECJNWZQJT-DEOSSOPVSA-N -1 1 471.022 5.966 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c2ccccc2)cc1 ZINC000020106794 555640240 /nfs/dbraw/zinc/64/02/40/555640240.db2.gz UERTYMJCCVBBNH-LJAQVGFWSA-N -1 1 498.648 6.240 40 0 JKABMM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000020106804 555640326 /nfs/dbraw/zinc/64/03/26/555640326.db2.gz FPHUJJRZLUTHJL-UHFFFAOYSA-N -1 1 485.605 6.808 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H](C)CCc3ccccc3)c2)cc1 ZINC000020107359 555640958 /nfs/dbraw/zinc/64/09/58/555640958.db2.gz YYFJOZDIXICYNF-GOSISDBHSA-N -1 1 456.995 5.200 40 0 JKABMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020108170 555642782 /nfs/dbraw/zinc/64/27/82/555642782.db2.gz RNLUMCRKBGSKLO-QHCPKHFHSA-N -1 1 472.994 5.554 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 ZINC000020108440 555643107 /nfs/dbraw/zinc/64/31/07/555643107.db2.gz FHNNRNYRJJBSNJ-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(OC(C)C)c3)c(Cl)c2)cc1 ZINC000020108332 555643116 /nfs/dbraw/zinc/64/31/16/555643116.db2.gz SGEOYLWPPGPOOR-UHFFFAOYSA-N -1 1 472.994 5.166 40 0 JKABMM CC(C)C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000020108705 555643764 /nfs/dbraw/zinc/64/37/64/555643764.db2.gz DJCVTLZBWOROII-QHCPKHFHSA-N -1 1 456.995 5.658 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c2ccccc2)cc1 ZINC000020110591 555646956 /nfs/dbraw/zinc/64/69/56/555646956.db2.gz MJUCNSQTPJZPJR-MHZLTWQESA-N -1 1 470.594 5.624 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)ccc2C)c1 ZINC000020111116 555647772 /nfs/dbraw/zinc/64/77/72/555647772.db2.gz YINYXEZUKBBXTK-MUUNZHRXSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2C)cc1 ZINC000010314275 555679472 /nfs/dbraw/zinc/67/94/72/555679472.db2.gz HWAHRFYLTHGQBO-UHFFFAOYSA-N -1 1 473.392 5.427 40 0 JKABMM Cc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314284 555679601 /nfs/dbraw/zinc/67/96/01/555679601.db2.gz RZGMDKBOKIZWHP-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Br)c(C)c3)c2C)cc1 ZINC000010314621 555680600 /nfs/dbraw/zinc/68/06/00/555680600.db2.gz VKSRSHQPZXFGLI-UHFFFAOYSA-N -1 1 473.392 5.427 40 0 JKABMM O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314644 555680621 /nfs/dbraw/zinc/68/06/21/555680621.db2.gz SUNJCOQWLJOSSI-UHFFFAOYSA-N -1 1 478.957 6.185 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Br)c3)cc2C)cc1 ZINC000010314742 555680865 /nfs/dbraw/zinc/68/08/65/555680865.db2.gz WKFSXBVFEOEQKJ-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000010314731 555680842 /nfs/dbraw/zinc/68/08/42/555680842.db2.gz KEOFXYWWDZSPPQ-HXUWFJFHSA-N -1 1 499.592 5.231 40 0 JKABMM Cc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314790 555680895 /nfs/dbraw/zinc/68/08/95/555680895.db2.gz UYOAAPXTWVQGEG-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Br)c(Cl)c3)c2C)cc1 ZINC000010314796 555680923 /nfs/dbraw/zinc/68/09/23/555680923.db2.gz TUJURYQWJOXHLS-UHFFFAOYSA-N -1 1 493.810 5.772 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000010314724 555680969 /nfs/dbraw/zinc/68/09/69/555680969.db2.gz IHGYZHQBMKUFKM-UHFFFAOYSA-N -1 1 488.634 6.340 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3cccc(C)c3)cc2C)cc1 ZINC000010314949 555681167 /nfs/dbraw/zinc/68/11/67/555681167.db2.gz AQIRFMHSCMMQIO-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000010314981 555681190 /nfs/dbraw/zinc/68/11/90/555681190.db2.gz VJKIRPPIHCJKAI-UHFFFAOYSA-N -1 1 486.637 6.509 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C)cc1 ZINC000010314939 555681369 /nfs/dbraw/zinc/68/13/69/555681369.db2.gz XSXUOIKPUUOQTF-UHFFFAOYSA-N -1 1 472.566 6.149 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2C)cc1 ZINC000010315034 555681710 /nfs/dbraw/zinc/68/17/10/555681710.db2.gz OFHBVZJCRTYQEC-UHFFFAOYSA-N -1 1 463.386 5.341 40 0 JKABMM O=C(Nc1ccc(Br)c(Cl)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010315223 555681990 /nfs/dbraw/zinc/68/19/90/555681990.db2.gz KHCZCFAYXSTZSM-UHFFFAOYSA-N -1 1 465.756 5.156 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000010315302 555682025 /nfs/dbraw/zinc/68/20/25/555682025.db2.gz OHHARKVCABQKDF-UHFFFAOYSA-N -1 1 458.539 5.840 40 0 JKABMM Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315214 555682045 /nfs/dbraw/zinc/68/20/45/555682045.db2.gz QQNMHIVOKKLLHB-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(c3ccccc3)c3ccccc3)c2C)cc1 ZINC000010328027 555686239 /nfs/dbraw/zinc/68/62/39/555686239.db2.gz OMNQUQDVOYYBHF-UHFFFAOYSA-N -1 1 470.594 5.624 40 0 JKABMM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000010331226 555687666 /nfs/dbraw/zinc/68/76/66/555687666.db2.gz TXYQWTNTLKXMOW-UHFFFAOYSA-N -1 1 456.995 5.836 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)cc1 ZINC000010332023 555688390 /nfs/dbraw/zinc/68/83/90/555688390.db2.gz YEQNPOJPZYTHAF-UHFFFAOYSA-N -1 1 456.567 6.024 40 0 JKABMM Cc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010335042 555690124 /nfs/dbraw/zinc/69/01/24/555690124.db2.gz ZQKPJUAIJWMAHK-UHFFFAOYSA-N -1 1 492.984 6.494 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2C)cc1 ZINC000010335082 555690139 /nfs/dbraw/zinc/69/01/39/555690139.db2.gz YPEUDJYVQIBMHG-UHFFFAOYSA-N -1 1 472.566 6.149 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3Oc3ccccc3)c2C)cc1 ZINC000010335649 555690753 /nfs/dbraw/zinc/69/07/53/555690753.db2.gz IBRIAMMYQGBGTC-UHFFFAOYSA-N -1 1 472.566 6.149 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000010335973 555691036 /nfs/dbraw/zinc/69/10/36/555691036.db2.gz OHGPWJHYKSTXAJ-UHFFFAOYSA-N -1 1 474.607 6.199 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2C)cc1 ZINC000010336223 555691230 /nfs/dbraw/zinc/69/12/30/555691230.db2.gz DSOLOHCQBKDAIJ-UHFFFAOYSA-N -1 1 486.593 5.936 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)cc1Cl ZINC000010338375 555692678 /nfs/dbraw/zinc/69/26/78/555692678.db2.gz IRCRESALZMEKBH-UHFFFAOYSA-N -1 1 485.049 6.318 40 0 JKABMM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000010339069 555693199 /nfs/dbraw/zinc/69/31/99/555693199.db2.gz KSHOSLOMLRFFQQ-UHFFFAOYSA-N -1 1 456.995 5.836 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Br)cc3)c2C)cc1 ZINC000010356945 555695510 /nfs/dbraw/zinc/69/55/10/555695510.db2.gz JRDRTDVAWVEIDT-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010357392 555695845 /nfs/dbraw/zinc/69/58/45/555695845.db2.gz KOMQDRSBDYNPCI-UHFFFAOYSA-N -1 1 472.566 5.627 40 0 JKABMM O=C(Nc1ccccc1Sc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010359323 555696493 /nfs/dbraw/zinc/69/64/93/555696493.db2.gz OZGJKCCQGYKTTK-UHFFFAOYSA-N -1 1 460.580 5.891 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Br)cc2C)cc1 ZINC000010364892 555697671 /nfs/dbraw/zinc/69/76/71/555697671.db2.gz CACSGYNHTMCFMC-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3Sc3ccccc3)ccc2C)cc1 ZINC000010371012 555699700 /nfs/dbraw/zinc/69/97/00/555699700.db2.gz WEJDLQRYYJRVAH-UHFFFAOYSA-N -1 1 488.634 6.508 40 0 JKABMM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000010371024 555699724 /nfs/dbraw/zinc/69/97/24/555699724.db2.gz DVNSPXXTGHEAKR-UHFFFAOYSA-N -1 1 471.022 6.010 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3Cl)ccc2C)c1 ZINC000014153221 555709071 /nfs/dbraw/zinc/70/90/71/555709071.db2.gz ULMNOYWPTSADNH-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)cc1 ZINC000014153467 555709356 /nfs/dbraw/zinc/70/93/56/555709356.db2.gz UZONXBNOSNDXDL-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000014153729 555710110 /nfs/dbraw/zinc/71/01/10/555710110.db2.gz BYJNLGTVHSAWON-UHFFFAOYSA-N -1 1 450.604 5.790 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2C)c1 ZINC000014153832 555710332 /nfs/dbraw/zinc/71/03/32/555710332.db2.gz HVJBIWKIZDLAEQ-UHFFFAOYSA-N -1 1 475.035 5.280 40 0 JKABMM Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000014154174 555711013 /nfs/dbraw/zinc/71/10/13/555711013.db2.gz ZGEYJJDFVAGDGG-UHFFFAOYSA-N -1 1 474.607 6.199 40 0 JKABMM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000014154184 555711024 /nfs/dbraw/zinc/71/10/24/555711024.db2.gz QFEAHFAHIFJCLS-NTEUORMPSA-N -1 1 460.477 5.467 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3)ccc2C)c1 ZINC000014154342 555711651 /nfs/dbraw/zinc/71/16/51/555711651.db2.gz HHVJIJXGPPWPQR-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccccc1CSCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000014154892 555712485 /nfs/dbraw/zinc/71/24/85/555712485.db2.gz IWSKYOMTCCETBT-UHFFFAOYSA-N -1 1 482.671 5.384 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000014155074 555712751 /nfs/dbraw/zinc/71/27/51/555712751.db2.gz HUSIRVGIONBGPA-UHFFFAOYSA-N -1 1 478.998 5.460 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2C)cc1C ZINC000014155070 555712759 /nfs/dbraw/zinc/71/27/59/555712759.db2.gz XAOONBPSYLJDCM-UHFFFAOYSA-N -1 1 477.413 5.649 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3[O-])oc2c(C)c1 ZINC000014270169 555761422 /nfs/dbraw/zinc/76/14/22/555761422.db2.gz KRXDBDGAFBFADC-UHFFFAOYSA-N -1 1 465.962 5.906 40 0 JKABMM COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000014270192 555761477 /nfs/dbraw/zinc/76/14/77/555761477.db2.gz ZAEGOXNRTVPLNY-UHFFFAOYSA-N -1 1 461.543 5.261 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)cc3[O-])oc2c1 ZINC000014270138 555761486 /nfs/dbraw/zinc/76/14/86/555761486.db2.gz DMTLOYYTVXLOPM-UHFFFAOYSA-N -1 1 472.353 5.942 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)cc3[O-])oc2c(C)c1 ZINC000014270176 555761511 /nfs/dbraw/zinc/76/15/11/555761511.db2.gz VCQHSOXCMLYNNN-UHFFFAOYSA-N -1 1 459.571 6.067 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5ccccc5c4)cc3[O-])nc2c1 ZINC000014270210 555761546 /nfs/dbraw/zinc/76/15/46/555761546.db2.gz JHBBOJQPICCAQP-UHFFFAOYSA-N -1 1 467.550 6.043 40 0 JKABMM CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)c1 ZINC000014270148 555761591 /nfs/dbraw/zinc/76/15/91/555761591.db2.gz RZQMITOFYFJKNA-UHFFFAOYSA-N -1 1 461.543 5.424 40 0 JKABMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1Cl ZINC000014275015 555779011 /nfs/dbraw/zinc/77/90/11/555779011.db2.gz OWKCFVAEOSEFEK-UHFFFAOYSA-N -1 1 481.961 5.688 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)cc3[O-])oc2c1 ZINC000014275025 555779040 /nfs/dbraw/zinc/77/90/40/555779040.db2.gz QYHJSONOPFQJTC-UHFFFAOYSA-N -1 1 479.561 6.303 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)cc3[O-])oc2c(C)c1 ZINC000014275037 555779048 /nfs/dbraw/zinc/77/90/48/555779048.db2.gz SYYMJMRABXUNKU-UHFFFAOYSA-N -1 1 486.380 6.251 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)cc3[O-])nc2c1 ZINC000014275066 555779344 /nfs/dbraw/zinc/77/93/44/555779344.db2.gz RPLLHIUWINUOQZ-UHFFFAOYSA-N -1 1 486.380 6.196 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)cc1Cl ZINC000014396182 555801945 /nfs/dbraw/zinc/80/19/45/555801945.db2.gz ZJCNNYADSBOROX-UHFFFAOYSA-N -1 1 458.967 5.247 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c1 ZINC000014396587 555802159 /nfs/dbraw/zinc/80/21/59/555802159.db2.gz UMHSKFVMPLRKQP-KRWDZBQOSA-N -1 1 458.967 5.164 40 0 JKABMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000014396642 555802547 /nfs/dbraw/zinc/80/25/47/555802547.db2.gz PEQNGGYNDLEOSM-KRWDZBQOSA-N -1 1 480.973 5.700 40 0 JKABMM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc(C)c1Cl ZINC000014396971 555802861 /nfs/dbraw/zinc/80/28/61/555802861.db2.gz VSFNFGWIRKKTCG-INIZCTEOSA-N -1 1 493.412 5.817 40 0 JKABMM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1 ZINC000014399500 555804852 /nfs/dbraw/zinc/80/48/52/555804852.db2.gz YNZVEBNISAQCMT-UHFFFAOYSA-N -1 1 458.967 5.084 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000014400621 555806163 /nfs/dbraw/zinc/80/61/63/555806163.db2.gz JVXSFZZMIGXDRD-UHFFFAOYSA-N -1 1 484.021 5.692 40 0 JKABMM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000014401291 555806501 /nfs/dbraw/zinc/80/65/01/555806501.db2.gz UBJCKWKXZYQLQC-UHFFFAOYSA-N -1 1 460.555 5.275 40 0 JKABMM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000014400874 555806508 /nfs/dbraw/zinc/80/65/08/555806508.db2.gz SNFQQLZHYSRUOU-ZDUSSCGKSA-N -1 1 483.348 5.339 40 0 JKABMM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000014400872 555806608 /nfs/dbraw/zinc/80/66/08/555806608.db2.gz SNFQQLZHYSRUOU-CYBMUJFWSA-N -1 1 483.348 5.339 40 0 JKABMM [O-]c1cccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)c1Cl ZINC000015015746 555856175 /nfs/dbraw/zinc/85/61/75/555856175.db2.gz SAOMKGMGZJLNKX-OAQYLSRUSA-N -1 1 466.925 5.832 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022109791 555876459 /nfs/dbraw/zinc/87/64/59/555876459.db2.gz PSICSHZRWVKWDS-UHFFFAOYSA-N -1 1 467.820 5.632 40 0 JKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022109989 555876854 /nfs/dbraw/zinc/87/68/54/555876854.db2.gz VYRDJUHIUYEADL-UHFFFAOYSA-N -1 1 457.386 6.237 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000022109851 555876871 /nfs/dbraw/zinc/87/68/71/555876871.db2.gz ICNCLLXNPSKFIV-UHFFFAOYSA-N -1 1 481.391 5.126 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022109899 555876913 /nfs/dbraw/zinc/87/69/13/555876913.db2.gz GMJIJFXWQBICEE-UHFFFAOYSA-N -1 1 487.840 6.185 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022109891 555876926 /nfs/dbraw/zinc/87/69/26/555876926.db2.gz FSSRYAAECPSYEQ-UHFFFAOYSA-N -1 1 453.395 5.531 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000022110011 555876937 /nfs/dbraw/zinc/87/69/37/555876937.db2.gz PBFRHZYKBQXEKU-UHFFFAOYSA-N -1 1 497.418 5.701 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000022110300 555877198 /nfs/dbraw/zinc/87/71/98/555877198.db2.gz WRHYJYDRXGNROB-UHFFFAOYSA-N -1 1 487.412 6.246 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1c(F)cccc1Cl ZINC000022110310 555877309 /nfs/dbraw/zinc/87/73/09/555877309.db2.gz XENNLWOKFRZTEI-UHFFFAOYSA-N -1 1 470.957 5.731 40 0 JKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022110579 555877503 /nfs/dbraw/zinc/87/75/03/555877503.db2.gz MZKNYVJZGFBGRB-UHFFFAOYSA-N -1 1 458.374 5.632 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)ccc1OCc1ccc(Cl)cc1 ZINC000022110757 555877870 /nfs/dbraw/zinc/87/78/70/555877870.db2.gz AMCMGTCXJBTXJL-UHFFFAOYSA-N -1 1 497.020 5.991 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022110802 555877884 /nfs/dbraw/zinc/87/78/84/555877884.db2.gz PLTXCWFPCAVOQS-UHFFFAOYSA-N -1 1 452.967 5.592 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccccc1Cl ZINC000022110653 555877960 /nfs/dbraw/zinc/87/79/60/555877960.db2.gz ZNYXZLMDEMNCNU-UHFFFAOYSA-N -1 1 482.993 5.601 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)ccc1OCc1ccccc1Cl ZINC000022110765 555877978 /nfs/dbraw/zinc/87/79/78/555877978.db2.gz AOHANJOIVMPKNU-UHFFFAOYSA-N -1 1 497.020 5.991 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)ccc1OCc1ccccc1 ZINC000022110749 555878005 /nfs/dbraw/zinc/87/80/05/555878005.db2.gz XLNPBBWKDSJFRX-UHFFFAOYSA-N -1 1 462.575 5.338 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000022111107 555878172 /nfs/dbraw/zinc/87/81/72/555878172.db2.gz LPVVLJMBWHPXIR-UHFFFAOYSA-N -1 1 486.572 6.231 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000022111194 555878556 /nfs/dbraw/zinc/87/85/56/555878556.db2.gz AOTLUBHDQUZSJZ-UHFFFAOYSA-N -1 1 462.575 5.256 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000022111244 555878624 /nfs/dbraw/zinc/87/86/24/555878624.db2.gz YCMSEBISMIBGHL-UHFFFAOYSA-N -1 1 482.993 5.601 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1c(F)cccc1Cl ZINC000022111220 555878641 /nfs/dbraw/zinc/87/86/41/555878641.db2.gz PDMYSUINNAPDQP-UHFFFAOYSA-N -1 1 471.945 5.126 40 0 JKABMM CCOc1cc(CNn2c(C)n[n-]c2=S)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022112347 555879166 /nfs/dbraw/zinc/87/91/66/555879166.db2.gz AHJOWDPRSITFJW-UHFFFAOYSA-N -1 1 483.819 5.386 40 0 JKABMM O=S(=O)([N-]c1ccc(Oc2ccc(C3CCCCC3)cc2)c(C(F)(F)F)c1)c1ccccc1 ZINC000015277140 555892594 /nfs/dbraw/zinc/89/25/94/555892594.db2.gz ILMQKTNAVAINOP-UHFFFAOYSA-N -1 1 475.532 7.346 40 0 JKABMM Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)cc1 ZINC000022255295 555903240 /nfs/dbraw/zinc/90/32/40/555903240.db2.gz TYWCIHHBXGCSSE-UHFFFAOYSA-N -1 1 455.624 5.894 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000022522985 555930892 /nfs/dbraw/zinc/93/08/92/555930892.db2.gz DYBLFRIEXILZMN-VWLOTQADSA-N -1 1 466.603 5.322 40 0 JKABMM [O-]c1cc2c(cc1Cl)[C@@H](c1ccccc1)[C@H]1CCC[C@@H]3[C@H](c4ccccc4)NC(=S)N[C@@]31O2 ZINC000012376196 555963562 /nfs/dbraw/zinc/96/35/62/555963562.db2.gz OJVFCCKMQFSLLN-AIRFFMTBSA-N -1 1 477.029 5.902 40 0 JKABMM CCCOc1ccc(NCCC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000012411342 555976830 /nfs/dbraw/zinc/97/68/30/555976830.db2.gz FPXTVRIKUPRGEE-UHFFFAOYSA-N -1 1 452.576 5.270 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000015892033 556061082 /nfs/dbraw/zinc/06/10/82/556061082.db2.gz UHRWBJVIJVKWAI-UHFFFAOYSA-N -1 1 451.331 5.055 40 0 JKABMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000012682349 556102072 /nfs/dbraw/zinc/10/20/72/556102072.db2.gz KWEZPXOKVMNOMW-DOEIMJQGSA-N -1 1 454.979 5.273 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)cc2C ZINC000016779640 556159443 /nfs/dbraw/zinc/15/94/43/556159443.db2.gz SDHGNVLVNXYJAV-UHFFFAOYSA-N -1 1 480.561 5.672 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000016779632 556159463 /nfs/dbraw/zinc/15/94/63/556159463.db2.gz UITWQECRPSMNCU-UHFFFAOYSA-N -1 1 497.016 6.187 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)cc2C ZINC000016807667 556162364 /nfs/dbraw/zinc/16/23/64/556162364.db2.gz BVWLPPNIAFITMS-UHFFFAOYSA-N -1 1 496.560 5.373 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000016807669 556162454 /nfs/dbraw/zinc/16/24/54/556162454.db2.gz UBCPUQJYGIHESG-UHFFFAOYSA-N -1 1 496.560 5.373 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000016807630 556162480 /nfs/dbraw/zinc/16/24/80/556162480.db2.gz VIVVNZQGLTZJNF-UHFFFAOYSA-N -1 1 462.571 5.533 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccccc1)cc2Cl ZINC000016807650 556162492 /nfs/dbraw/zinc/16/24/92/556162492.db2.gz VJYMSUZPHDJZPY-UHFFFAOYSA-N -1 1 498.988 5.578 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118352 556247632 /nfs/dbraw/zinc/24/76/32/556247632.db2.gz MRYHRMILIOVMCG-UHFFFAOYSA-N -1 1 473.447 5.388 40 0 JKABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000026119129 556248262 /nfs/dbraw/zinc/24/82/62/556248262.db2.gz YYKHTWAGCZZWHT-UHFFFAOYSA-N -1 1 460.665 5.424 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1C(=O)N1CCCCCC1 ZINC000026119665 556248566 /nfs/dbraw/zinc/24/85/66/556248566.db2.gz KYINSNQSTDZCOF-UHFFFAOYSA-N -1 1 454.617 5.379 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1C(=O)N1CCCCCC1 ZINC000026120036 556248801 /nfs/dbraw/zinc/24/88/01/556248801.db2.gz IDNBJBCEODTQLY-UHFFFAOYSA-N -1 1 453.029 5.187 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000026779996 556262150 /nfs/dbraw/zinc/26/21/50/556262150.db2.gz PWELGHSTBRCSTP-UHFFFAOYSA-N -1 1 450.347 5.747 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000026779998 556262193 /nfs/dbraw/zinc/26/21/93/556262193.db2.gz CGDCSIVLPULAHT-UHFFFAOYSA-N -1 1 483.899 6.112 40 0 JKABMM O=[P@]([O-])(O)[C@@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000027987271 556310900 /nfs/dbraw/zinc/31/09/00/556310900.db2.gz JNJYLQHGKLUTIX-GDLZYMKVSA-N -1 1 495.519 6.172 40 0 JKABMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206963 556317737 /nfs/dbraw/zinc/31/77/37/556317737.db2.gz GISWYOIZBAIDDO-AWEZNQCLSA-N -1 1 461.370 5.386 40 0 JKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028207143 556317966 /nfs/dbraw/zinc/31/79/66/556317966.db2.gz LWOHAUWJVJJPMZ-IBGZPJMESA-N -1 1 492.597 5.036 40 0 JKABMM CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000030751304 556371274 /nfs/dbraw/zinc/37/12/74/556371274.db2.gz OFSGMSBUWQFQNM-KRWDZBQOSA-N -1 1 472.994 5.670 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c2ccccc2)cc1 ZINC000030756955 556373479 /nfs/dbraw/zinc/37/34/79/556373479.db2.gz ODIYTQCIJJMVRA-LJAQVGFWSA-N -1 1 498.648 6.240 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000030847790 556376155 /nfs/dbraw/zinc/37/61/55/556376155.db2.gz BPUDCXWIFXXICY-UHFFFAOYSA-N -1 1 483.804 5.686 40 0 JKABMM CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000030850354 556377230 /nfs/dbraw/zinc/37/72/30/556377230.db2.gz OSHZPXXTTCQGTH-FQEVSTJZSA-N -1 1 488.609 6.170 40 0 JKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000030850605 556377348 /nfs/dbraw/zinc/37/73/48/556377348.db2.gz VVXMQPKXBVRUIV-UHFFFAOYSA-N -1 1 487.419 5.800 40 0 JKABMM CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000030850358 556377359 /nfs/dbraw/zinc/37/73/59/556377359.db2.gz OSHZPXXTTCQGTH-HXUWFJFHSA-N -1 1 488.609 6.170 40 0 JKABMM Cc1ccc(CSCCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000030854303 556379380 /nfs/dbraw/zinc/37/93/80/556379380.db2.gz BJNIUUDNGVPHPK-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000030857604 556380602 /nfs/dbraw/zinc/38/06/02/556380602.db2.gz KBLWPVUHDCUFEQ-UHFFFAOYSA-N -1 1 478.595 5.380 40 0 JKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccc(OC)cc1 ZINC000030863373 556382545 /nfs/dbraw/zinc/38/25/45/556382545.db2.gz OWGSHNDBBSKEQI-QFIPXVFZSA-N -1 1 458.967 5.031 40 0 JKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000030865635 556383158 /nfs/dbraw/zinc/38/31/58/556383158.db2.gz YHTSJTGYWYJREU-OAHLLOKOSA-N -1 1 477.007 5.269 40 0 JKABMM Cc1cc(CSc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000030868036 556383749 /nfs/dbraw/zinc/38/37/49/556383749.db2.gz HVGHZMVWDNLCOX-UHFFFAOYSA-N -1 1 452.601 5.215 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 ZINC000030869683 556384796 /nfs/dbraw/zinc/38/47/96/556384796.db2.gz LLNKJUHLRQUYLJ-UHFFFAOYSA-N -1 1 456.995 6.133 40 0 JKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000030870770 556385212 /nfs/dbraw/zinc/38/52/12/556385212.db2.gz NLGIBLKUQPTGAR-UHFFFAOYSA-N -1 1 477.007 5.189 40 0 JKABMM CC1=C[C@@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000072320929 560077162 /nfs/dbraw/zinc/07/71/62/560077162.db2.gz HEECRNAFWPZGGI-ONTIZHBOSA-N -1 1 483.628 5.641 40 0 biogenic,in-vitro JKABMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000033482937 569626971 /nfs/dbraw/zinc/62/69/71/569626971.db2.gz NRGNHPQOVIUJBP-UHFFFAOYSA-N -1 1 487.002 5.403 40 0 JKABMM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000033655406 569629791 /nfs/dbraw/zinc/62/97/91/569629791.db2.gz BPNLJZQGDYCUED-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2C)c1C ZINC000033722612 569632183 /nfs/dbraw/zinc/63/21/83/569632183.db2.gz HTLYQTIAJRANHE-UHFFFAOYSA-N -1 1 498.648 6.255 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(Cl)cc1 ZINC000033726724 569632301 /nfs/dbraw/zinc/63/23/01/569632301.db2.gz CBUZCTDPRMUQHE-UHFFFAOYSA-N -1 1 485.776 5.465 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c1C ZINC000034865677 569668030 /nfs/dbraw/zinc/66/80/30/569668030.db2.gz AOXOWSWJVYZSDT-UHFFFAOYSA-N -1 1 462.493 5.684 40 0 JKABMM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)C(=O)NC2=S)cc1 ZINC000035169082 569677266 /nfs/dbraw/zinc/67/72/66/569677266.db2.gz DRYAODWBZHZHHC-DEDYPNTBSA-N -1 1 460.511 5.187 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C)cc1 ZINC000035189986 569677906 /nfs/dbraw/zinc/67/79/06/569677906.db2.gz GYLPNVCKOSXYNH-UHFFFAOYSA-N -1 1 472.566 6.149 40 0 JKABMM CCc1cc(CN2CC(C(=O)[O-])C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000073277269 569704442 /nfs/dbraw/zinc/70/44/42/569704442.db2.gz DWVJASHDNJMDNH-UHFFFAOYSA-N -1 1 461.543 5.336 40 0 in-vitro JKABMM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](O)CC([O-])(C(F)(F)F)C(F)(F)F ZINC000095680477 569728568 /nfs/dbraw/zinc/72/85/68/569728568.db2.gz OHKBOEWLASAFLW-WKBNOSBISA-N -1 1 484.521 5.533 40 0 JKABMM CCC(C)(C)[C@@H]1CC[C@@H]2Oc3c(cc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)c4ccccc34)[C@H]2C1 ZINC000036345412 569767865 /nfs/dbraw/zinc/76/78/65/569767865.db2.gz XSBUJIPBMPLAHN-LQCMOVKCSA-N -1 1 491.697 7.845 40 0 JKABMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1ccccc1 ZINC000100927474 569776144 /nfs/dbraw/zinc/77/61/44/569776144.db2.gz WIGPEUXUNPHFLE-UIOOFZCWSA-N -1 1 464.569 5.465 40 0 JKABMM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000038753609 569806495 /nfs/dbraw/zinc/80/64/95/569806495.db2.gz OUDMADIKTJGMFT-FQEVSTJZSA-N -1 1 452.576 5.127 40 0 JKABMM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000038753607 569806542 /nfs/dbraw/zinc/80/65/42/569806542.db2.gz OUDMADIKTJGMFT-HXUWFJFHSA-N -1 1 452.576 5.127 40 0 JKABMM COc1cc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c(OC)cc1Cl ZINC000038754034 569806642 /nfs/dbraw/zinc/80/66/42/569806642.db2.gz KQQGSIQMEDOAPO-UHFFFAOYSA-N -1 1 481.357 5.064 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)ccc2C)cc1 ZINC000038755318 569807032 /nfs/dbraw/zinc/80/70/32/569807032.db2.gz AJOBJCQBAMWNPD-MUUNZHRXSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)cc3F)c(Cl)c2)cc1 ZINC000038756151 569807305 /nfs/dbraw/zinc/80/73/05/569807305.db2.gz NSWTYPYYEMJRIW-UHFFFAOYSA-N -1 1 497.773 5.603 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2C)c1 ZINC000038771287 569807493 /nfs/dbraw/zinc/80/74/93/569807493.db2.gz ZANUVBHEDWLIIJ-RUZDIDTESA-N -1 1 464.631 5.930 40 0 JKABMM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000038772112 569807666 /nfs/dbraw/zinc/80/76/66/569807666.db2.gz RULPSQRJDLGWIV-HSZRJFAPSA-N -1 1 452.576 5.209 40 0 JKABMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000038772160 569807695 /nfs/dbraw/zinc/80/76/95/569807695.db2.gz NVPXZLMDTNVZJB-KRWDZBQOSA-N -1 1 480.973 5.700 40 0 JKABMM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706789 569816601 /nfs/dbraw/zinc/81/66/01/569816601.db2.gz RQHFDMPZWSUWKG-DSITVLBTSA-N -1 1 499.364 5.653 40 0 JKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102751792 569820896 /nfs/dbraw/zinc/82/08/96/569820896.db2.gz TWAUFHMPHXIOKH-KWXIBIRDSA-N -1 1 486.568 5.234 40 0 JKABMM Cc1nc2nc(N3c4ccccc4C[C@H]3C)[n-]c(=O)c2c(=S)n1-c1cc(Cl)cc(Cl)c1 ZINC000040386941 569824402 /nfs/dbraw/zinc/82/44/02/569824402.db2.gz VOBKAEWILCKJBQ-LLVKDONJSA-N -1 1 470.385 5.536 40 0 JKABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)CC(=O)N3)cc1 ZINC000040400427 569827569 /nfs/dbraw/zinc/82/75/69/569827569.db2.gz MQVKPUOUIFAJNT-IBGZPJMESA-N -1 1 497.580 5.038 40 0 JKABMM CCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000105518541 569853103 /nfs/dbraw/zinc/85/31/03/569853103.db2.gz OGWMAUSLAKEAAU-CLJLJLNGSA-N -1 1 480.568 5.247 40 0 JKABMM O=S(=O)([N-]c1ccc(Br)c(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000107396380 569856476 /nfs/dbraw/zinc/85/64/76/569856476.db2.gz JBJIULGSDHBUCA-UHFFFAOYSA-N -1 1 459.081 5.031 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2C)cc1C ZINC000107964900 569858120 /nfs/dbraw/zinc/85/81/20/569858120.db2.gz JSWMKPGKFYXYMD-UHFFFAOYSA-N -1 1 473.392 5.427 40 0 JKABMM O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214789693 569876972 /nfs/dbraw/zinc/87/69/72/569876972.db2.gz YNEZXYXOABRPFI-VIZOYTHASA-N -1 1 459.148 5.698 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccc(C)cc1 ZINC000216236423 569877912 /nfs/dbraw/zinc/87/79/12/569877912.db2.gz UJHGPEHGOJWZLP-DEOSSOPVSA-N -1 1 450.604 5.602 40 0 JKABMM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000216259340 569877976 /nfs/dbraw/zinc/87/79/76/569877976.db2.gz CYZTZNCMBMLORF-AREMUKBSSA-N -1 1 488.609 6.054 40 0 JKABMM Cc1cc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)ccc1Br ZINC000216264227 569878058 /nfs/dbraw/zinc/87/80/58/569878058.db2.gz LQQKNFQRDCCNTH-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCC(Cc4ccccc4)CC3)c2)cc1 ZINC000216299174 569878191 /nfs/dbraw/zinc/87/81/91/569878191.db2.gz DIWWBWSMBNFGHY-UHFFFAOYSA-N -1 1 483.033 5.544 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000216292914 569878219 /nfs/dbraw/zinc/87/82/19/569878219.db2.gz CIMODMMLOVWVLS-SANMLTNESA-N -1 1 480.630 5.630 40 0 JKABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000216307749 569878278 /nfs/dbraw/zinc/87/82/78/569878278.db2.gz KGUQLFRIRPOFEC-OAQYLSRUSA-N -1 1 493.412 5.899 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c(Cl)c1 ZINC000216344735 569878435 /nfs/dbraw/zinc/87/84/35/569878435.db2.gz PEJZRJPGMOUUPY-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM O=C(Nc1ccccc1C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216361933 569878482 /nfs/dbraw/zinc/87/84/82/569878482.db2.gz AIWQTCNCBVNMPE-UHFFFAOYSA-N -1 1 454.857 5.412 40 0 JKABMM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000216375529 569878532 /nfs/dbraw/zinc/87/85/32/569878532.db2.gz TXDPXIJJXIIGDO-VWLOTQADSA-N -1 1 474.582 5.745 40 0 JKABMM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000216434659 569878844 /nfs/dbraw/zinc/87/88/44/569878844.db2.gz YGDTVENWVUFQKF-AREMUKBSSA-N -1 1 488.609 6.054 40 0 JKABMM Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000216438793 569878850 /nfs/dbraw/zinc/87/88/50/569878850.db2.gz HKARIFBZVSJGDD-LJQANCHMSA-N -1 1 460.555 5.355 40 0 JKABMM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000216434688 569878867 /nfs/dbraw/zinc/87/88/67/569878867.db2.gz YGDTVENWVUFQKF-SANMLTNESA-N -1 1 488.609 6.054 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 ZINC000216437804 569878877 /nfs/dbraw/zinc/87/88/77/569878877.db2.gz WTQIQDQPTQZIQT-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c2ccccc2)cc1 ZINC000216440903 569878894 /nfs/dbraw/zinc/87/88/94/569878894.db2.gz LZUGAOCRWDQLRV-NDEPHWFRSA-N -1 1 484.621 5.932 40 0 JKABMM CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000216484287 569879068 /nfs/dbraw/zinc/87/90/68/569879068.db2.gz RPNAXPZLQZMNPS-FQEVSTJZSA-N -1 1 466.603 5.302 40 0 JKABMM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c([O-])c(Cl)c3Br)N21 ZINC000222673513 569888234 /nfs/dbraw/zinc/88/82/34/569888234.db2.gz CFWKEYLMPKPARW-FDOKIQAASA-N -1 1 468.804 5.191 40 0 JKABMM C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000222837478 569892293 /nfs/dbraw/zinc/89/22/93/569892293.db2.gz AEQZADLJLCJNNB-OAHLLOKOSA-N -1 1 491.396 5.151 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2C)cc1C ZINC000222849626 569892684 /nfs/dbraw/zinc/89/26/84/569892684.db2.gz ZKFNDRNEQISVKX-UHFFFAOYSA-N -1 1 458.583 5.496 40 0 JKABMM O=C(NCc1cccc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000222870942 569893189 /nfs/dbraw/zinc/89/31/89/569893189.db2.gz BKXYQQGXVBZKRD-UHFFFAOYSA-N -1 1 450.947 5.224 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N3CCc4cc(Br)ccc43)cc2)cc1 ZINC000222874257 569893243 /nfs/dbraw/zinc/89/32/43/569893243.db2.gz VBGGCYDSWMFEAI-UHFFFAOYSA-N -1 1 499.430 5.080 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1 ZINC000222933041 569894810 /nfs/dbraw/zinc/89/48/10/569894810.db2.gz OJLMTJBXGNLQKY-FQEVSTJZSA-N -1 1 462.615 5.474 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1 ZINC000222933791 569894812 /nfs/dbraw/zinc/89/48/12/569894812.db2.gz HWIMEAUMFIADTO-NRFANRHFSA-N -1 1 476.642 5.782 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1C ZINC000222933321 569894835 /nfs/dbraw/zinc/89/48/35/569894835.db2.gz HWIXTFLFKPWBBK-NRFANRHFSA-N -1 1 476.642 5.782 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1NC(C)=O ZINC000223097638 569899387 /nfs/dbraw/zinc/89/93/87/569899387.db2.gz RSXYEZVVLMOGDP-UHFFFAOYSA-N -1 1 496.654 5.696 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)c1 ZINC000223182497 569902438 /nfs/dbraw/zinc/90/24/38/569902438.db2.gz NHDHESIFBJVOFQ-FQEVSTJZSA-N -1 1 462.615 5.392 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)c1 ZINC000223182629 569902440 /nfs/dbraw/zinc/90/24/40/569902440.db2.gz RCORYMRONQOVKV-FQEVSTJZSA-N -1 1 462.615 5.392 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2C)c1 ZINC000223241892 569904641 /nfs/dbraw/zinc/90/46/41/569904641.db2.gz SNQYXMSSUZBGAE-UHFFFAOYSA-N -1 1 476.520 5.361 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)Cc3ccccc3)c(Cl)c2)cc1 ZINC000223287509 569906256 /nfs/dbraw/zinc/90/62/56/569906256.db2.gz LXMPYSJZHSGHEB-UHFFFAOYSA-N -1 1 456.995 5.200 40 0 JKABMM COc1cc(C)c([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1C(C)C ZINC000223312508 569906986 /nfs/dbraw/zinc/90/69/86/569906986.db2.gz WXQZTESRYRTYCX-FQEVSTJZSA-N -1 1 480.630 5.727 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1C(C)C ZINC000223312874 569907024 /nfs/dbraw/zinc/90/70/24/569907024.db2.gz LLCCVIUEXOSKSZ-OAQYLSRUSA-N -1 1 494.657 6.036 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C(C)C ZINC000223312308 569907030 /nfs/dbraw/zinc/90/70/30/569907030.db2.gz ZGGHVEYDRBPPRH-LJQANCHMSA-N -1 1 466.603 5.419 40 0 JKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c2ccccc2O1 ZINC000223323511 569907519 /nfs/dbraw/zinc/90/75/19/569907519.db2.gz MNHNMGKTTWPSQX-RUZDIDTESA-N -1 1 492.641 5.917 40 0 JKABMM 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Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409171843 570155197 /nfs/dbraw/zinc/15/51/97/570155197.db2.gz BULPFPVFFLGXEJ-QGZVFWFLSA-N -1 1 475.035 5.877 40 0 JKABMM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409173112 570155553 /nfs/dbraw/zinc/15/55/53/570155553.db2.gz JVQYHWZOIVAKFJ-UHFFFAOYSA-N -1 1 475.035 5.879 40 0 JKABMM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000409176938 570157296 /nfs/dbraw/zinc/15/72/96/570157296.db2.gz BOVPOIYFXHQZRN-UHFFFAOYSA-N -1 1 494.560 5.936 40 0 JKABMM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000409178817 570158087 /nfs/dbraw/zinc/15/80/87/570158087.db2.gz ISHZNNJOINSBPT-OAHLLOKOSA-N -1 1 495.453 6.222 40 0 JKABMM Cc1n[nH]c(SC(=Cc2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])n1 ZINC000409187726 570160961 /nfs/dbraw/zinc/16/09/61/570160961.db2.gz AZCSDSQCUAGQGT-JAIQZWGSSA-N -1 1 483.391 5.405 40 0 JKABMM 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CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408530403 570187615 /nfs/dbraw/zinc/18/76/15/570187615.db2.gz KVWAGFSZNZGBFD-UHFFFAOYSA-N -1 1 479.385 5.374 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(Cl)c1 ZINC000408533108 570188895 /nfs/dbraw/zinc/18/88/95/570188895.db2.gz PTDALZKXTUCGLM-UHFFFAOYSA-N -1 1 485.776 5.465 40 0 JKABMM Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408533216 570188948 /nfs/dbraw/zinc/18/89/48/570188948.db2.gz QBWHMJKJTDPCAP-UHFFFAOYSA-N -1 1 499.803 5.774 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NCc1ccc(Cl)cc1 ZINC000408536097 570190298 /nfs/dbraw/zinc/19/02/98/570190298.db2.gz YCKNFQRUZZVWLV-UHFFFAOYSA-N -1 1 499.803 5.143 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)cc1C ZINC000408544107 570192448 /nfs/dbraw/zinc/19/24/48/570192448.db2.gz HHMFWMIRDCRPQS-UHFFFAOYSA-N -1 1 496.938 6.337 40 0 JKABMM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000408544712 570192495 /nfs/dbraw/zinc/19/24/95/570192495.db2.gz IXNWNNXUBYOXRT-UHFFFAOYSA-N -1 1 486.977 5.105 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3c(F)cccc3Cl)cc2)c1 ZINC000408545908 570193045 /nfs/dbraw/zinc/19/30/45/570193045.db2.gz BHMCOJRCTGNGDV-UHFFFAOYSA-N -1 1 493.025 5.769 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2C)c(C)c1 ZINC000408546107 570193234 /nfs/dbraw/zinc/19/32/34/570193234.db2.gz CGASJNMWFAFMIT-UHFFFAOYSA-N -1 1 489.062 5.588 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1C ZINC000408546401 570193313 /nfs/dbraw/zinc/19/33/13/570193313.db2.gz SCBFNKYRUKKUBO-UHFFFAOYSA-N -1 1 498.048 5.028 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C)c1 ZINC000408546796 570193509 /nfs/dbraw/zinc/19/35/09/570193509.db2.gz VYOGAWBHDIYPHO-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCC(C)C)ccc2C)cc1C ZINC000408547838 570193980 /nfs/dbraw/zinc/19/39/80/570193980.db2.gz NQHZKSDFWBIBCH-UHFFFAOYSA-N -1 1 493.629 5.051 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408550913 570195133 /nfs/dbraw/zinc/19/51/33/570195133.db2.gz IHAITNOKECCNBM-UHFFFAOYSA-N -1 1 465.358 5.364 40 0 JKABMM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 ZINC000408552742 570195636 /nfs/dbraw/zinc/19/56/36/570195636.db2.gz NLNZBFRVXPPOHE-HNNXBMFYSA-N -1 1 479.385 5.050 40 0 JKABMM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000408553257 570195789 /nfs/dbraw/zinc/19/57/89/570195789.db2.gz PMEADEWFEWRTOG-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408553266 570195800 /nfs/dbraw/zinc/19/58/00/570195800.db2.gz PMWLJUPPTNJRDL-UHFFFAOYSA-N -1 1 479.385 5.374 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408554005 570196137 /nfs/dbraw/zinc/19/61/37/570196137.db2.gz XZRZWLNGADVPOE-UHFFFAOYSA-N -1 1 466.946 5.555 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1NC(=O)c1ccccc1F ZINC000408554574 570196343 /nfs/dbraw/zinc/19/63/43/570196343.db2.gz CIKYUHHRMCAMGR-UHFFFAOYSA-N -1 1 464.518 5.431 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408555142 570196736 /nfs/dbraw/zinc/19/67/36/570196736.db2.gz DUYQYJSUQGAOOO-UHFFFAOYSA-N -1 1 484.883 5.421 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1c(F)cccc1F ZINC000408555688 570196955 /nfs/dbraw/zinc/19/69/55/570196955.db2.gz HECNXYMSOIXBOH-UHFFFAOYSA-N -1 1 487.311 5.090 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000408556635 570197535 /nfs/dbraw/zinc/19/75/35/570197535.db2.gz IVHHGPPVMZOGLF-UHFFFAOYSA-N -1 1 465.358 5.364 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408556674 570197716 /nfs/dbraw/zinc/19/77/16/570197716.db2.gz IZZNHXMFQKDALN-UHFFFAOYSA-N -1 1 484.883 5.421 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000408556949 570197871 /nfs/dbraw/zinc/19/78/71/570197871.db2.gz FLGRRCXHIMTDMQ-UHFFFAOYSA-N -1 1 498.910 5.729 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccccc1C ZINC000408557451 570198147 /nfs/dbraw/zinc/19/81/47/570198147.db2.gz MVWKCBFXDZURKN-UHFFFAOYSA-N -1 1 465.358 5.364 40 0 JKABMM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408557689 570198464 /nfs/dbraw/zinc/19/84/64/570198464.db2.gz OHMOLPKXFVJMOZ-UHFFFAOYSA-N -1 1 495.384 5.210 40 0 JKABMM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408560810 570200695 /nfs/dbraw/zinc/20/06/95/570200695.db2.gz QFPFZJFZRDVDED-UHFFFAOYSA-N -1 1 497.425 5.534 40 0 JKABMM O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000408576240 570205834 /nfs/dbraw/zinc/20/58/34/570205834.db2.gz WLGHDNJPMBPWSW-NTCAYCPXSA-N -1 1 481.533 5.987 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3c(C)cccc3C(C)C)cc2)cc1 ZINC000408583527 570207299 /nfs/dbraw/zinc/20/72/99/570207299.db2.gz HXYPGRJPIKDQMF-UHFFFAOYSA-N -1 1 450.604 5.799 40 0 JKABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC ZINC000408585089 570207839 /nfs/dbraw/zinc/20/78/39/570207839.db2.gz CKKXHFIDTPXHRX-UHFFFAOYSA-N -1 1 466.865 5.127 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000408584964 570207864 /nfs/dbraw/zinc/20/78/64/570207864.db2.gz XFQLZCDLGYJUAC-UHFFFAOYSA-N -1 1 484.621 5.634 40 0 JKABMM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408590711 570209053 /nfs/dbraw/zinc/20/90/53/570209053.db2.gz KMZDAZVCKAXSHR-UHFFFAOYSA-N -1 1 472.994 5.283 40 0 JKABMM Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408591422 570209239 /nfs/dbraw/zinc/20/92/39/570209239.db2.gz MEKOBNASIYFSSF-UHFFFAOYSA-N -1 1 465.358 5.120 40 0 JKABMM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)C(=O)NC1CCCCC1 ZINC000408592884 570209607 /nfs/dbraw/zinc/20/96/07/570209607.db2.gz OYYUNEHSBWLXFS-AWEZNQCLSA-N -1 1 471.406 5.010 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000001464613 194124299 /nfs/dbraw/zinc/12/42/99/194124299.db2.gz YRCMRBVJGRBASF-PLMTUMEDSA-N -1 1 499.272 5.357 40 0 JKABMM CCCc1c(=O)[n-]c(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)nc1-c1ccccc1 ZINC000020634929 195191751 /nfs/dbraw/zinc/19/17/51/195191751.db2.gz YMQYIRNRWNMDDZ-UHFFFAOYSA-N -1 1 467.960 6.397 40 0 JKABMM O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc21 ZINC000020765704 195221112 /nfs/dbraw/zinc/22/11/12/195221112.db2.gz LOLFNAMSEMKCIR-UHFFFAOYSA-N -1 1 461.370 5.387 40 0 JKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4cccc5ccccc54)ccc32)cc1 ZINC000020766023 195221421 /nfs/dbraw/zinc/22/14/21/195221421.db2.gz XWKIILHYOGTGMR-UHFFFAOYSA-N -1 1 456.567 5.542 40 0 JKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)ccc32)cc1 ZINC000020766057 195221467 /nfs/dbraw/zinc/22/14/67/195221467.db2.gz BGOCJJKQTKBYGB-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc21 ZINC000020766465 195221577 /nfs/dbraw/zinc/22/15/77/195221577.db2.gz OBYLJUKZGVJFHS-UHFFFAOYSA-N -1 1 495.815 6.041 40 0 JKABMM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21 ZINC000020766427 195221764 /nfs/dbraw/zinc/22/17/64/195221764.db2.gz NPZYLXUWLLVTRG-UHFFFAOYSA-N -1 1 461.370 5.387 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766820 195222111 /nfs/dbraw/zinc/22/21/11/195222111.db2.gz NAFSHLBUDNPJEY-UHFFFAOYSA-N -1 1 458.942 5.181 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 ZINC000020767142 195222400 /nfs/dbraw/zinc/22/24/00/195222400.db2.gz KVTJTRDBAGAHQF-UHFFFAOYSA-N -1 1 454.979 5.351 40 0 JKABMM COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021305673 195293636 /nfs/dbraw/zinc/29/36/36/195293636.db2.gz OUIAEYFRXKPWNM-UHFFFAOYSA-N -1 1 485.776 5.709 40 0 JKABMM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306111 195293689 /nfs/dbraw/zinc/29/36/89/195293689.db2.gz QLPASXCUCHIEPS-HNNXBMFYSA-N -1 1 479.385 5.509 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000021305758 195293718 /nfs/dbraw/zinc/29/37/18/195293718.db2.gz CANFXCHTOBXQPD-UHFFFAOYSA-N -1 1 497.403 6.714 40 0 JKABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1OC ZINC000021305926 195293754 /nfs/dbraw/zinc/29/37/54/195293754.db2.gz FFISNWSXUMCUKL-UHFFFAOYSA-N -1 1 481.357 5.064 40 0 JKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC000021306121 195293765 /nfs/dbraw/zinc/29/37/65/195293765.db2.gz ZKPMWGOIQZXOKG-MRXNPFEDSA-N -1 1 493.412 5.817 40 0 JKABMM O=C(CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)c1ccc([O-])cc1 ZINC000059417593 195399679 /nfs/dbraw/zinc/39/96/79/195399679.db2.gz QWNFBHINEDZAPH-UHFFFAOYSA-N -1 1 499.411 5.992 40 0 JKABMM CC(C)C[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000020454773 519391703 /nfs/dbraw/zinc/39/17/03/519391703.db2.gz ZYIIGIOFLHGTQB-QHCPKHFHSA-N -1 1 456.995 5.658 40 0 JKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000026675815 520635651 /nfs/dbraw/zinc/63/56/51/520635651.db2.gz BYAPMMVWPWLXAS-PXNMLYILSA-N -1 1 474.818 6.954 40 0 JKABMM CCOC(=O)c1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)ccc1Cl ZINC000020455205 521442801 /nfs/dbraw/zinc/44/28/01/521442801.db2.gz MTZAWVSNXKZVHJ-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3NC(=S)[N-]C3=O)c2-c2ccccc2)cc1 ZINC000033362526 521462070 /nfs/dbraw/zinc/46/20/70/521462070.db2.gz PVXSSQPJBPTABN-ULJHMMPZSA-N -1 1 493.588 5.745 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1Cl ZINC000020495099 521515261 /nfs/dbraw/zinc/51/52/61/521515261.db2.gz BSVJOFSNWHKWCU-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM COC(=O)c1ccc(Cl)c(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000022521948 522059549 /nfs/dbraw/zinc/05/95/49/522059549.db2.gz HITBRGJJKVIXAG-UHFFFAOYSA-N -1 1 493.368 5.142 40 0 JKABMM COc1cc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c(OC)cc1Cl ZINC000020455407 522720389 /nfs/dbraw/zinc/72/03/89/522720389.db2.gz TYJIFEWCWDKDHM-UHFFFAOYSA-N -1 1 495.384 5.372 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc(OC)cc1 ZINC000044949984 522784037 /nfs/dbraw/zinc/78/40/37/522784037.db2.gz RVZTYTHSXWNDOP-HSZRJFAPSA-N -1 1 466.603 5.302 40 0 JKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000044901230 522883169 /nfs/dbraw/zinc/88/31/69/522883169.db2.gz FWENTRGELMIZJU-DEOSSOPVSA-N -1 1 466.603 5.517 40 0 JKABMM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000044900160 522888398 /nfs/dbraw/zinc/88/83/98/522888398.db2.gz GNBZZYVNFIMLDB-DEOSSOPVSA-N -1 1 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O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000020493716 526702156 /nfs/dbraw/zinc/70/21/56/526702156.db2.gz ZXXQHPBLSYPMOS-UHFFFAOYSA-N -1 1 491.012 5.983 40 0 JKABMM O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000044840646 527103556 /nfs/dbraw/zinc/10/35/56/527103556.db2.gz BKJDCWKOXDOKAQ-UHFFFAOYSA-N -1 1 489.302 6.065 40 0 JKABMM O=C(Nc1cc(Cl)ccc1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020462020 527111193 /nfs/dbraw/zinc/11/11/93/527111193.db2.gz PXWQUQHMDSPPCL-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM O=C(Nc1ccc(Br)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020490420 527157368 /nfs/dbraw/zinc/15/73/68/527157368.db2.gz HBCKDVMOWDOGEL-UHFFFAOYSA-N -1 1 465.756 5.156 40 0 JKABMM O=C(NC(c1ccccc1)c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030865561 527467153 /nfs/dbraw/zinc/46/71/53/527467153.db2.gz ATVXKKWMDPRBEI-UHFFFAOYSA-N -1 1 476.985 5.660 40 0 JKABMM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]c3nnc(COc4ccccc4F)s3)cc12 ZINC000000897802 553832709 /nfs/dbraw/zinc/83/27/09/553832709.db2.gz BSYVTZOKJJQDII-UHFFFAOYSA-N -1 1 465.535 5.217 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCCc4ccccc4)o3)cc2)cc1 ZINC000000897218 553832743 /nfs/dbraw/zinc/83/27/43/553832743.db2.gz UDEYFSSLGJIPGE-UHFFFAOYSA-N -1 1 451.573 5.181 40 0 JKABMM CN(C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000003067715 554425505 /nfs/dbraw/zinc/42/55/05/554425505.db2.gz SHHXPBBNCPATKH-AAEUAGOBSA-N -1 1 464.233 5.553 40 0 JKABMM CCC(C)(C)c1ccc(OCCOCCNC(=O)c2ccc3ccccc3c2[O-])c(C(C)(C)CC)c1 ZINC000006462319 554542936 /nfs/dbraw/zinc/54/29/36/554542936.db2.gz KNMJARDMPNZKNW-UHFFFAOYSA-N -1 1 491.672 6.746 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1F)c1ccc(Cl)cc1 ZINC000008810062 554689186 /nfs/dbraw/zinc/68/91/86/554689186.db2.gz CMRYHZALGPVSRV-UHFFFAOYSA-N -1 1 483.746 5.295 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1F)c1cccc(Cl)c1 ZINC000008810237 554689642 /nfs/dbraw/zinc/68/96/42/554689642.db2.gz DXRYYDQYAIIGLR-UHFFFAOYSA-N -1 1 457.285 5.325 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1F)c1ccccc1Cl ZINC000008810372 554690005 /nfs/dbraw/zinc/69/00/05/554690005.db2.gz AZFMILCKAGIBQR-UHFFFAOYSA-N -1 1 454.910 5.685 40 0 JKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810301 554690024 /nfs/dbraw/zinc/69/00/24/554690024.db2.gz MBXBFJFSUANLLI-UHFFFAOYSA-N -1 1 460.958 5.657 40 0 JKABMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810462 554690418 /nfs/dbraw/zinc/69/04/18/554690418.db2.gz BQKQRMMKIXVILI-UHFFFAOYSA-N -1 1 460.958 5.964 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1F)c1ccc(Cl)cc1Cl ZINC000008810529 554690775 /nfs/dbraw/zinc/69/07/75/554690775.db2.gz GZZJCAASBUGIKB-UHFFFAOYSA-N -1 1 489.355 6.339 40 0 JKABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810554 554690780 /nfs/dbraw/zinc/69/07/80/554690780.db2.gz OWZXVZBPMUHAOA-UHFFFAOYSA-N -1 1 469.321 5.194 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1F)c1ccc(F)cc1 ZINC000008810847 554691448 /nfs/dbraw/zinc/69/14/48/554691448.db2.gz DBOVMTSWJJFTMF-UHFFFAOYSA-N -1 1 457.285 5.325 40 0 JKABMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1cccc(OCc2ccccc2)c1 ZINC000008832950 554729064 /nfs/dbraw/zinc/72/90/64/554729064.db2.gz GKORDNPHUDJNBC-UHFFFAOYSA-N -1 1 495.560 5.906 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)cc3[O-])oc2c(C)c1 ZINC000008833340 554730842 /nfs/dbraw/zinc/73/08/42/554730842.db2.gz ZWLGDLBPPYAYKT-UHFFFAOYSA-N -1 1 489.597 5.979 40 0 JKABMM CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c([O-])c2)c1 ZINC000008833352 554730972 /nfs/dbraw/zinc/73/09/72/554730972.db2.gz IZRBSFGWDDMIGC-UHFFFAOYSA-N -1 1 489.597 6.069 40 0 JKABMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c([O-])c2)cc1Cl ZINC000008833349 554731036 /nfs/dbraw/zinc/73/10/36/554731036.db2.gz HNRRSNPDITWNID-UHFFFAOYSA-N -1 1 495.988 5.942 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)cc3[O-])nc2c1 ZINC000008835141 554733335 /nfs/dbraw/zinc/73/33/35/554733335.db2.gz VOMWCWQKJNPNTQ-UHFFFAOYSA-N -1 1 489.597 5.924 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)cc3[O-])nc2c1 ZINC000008835149 554733560 /nfs/dbraw/zinc/73/35/60/554733560.db2.gz RSHTYVDVMDLFHU-RIYZIHGNSA-N -1 1 485.609 6.413 40 0 JKABMM COC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(Br)cc3)c(C)cc2oc1C(C)(C)C ZINC000008870303 554764978 /nfs/dbraw/zinc/76/49/78/554764978.db2.gz HNCPGDZPTRCECL-UHFFFAOYSA-N -1 1 480.380 5.389 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3[O-])oc2c(C)c1 ZINC000009064867 554884064 /nfs/dbraw/zinc/88/40/64/554884064.db2.gz DMSIKNPITXGWCR-UHFFFAOYSA-N -1 1 451.935 5.597 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)cc3[O-])oc2c1 ZINC000009064853 554884073 /nfs/dbraw/zinc/88/40/73/554884073.db2.gz SRUASPQTSFISMD-UHFFFAOYSA-N -1 1 472.353 5.942 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc5ccccc54)cc3[O-])oc2c(C)c1 ZINC000009064873 554884079 /nfs/dbraw/zinc/88/40/79/554884079.db2.gz GBTAVAAJABJJAG-UHFFFAOYSA-N -1 1 467.550 6.097 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2C)cc1 ZINC000019855635 555513106 /nfs/dbraw/zinc/51/31/06/555513106.db2.gz AFWOYLRDANTIDS-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c(C)c1 ZINC000013632756 555542614 /nfs/dbraw/zinc/54/26/14/555542614.db2.gz SYPCCJVLBHMABW-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000019931689 555549170 /nfs/dbraw/zinc/54/91/70/555549170.db2.gz KBDGZWUSQSEHIB-VWLOTQADSA-N -1 1 466.603 5.322 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)c(Cl)c2)cc1 ZINC000019931655 555549252 /nfs/dbraw/zinc/54/92/52/555549252.db2.gz MCLCHQLMXKHRNL-UHFFFAOYSA-N -1 1 483.033 5.544 40 0 JKABMM O=C(Nc1cccc(Cl)c1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000019932225 555549780 /nfs/dbraw/zinc/54/97/80/555549780.db2.gz TVWBHNTZAWOLPO-UHFFFAOYSA-N -1 1 455.750 5.700 40 0 JKABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1C ZINC000013646514 555550873 /nfs/dbraw/zinc/55/08/73/555550873.db2.gz RITJXCOAQRSLIW-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000013647601 555551924 /nfs/dbraw/zinc/55/19/24/555551924.db2.gz OFRAZNFQVUNYEV-UHFFFAOYSA-N -1 1 490.556 5.136 40 0 JKABMM Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013669588 555559612 /nfs/dbraw/zinc/55/96/12/555559612.db2.gz NSSIXSRAGFRWLV-IBGZPJMESA-N -1 1 450.604 5.584 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(Br)ccc1Cl ZINC000009903471 555563308 /nfs/dbraw/zinc/56/33/08/555563308.db2.gz HESZHWDTEWKVHD-UHFFFAOYSA-N -1 1 465.756 5.156 40 0 JKABMM Cc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000013673182 555564855 /nfs/dbraw/zinc/56/48/55/555564855.db2.gz HSYBMBUOOPCVHG-UHFFFAOYSA-N -1 1 450.604 5.084 40 0 JKABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1 ZINC000013676688 555567485 /nfs/dbraw/zinc/56/74/85/555567485.db2.gz BZPVBDBNPHOETR-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2C)cc1 ZINC000013677912 555568852 /nfs/dbraw/zinc/56/88/52/555568852.db2.gz JOODOJBJZHGLFR-UHFFFAOYSA-N -1 1 498.048 5.028 40 0 JKABMM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000013678657 555569907 /nfs/dbraw/zinc/56/99/07/555569907.db2.gz VXLUIRHQEGIQMI-UHFFFAOYSA-N -1 1 499.441 5.353 40 0 JKABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)cc1 ZINC000013681539 555574660 /nfs/dbraw/zinc/57/46/60/555574660.db2.gz CPVYDAASBGUJDH-UHFFFAOYSA-N -1 1 485.414 5.045 40 0 JKABMM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1 ZINC000020023106 555600909 /nfs/dbraw/zinc/60/09/09/555600909.db2.gz SKLJEKVGQJKPMV-INIZCTEOSA-N -1 1 491.034 5.119 40 0 JKABMM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000010041594 555606141 /nfs/dbraw/zinc/60/61/41/555606141.db2.gz RXCYZQRLCYHMFP-UHFFFAOYSA-N -1 1 451.331 5.055 40 0 JKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020039475 555612802 /nfs/dbraw/zinc/61/28/02/555612802.db2.gz IMJJJSLEMJZBOB-XMMPIXPASA-N -1 1 487.021 5.862 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000020042392 555614332 /nfs/dbraw/zinc/61/43/32/555614332.db2.gz LCBFRMQKCZKGLL-UHFFFAOYSA-N -1 1 477.413 5.465 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000020042216 555614442 /nfs/dbraw/zinc/61/44/42/555614442.db2.gz NICRNLLSOIUFMJ-IBGZPJMESA-N -1 1 452.576 5.325 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3Br)c2)cc1 ZINC000020043310 555615002 /nfs/dbraw/zinc/61/50/02/555615002.db2.gz WTPGNBJFSYQEKQ-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020044214 555615597 /nfs/dbraw/zinc/61/55/97/555615597.db2.gz NLHLDFIGOBJHPM-QGZVFWFLSA-N -1 1 472.994 5.418 40 0 JKABMM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020044211 555615658 /nfs/dbraw/zinc/61/56/58/555615658.db2.gz NLHLDFIGOBJHPM-KRWDZBQOSA-N -1 1 472.994 5.418 40 0 JKABMM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020044739 555615953 /nfs/dbraw/zinc/61/59/53/555615953.db2.gz MXIUQCDQNDRJAG-HSZRJFAPSA-N -1 1 487.021 5.862 40 0 JKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000020046968 555617202 /nfs/dbraw/zinc/61/72/02/555617202.db2.gz HBONLEHZPTWLGM-SANMLTNESA-N -1 1 474.582 5.745 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2C)cc1C ZINC000020050342 555619644 /nfs/dbraw/zinc/61/96/44/555619644.db2.gz YKVCVJVHYPFPRF-RUZDIDTESA-N -1 1 464.631 5.930 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)ccc1C ZINC000020050515 555619729 /nfs/dbraw/zinc/61/97/29/555619729.db2.gz HRVBHCQIMSVBSH-NDEPHWFRSA-N -1 1 484.621 5.932 40 0 JKABMM Cc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000010110763 555621174 /nfs/dbraw/zinc/62/11/74/555621174.db2.gz SPJDMUOHWZNGSV-UHFFFAOYSA-N -1 1 450.604 5.084 40 0 JKABMM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020061209 555624004 /nfs/dbraw/zinc/62/40/04/555624004.db2.gz BBTNBTNCQALFQJ-QGZVFWFLSA-N -1 1 497.041 6.413 40 0 JKABMM O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020061207 555624065 /nfs/dbraw/zinc/62/40/65/555624065.db2.gz GKHLNNWHLYJYQA-UHFFFAOYSA-N -1 1 497.041 6.166 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)cc1C ZINC000010112006 555624188 /nfs/dbraw/zinc/62/41/88/555624188.db2.gz HZRWZTSAVRODGQ-OAQYLSRUSA-N -1 1 478.658 6.201 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2C)cc1 ZINC000010112032 555624273 /nfs/dbraw/zinc/62/42/73/555624273.db2.gz QQONAGHOLDYYBN-HXUWFJFHSA-N -1 1 464.631 5.893 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c(C)c1 ZINC000010112357 555625738 /nfs/dbraw/zinc/62/57/38/555625738.db2.gz XCBCECPVYDLSCM-UHFFFAOYSA-N -1 1 480.586 5.150 40 0 JKABMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000020105647 555639283 /nfs/dbraw/zinc/63/92/83/555639283.db2.gz LWIMWKMVXZFFGC-UHFFFAOYSA-N -1 1 469.006 5.236 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H](CC(C)C)c3ccccc3)c2)cc1 ZINC000020105975 555639617 /nfs/dbraw/zinc/63/96/17/555639617.db2.gz DWKJZECJNWZQJT-XMMPIXPASA-N -1 1 471.022 5.966 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c2ccccc2)cc1 ZINC000020106796 555640195 /nfs/dbraw/zinc/64/01/95/555640195.db2.gz UERTYMJCCVBBNH-GDLZYMKVSA-N -1 1 498.648 6.240 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c(C)c1 ZINC000020107670 555641599 /nfs/dbraw/zinc/64/15/99/555641599.db2.gz NUTWBICHIDYXHP-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020108537 555643457 /nfs/dbraw/zinc/64/34/57/555643457.db2.gz YFCVYCAEEKDJIT-IBGZPJMESA-N -1 1 474.582 5.609 40 0 JKABMM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020109023 555644397 /nfs/dbraw/zinc/64/43/97/555644397.db2.gz CQGDWWCSPXBIDW-UHFFFAOYSA-N -1 1 489.302 6.065 40 0 JKABMM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020112140 555649301 /nfs/dbraw/zinc/64/93/01/555649301.db2.gz ASGXCDBYTPRXSS-OAQYLSRUSA-N -1 1 497.375 5.729 40 0 JKABMM Cc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314307 555679906 /nfs/dbraw/zinc/67/99/06/555679906.db2.gz FMCWVAWDWXDUHG-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314497 555680126 /nfs/dbraw/zinc/68/01/26/555680126.db2.gz KHOQMQWEPKLXSY-UHFFFAOYSA-N -1 1 475.035 5.112 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000010314635 555680471 /nfs/dbraw/zinc/68/04/71/555680471.db2.gz ORAKGDYUBSTKTC-UHFFFAOYSA-N -1 1 491.613 5.111 40 0 JKABMM Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314606 555680577 /nfs/dbraw/zinc/68/05/77/555680577.db2.gz SYBCTMKFIGQYLC-UHFFFAOYSA-N -1 1 492.984 6.494 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2C)cc1 ZINC000010314760 555680944 /nfs/dbraw/zinc/68/09/44/555680944.db2.gz IKXAZNKPMVAINL-UHFFFAOYSA-N -1 1 470.594 5.624 40 0 JKABMM Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)ccc1Br ZINC000010315003 555681178 /nfs/dbraw/zinc/68/11/78/555681178.db2.gz XJCKQFWFOZEDKY-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000010314961 555681204 /nfs/dbraw/zinc/68/12/04/555681204.db2.gz NMBRWQXXTSOXJE-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccccc3C)c2C)cc1 ZINC000010314975 555681214 /nfs/dbraw/zinc/68/12/14/555681214.db2.gz RAYXGIREQXXDHY-UHFFFAOYSA-N -1 1 468.644 5.076 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSCc3ccccc3Cl)ccc2C)cc1 ZINC000010314962 555681365 /nfs/dbraw/zinc/68/13/65/555681365.db2.gz JCEZUHHXLDBFMZ-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010315075 555681681 /nfs/dbraw/zinc/68/16/81/555681681.db2.gz XFDIZWYHVXNPSL-UHFFFAOYSA-N -1 1 454.857 5.412 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2C)cc1 ZINC000010315262 555681893 /nfs/dbraw/zinc/68/18/93/555681893.db2.gz ASBHNXSEWCDFOH-UHFFFAOYSA-N -1 1 456.567 6.024 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc2C)cc1 ZINC000010333599 555689128 /nfs/dbraw/zinc/68/91/28/555689128.db2.gz MLDOUJFVLKQKEW-UHFFFAOYSA-N -1 1 472.566 6.149 40 0 JKABMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000010334272 555689477 /nfs/dbraw/zinc/68/94/77/555689477.db2.gz YBQHAJBXHLFKQJ-UHFFFAOYSA-N -1 1 473.392 5.130 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2C)cc1 ZINC000010334690 555689743 /nfs/dbraw/zinc/68/97/43/555689743.db2.gz TXPNJCVAZLQDRD-UHFFFAOYSA-N -1 1 484.621 5.947 40 0 JKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1 ZINC000010336060 555691269 /nfs/dbraw/zinc/69/12/69/555691269.db2.gz WJQSGHMKGUWSQM-UHFFFAOYSA-N -1 1 471.022 6.144 40 0 JKABMM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000010338632 555692945 /nfs/dbraw/zinc/69/29/45/555692945.db2.gz LUJYGVLXMWXOCV-UHFFFAOYSA-N -1 1 491.440 6.489 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Br)c(C)c3)c2)cc1 ZINC000010361384 555696769 /nfs/dbraw/zinc/69/67/69/555696769.db2.gz DMCJTEFIBMZRNK-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSCc3ccc(Cl)cc3)ccc2C)cc1 ZINC000010367129 555698189 /nfs/dbraw/zinc/69/81/89/555698189.db2.gz PCRHCDVWVISVEC-UHFFFAOYSA-N -1 1 489.062 5.421 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010366627 555698230 /nfs/dbraw/zinc/69/82/30/555698230.db2.gz GERGGBAWPYHMHS-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM O=C(NCCSCc1ccc(Cl)cc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010367965 555698509 /nfs/dbraw/zinc/69/85/09/555698509.db2.gz KTCFULHNIOJRAN-UHFFFAOYSA-N -1 1 495.453 5.457 40 0 JKABMM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000010367572 555698583 /nfs/dbraw/zinc/69/85/83/555698583.db2.gz DUUHTWYJCICYKQ-UHFFFAOYSA-N -1 1 469.777 5.629 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)c(C)c1 ZINC000014153858 555710349 /nfs/dbraw/zinc/71/03/49/555710349.db2.gz VCSJXGYZUYKYNI-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000014154060 555710633 /nfs/dbraw/zinc/71/06/33/555710633.db2.gz JPJPMMDQQGEJRQ-AWNIVKPZSA-N -1 1 494.922 6.120 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3C)ccc2C)cc1C ZINC000014154429 555711582 /nfs/dbraw/zinc/71/15/82/555711582.db2.gz ZLCXOIVHMMSJBH-UHFFFAOYSA-N -1 1 482.671 5.384 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C)c1 ZINC000014154619 555711917 /nfs/dbraw/zinc/71/19/17/555711917.db2.gz KCHMYYRJKRJBSV-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000014155101 555713174 /nfs/dbraw/zinc/71/31/74/555713174.db2.gz ZEHGUDUWRVPRSK-UHFFFAOYSA-N -1 1 467.399 5.768 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)c1 ZINC000014155813 555714661 /nfs/dbraw/zinc/71/46/61/555714661.db2.gz HVLKRJHDPQKSBQ-UHFFFAOYSA-N -1 1 482.911 6.029 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(OC)cc4)cc3[O-])nc2c1 ZINC000014270214 555761655 /nfs/dbraw/zinc/76/16/55/555761655.db2.gz JKIGFBDDGRTDEX-NTUHNPAUSA-N -1 1 473.554 5.298 40 0 JKABMM COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 ZINC000014270223 555761878 /nfs/dbraw/zinc/76/18/78/555761878.db2.gz BAUVYZDHSMRAJZ-UHFFFAOYSA-N -1 1 467.934 5.298 40 0 JKABMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000014274172 555775979 /nfs/dbraw/zinc/77/59/79/555775979.db2.gz NFZSFEDUQYRPNT-UHFFFAOYSA-N -1 1 495.560 5.906 40 0 JKABMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)cc3[O-])nc2c1 ZINC000014274638 555777288 /nfs/dbraw/zinc/77/72/88/555777288.db2.gz URUDVQYJLOKDIE-UHFFFAOYSA-N -1 1 487.968 6.442 40 0 JKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4Br)cc3[O-])oc2c1 ZINC000014275012 555778910 /nfs/dbraw/zinc/77/89/10/555778910.db2.gz JDSRZQQLROHZEO-UHFFFAOYSA-N -1 1 482.359 5.398 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(Br)c4)cc3[O-])oc2c(C)c1 ZINC000014275041 555778961 /nfs/dbraw/zinc/77/89/61/555778961.db2.gz USUMNHGOHNATJR-UHFFFAOYSA-N -1 1 496.386 5.707 40 0 JKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Br)cc4)cc3[O-])nc2c1 ZINC000014275071 555779256 /nfs/dbraw/zinc/77/92/56/555779256.db2.gz BXMXAASQWXQJRQ-UHFFFAOYSA-N -1 1 496.386 5.652 40 0 JKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)cc3[O-])oc2c(C)c1 ZINC000014275053 555779265 /nfs/dbraw/zinc/77/92/65/555779265.db2.gz QBVNKVXBMFPUHI-UHFFFAOYSA-N -1 1 475.570 5.731 40 0 JKABMM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC000014396770 555802531 /nfs/dbraw/zinc/80/25/31/555802531.db2.gz HBAQVTRJAMUFQO-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000014396640 555802561 /nfs/dbraw/zinc/80/25/61/555802561.db2.gz PEQNGGYNDLEOSM-QGZVFWFLSA-N -1 1 480.973 5.700 40 0 JKABMM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000014397544 555803316 /nfs/dbraw/zinc/80/33/16/555803316.db2.gz FYFJUNDECQZPSG-SFHVURJKSA-N -1 1 476.554 5.055 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)c1 ZINC000014397451 555803328 /nfs/dbraw/zinc/80/33/28/555803328.db2.gz AFQAQVOKRFUAFY-UHFFFAOYSA-N -1 1 472.994 5.555 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000014398742 555804315 /nfs/dbraw/zinc/80/43/15/555804315.db2.gz OUDHEEAMQCUEBB-UHFFFAOYSA-N -1 1 458.967 5.247 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000014399321 555804806 /nfs/dbraw/zinc/80/48/06/555804806.db2.gz NARFGQKGVLXMBM-FQEVSTJZSA-N -1 1 480.630 5.808 40 0 JKABMM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000014399874 555805212 /nfs/dbraw/zinc/80/52/12/555805212.db2.gz QMBRLYCKGFBMPR-UHFFFAOYSA-N -1 1 490.581 5.447 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)c1 ZINC000014399755 555805237 /nfs/dbraw/zinc/80/52/37/555805237.db2.gz UZDWBDHJQYYGHC-SFHVURJKSA-N -1 1 472.994 5.472 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(N2CCCCC2)cc1 ZINC000014400107 555805516 /nfs/dbraw/zinc/80/55/16/555805516.db2.gz YSNZJOBVMBHEET-UHFFFAOYSA-N -1 1 485.609 5.883 40 0 JKABMM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000021306194 555850526 /nfs/dbraw/zinc/85/05/26/555850526.db2.gz ZNPRILNXIUIUTA-AWEZNQCLSA-N -1 1 495.384 5.209 40 0 JKABMM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000021306198 555850583 /nfs/dbraw/zinc/85/05/83/555850583.db2.gz ZNPRILNXIUIUTA-CQSZACIVSA-N -1 1 495.384 5.209 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000022109748 555876452 /nfs/dbraw/zinc/87/64/52/555876452.db2.gz USEFAIJHGFCASG-UHFFFAOYSA-N -1 1 453.395 5.531 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022109763 555876532 /nfs/dbraw/zinc/87/65/32/555876532.db2.gz OPJJJYRZBUOSJV-UHFFFAOYSA-N -1 1 473.429 6.676 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000022109777 555876537 /nfs/dbraw/zinc/87/65/37/555876537.db2.gz UDLOKRQRKJDUHG-UHFFFAOYSA-N -1 1 467.422 5.921 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022109743 555876552 /nfs/dbraw/zinc/87/65/52/555876552.db2.gz ZRZYMBQZJWXDLL-UHFFFAOYSA-N -1 1 497.846 5.640 40 0 JKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022109923 555876857 /nfs/dbraw/zinc/87/68/57/555876857.db2.gz WCDZFUBTKDODSW-UHFFFAOYSA-N -1 1 457.814 6.176 40 0 JKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022109974 555876878 /nfs/dbraw/zinc/87/68/78/555876878.db2.gz ITNAOFQOMYXNMN-UHFFFAOYSA-N -1 1 457.386 6.237 40 0 JKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022110036 555876883 /nfs/dbraw/zinc/87/68/83/555876883.db2.gz GSKMCJMUCATYNP-UHFFFAOYSA-N -1 1 473.001 6.737 40 0 JKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cc(Br)ccc1OCc1ccccc1 ZINC000022110091 555876909 /nfs/dbraw/zinc/87/69/09/555876909.db2.gz CTUDLZAZDQECEB-UHFFFAOYSA-N -1 1 467.392 5.693 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022110080 555876955 /nfs/dbraw/zinc/87/69/55/555876955.db2.gz FCKKLOQAGYYJPC-UHFFFAOYSA-N -1 1 466.994 5.982 40 0 JKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022110223 555877261 /nfs/dbraw/zinc/87/72/61/555877261.db2.gz SIKYDDRIVODDDC-UHFFFAOYSA-N -1 1 457.386 6.237 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000022110316 555877335 /nfs/dbraw/zinc/87/73/35/555877335.db2.gz PRQXIQFTCHRVEG-UHFFFAOYSA-N -1 1 487.412 6.246 40 0 JKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000022110181 555877341 /nfs/dbraw/zinc/87/73/41/555877341.db2.gz QRJUFDYUNGOVDG-UHFFFAOYSA-N -1 1 484.984 6.122 40 0 JKABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Br)c1OCc1ccc(F)cc1 ZINC000022110444 555877543 /nfs/dbraw/zinc/87/75/43/555877543.db2.gz PVSQRWLRJAAUOJ-UHFFFAOYSA-N -1 1 481.391 5.126 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Br)c1OCc1ccccc1 ZINC000022110618 555877619 /nfs/dbraw/zinc/87/76/19/555877619.db2.gz SVMJRRJVZYXHNJ-UHFFFAOYSA-N -1 1 498.406 5.096 40 0 JKABMM CCc1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000022110424 555877650 /nfs/dbraw/zinc/87/76/50/555877650.db2.gz OPZJANSEMJIUQK-UHFFFAOYSA-N -1 1 453.793 5.242 40 0 JKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022110678 555877891 /nfs/dbraw/zinc/87/78/91/555877891.db2.gz VAVFOMWSQKINGJ-UHFFFAOYSA-N -1 1 473.989 6.132 40 0 JKABMM Fc1ccccc1COc1ccc(Br)cc1CNn1c(=S)[n-]nc1-c1ccncc1 ZINC000022110886 555877904 /nfs/dbraw/zinc/87/79/04/555877904.db2.gz NVDCTNMTPYUMTG-UHFFFAOYSA-N -1 1 486.370 5.227 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022110843 555877914 /nfs/dbraw/zinc/87/79/14/555877914.db2.gz XUSNWYZNLOOYOE-UHFFFAOYSA-N -1 1 487.412 6.246 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccccc1 ZINC000022110786 555877930 /nfs/dbraw/zinc/87/79/30/555877930.db2.gz JYSNWDPYDOWFLM-UHFFFAOYSA-N -1 1 497.418 5.701 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000022110644 555877946 /nfs/dbraw/zinc/87/79/46/555877946.db2.gz CTZFUFDQOYNLAU-UHFFFAOYSA-N -1 1 482.993 5.601 40 0 JKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022111061 555878187 /nfs/dbraw/zinc/87/81/87/555878187.db2.gz VKPJPJBFVCSPMI-UHFFFAOYSA-N -1 1 458.374 5.632 40 0 JKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022111069 555878214 /nfs/dbraw/zinc/87/82/14/555878214.db2.gz GSMFAVPEWAQOEE-UHFFFAOYSA-N -1 1 458.374 5.632 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022111015 555878268 /nfs/dbraw/zinc/87/82/68/555878268.db2.gz SQJKPPOZEOCXKP-UHFFFAOYSA-N -1 1 488.400 5.641 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022111115 555878306 /nfs/dbraw/zinc/87/83/06/555878306.db2.gz ZSABTWAUMIFXNA-UHFFFAOYSA-N -1 1 486.572 6.231 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022111524 555878608 /nfs/dbraw/zinc/87/86/08/555878608.db2.gz ISRSFWDMAUEYCU-UHFFFAOYSA-N -1 1 458.996 5.654 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000022111533 555878679 /nfs/dbraw/zinc/87/86/79/555878679.db2.gz PMYUVKKTJZCOIC-UHFFFAOYSA-N -1 1 489.022 5.662 40 0 JKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2cccs2)c(OC)c1 ZINC000022111336 555878695 /nfs/dbraw/zinc/87/86/95/555878695.db2.gz AYRPIJHYEWFIRU-UHFFFAOYSA-N -1 1 454.577 5.009 40 0 JKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCc1cccs1 ZINC000022111529 555878697 /nfs/dbraw/zinc/87/86/97/555878697.db2.gz BHSJWOHXOQVELE-UHFFFAOYSA-N -1 1 459.984 5.049 40 0 JKABMM COc1cc(CNn2cn[n-]c2=S)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022111765 555878905 /nfs/dbraw/zinc/87/89/05/555878905.db2.gz HYAVHPVLUHGEJX-UHFFFAOYSA-N -1 1 490.210 5.341 40 0 JKABMM COc1cc(CNn2c(C)n[n-]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022112417 555879138 /nfs/dbraw/zinc/87/91/38/555879138.db2.gz UPEXUSNXINXDTQ-UHFFFAOYSA-N -1 1 459.786 5.541 40 0 JKABMM COc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c(OC)cc1Cl ZINC000022442582 555930553 /nfs/dbraw/zinc/93/05/53/555930553.db2.gz JNSWWIAYEPKSHK-UHFFFAOYSA-N -1 1 474.966 5.027 40 0 JKABMM O=C(c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000022523140 555930969 /nfs/dbraw/zinc/93/09/69/555930969.db2.gz QMPGFTWDJBMOOK-UHFFFAOYSA-N -1 1 469.006 5.236 40 0 JKABMM Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)c1 ZINC000022532733 555932366 /nfs/dbraw/zinc/93/23/66/555932366.db2.gz PXEWAHXNSOODRR-UHFFFAOYSA-N -1 1 451.935 5.597 40 0 JKABMM CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3[O-])nc2c1 ZINC000022709636 555945414 /nfs/dbraw/zinc/94/54/14/555945414.db2.gz WPTIZYUTTWWAMY-QGZVFWFLSA-N -1 1 473.598 6.458 40 0 JKABMM [O-]c1cc2c(cc1Cl)[C@H](c1ccccc1)[C@H]1CCC[C@@H]3[C@H](c4ccccc4)NC(=S)N[C@@]31O2 ZINC000012376197 555963452 /nfs/dbraw/zinc/96/34/52/555963452.db2.gz OJVFCCKMQFSLLN-KINPKARHSA-N -1 1 477.029 5.902 40 0 JKABMM [O-]c1cc2c(cc1Cl)[C@@H](c1ccccc1)[C@H]1CCC[C@@H]3[C@H](c4ccccc4)NC(=S)N[C@]31O2 ZINC000012376198 555963504 /nfs/dbraw/zinc/96/35/04/555963504.db2.gz OJVFCCKMQFSLLN-YJCFTPCASA-N -1 1 477.029 5.902 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000015892482 556061056 /nfs/dbraw/zinc/06/10/56/556061056.db2.gz IDEYXLFLEYKKJK-UHFFFAOYSA-N -1 1 495.782 5.164 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)cc1 ZINC000015940646 556075633 /nfs/dbraw/zinc/07/56/33/556075633.db2.gz OMSKQOOTJVSACN-UHFFFAOYSA-N -1 1 457.555 5.034 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccccc1)cc2Cl ZINC000016779614 556159182 /nfs/dbraw/zinc/15/91/82/556159182.db2.gz GIURSDLESCEMBZ-UHFFFAOYSA-N -1 1 482.989 5.878 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(C)cc1)cc2C ZINC000016779618 556159489 /nfs/dbraw/zinc/15/94/89/556159489.db2.gz FAYBVNBPUWVWDZ-UHFFFAOYSA-N -1 1 476.598 5.842 40 0 JKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccccc1)cc2C ZINC000016807652 556162465 /nfs/dbraw/zinc/16/24/65/556162465.db2.gz YNDANRWXQWUBLS-UHFFFAOYSA-N -1 1 478.570 5.233 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1C(=O)N1CCCC1 ZINC000026115343 556245648 /nfs/dbraw/zinc/24/56/48/556245648.db2.gz VFBBZOOIBMRESC-UHFFFAOYSA-N -1 1 452.601 5.112 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118675 556247850 /nfs/dbraw/zinc/24/78/50/556247850.db2.gz UONDAOLUIYKVLH-UHFFFAOYSA-N -1 1 497.480 5.152 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)N1CCC(C)CC1 ZINC000026118620 556247902 /nfs/dbraw/zinc/24/79/02/556247902.db2.gz PCGBDKRAMZRZNF-UHFFFAOYSA-N -1 1 453.029 5.043 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1C(=O)N1CCCCCC1 ZINC000026119670 556248470 /nfs/dbraw/zinc/24/84/70/556248470.db2.gz ZIQJHJQTHNKXHI-UHFFFAOYSA-N -1 1 454.617 5.379 40 0 JKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 ZINC000026120331 556248784 /nfs/dbraw/zinc/24/87/84/556248784.db2.gz VKNIJABDWCGFTJ-UHFFFAOYSA-N -1 1 460.665 5.350 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)N1CCCCCC1 ZINC000026120230 556248822 /nfs/dbraw/zinc/24/88/22/556248822.db2.gz CUXQWHHRKAUNFO-UHFFFAOYSA-N -1 1 456.992 5.018 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)N1CCCCCC1 ZINC000026120504 556249156 /nfs/dbraw/zinc/24/91/56/556249156.db2.gz ZKBJABMUEFHKNJ-UHFFFAOYSA-N -1 1 460.665 5.657 40 0 JKABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000026120551 556249162 /nfs/dbraw/zinc/24/91/62/556249162.db2.gz AYJHUGNPLQIXRW-UHFFFAOYSA-N -1 1 460.665 5.568 40 0 JKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOCCOc1ccccc1C ZINC000026593454 556257794 /nfs/dbraw/zinc/25/77/94/556257794.db2.gz DBNVANXKPFVYAR-QNGOZBTKSA-N -1 1 459.589 5.197 40 0 JKABMM Cc1cccc(NC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)c1 ZINC000026780017 556262101 /nfs/dbraw/zinc/26/21/01/556262101.db2.gz ZBIMWUPERCNZET-UHFFFAOYSA-N -1 1 450.347 5.747 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000027025728 556272578 /nfs/dbraw/zinc/27/25/78/556272578.db2.gz YNUDWGNMYMRHDI-LVCYWYKZSA-N -1 1 499.272 5.357 40 0 JKABMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000028066354 556315615 /nfs/dbraw/zinc/31/56/15/556315615.db2.gz VNUOXKWLIPTHOT-DQEYMECFSA-N -1 1 498.608 5.182 40 0 JKABMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206969 556317614 /nfs/dbraw/zinc/31/76/14/556317614.db2.gz NDXITPKMBPMQAB-HNNXBMFYSA-N -1 1 460.477 5.098 40 0 JKABMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206959 556317640 /nfs/dbraw/zinc/31/76/40/556317640.db2.gz UJGUOXGBYUNZTP-AWEZNQCLSA-N -1 1 461.370 5.386 40 0 JKABMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000030751663 556371170 /nfs/dbraw/zinc/37/11/70/556371170.db2.gz AFMJVRYUCPETGO-OAQYLSRUSA-N -1 1 458.967 5.245 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1Cl ZINC000030752043 556371482 /nfs/dbraw/zinc/37/14/82/556371482.db2.gz KNQNWIDBYLXVJX-HNNXBMFYSA-N -1 1 479.385 5.509 40 0 JKABMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)ccc1Br ZINC000030752227 556371526 /nfs/dbraw/zinc/37/15/26/556371526.db2.gz JYNLOCWDQKUFPT-UHFFFAOYSA-N -1 1 479.783 5.464 40 0 JKABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000030754293 556372564 /nfs/dbraw/zinc/37/25/64/556372564.db2.gz XNJPHNFERLEYPL-QFIPXVFZSA-N -1 1 476.957 5.384 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c2ccccc2)cc1 ZINC000030756960 556373531 /nfs/dbraw/zinc/37/35/31/556373531.db2.gz ODIYTQCIJJMVRA-GDLZYMKVSA-N -1 1 498.648 6.240 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(Cl)c2)cc1 ZINC000030756831 556373598 /nfs/dbraw/zinc/37/35/98/556373598.db2.gz RBZRIOFZFHWSNL-UHFFFAOYSA-N -1 1 469.777 6.008 40 0 JKABMM Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c2ccccc2)cc1 ZINC000030757691 556373832 /nfs/dbraw/zinc/37/38/32/556373832.db2.gz ZHXYFNJXTFULFI-GDLZYMKVSA-N -1 1 498.648 6.240 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)c(Cl)c2)cc1 ZINC000030851559 556377542 /nfs/dbraw/zinc/37/75/42/556377542.db2.gz GPKIXRHJXVGBSC-HSZRJFAPSA-N -1 1 454.979 5.257 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2C)c(C)c1 ZINC000030852719 556378249 /nfs/dbraw/zinc/37/82/49/556378249.db2.gz UFUCCAMAVYMXEE-OAQYLSRUSA-N -1 1 450.604 5.521 40 0 JKABMM Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c(C)c1 ZINC000030853166 556378693 /nfs/dbraw/zinc/37/86/93/556378693.db2.gz BLPLEHFYJVVRSI-NRFANRHFSA-N -1 1 450.604 5.521 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(Cl)c2)cc1 ZINC000030853745 556379019 /nfs/dbraw/zinc/37/90/19/556379019.db2.gz SEZIKLONPAELKB-UHFFFAOYSA-N -1 1 459.011 5.148 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)c1 ZINC000030855697 556379787 /nfs/dbraw/zinc/37/97/87/556379787.db2.gz YGTFGPDSAVPMCS-DEOSSOPVSA-N -1 1 450.604 5.621 40 0 JKABMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000030856455 556380154 /nfs/dbraw/zinc/38/01/54/556380154.db2.gz VHTSHCQQTRIWPS-CQSZACIVSA-N -1 1 465.358 5.200 40 0 JKABMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000030862050 556382112 /nfs/dbraw/zinc/38/21/12/556382112.db2.gz KIIOFLYVLSYNEE-AWEZNQCLSA-N -1 1 498.910 5.566 40 0 JKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000030865630 556383121 /nfs/dbraw/zinc/38/31/21/556383121.db2.gz YHTSJTGYWYJREU-HNNXBMFYSA-N -1 1 477.007 5.269 40 0 JKABMM CCc1cccc(CC)c1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000030864761 556383216 /nfs/dbraw/zinc/38/32/16/556383216.db2.gz FVZYIELHUPSIFZ-UHFFFAOYSA-N -1 1 456.995 5.826 40 0 JKABMM CC1=C[C@@H](CNC(=O)CC(C)(C)CC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000072320930 560077168 /nfs/dbraw/zinc/07/71/68/560077168.db2.gz APFVYYDBOQNHOE-BJLQDIEVSA-N -1 1 457.590 5.106 40 0 biogenic,in-vitro JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1Br ZINC000059961044 569608220 /nfs/dbraw/zinc/60/82/20/569608220.db2.gz XFGCXFVFLKSHSG-UHFFFAOYSA-N -1 1 489.416 5.844 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1C ZINC000033459445 569626612 /nfs/dbraw/zinc/62/66/12/569626612.db2.gz GFTVKFJUBILJTJ-UHFFFAOYSA-N -1 1 459.365 5.119 40 0 JKABMM CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C(=O)NC2=S)cc1 ZINC000033536922 569627572 /nfs/dbraw/zinc/62/75/72/569627572.db2.gz PWFPOZOMWOJQCZ-HZHRSRAPSA-N -1 1 486.549 5.198 40 0 JKABMM CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)[O-])c4C)c3C)C(=O)NC2=S)cc1 ZINC000033586621 569628262 /nfs/dbraw/zinc/62/82/62/569628262.db2.gz MKBDKMAPXFHTRZ-HYARGMPZSA-N -1 1 487.581 5.335 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)c(C)c1 ZINC000033601745 569628637 /nfs/dbraw/zinc/62/86/37/569628637.db2.gz RCJLVYQLRPOWRA-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM O=S(=O)([N-]c1ccc(-c2nnc(SCc3c(F)cccc3Cl)o2)cc1)c1ccccc1 ZINC000034791438 569660374 /nfs/dbraw/zinc/66/03/74/569660374.db2.gz BNNBKHQTUGDVDC-UHFFFAOYSA-N -1 1 475.954 5.622 40 0 JKABMM COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000035262722 569678913 /nfs/dbraw/zinc/67/89/13/569678913.db2.gz PWNLFRGOADPGDZ-WQLSENKSSA-N -1 1 485.153 5.167 40 0 JKABMM O=C(N/C=C/c1cc(Cl)cc(Cl)c1)[C@@H](c1csc2ccc(Cl)cc21)[P@@](=O)([O-])O ZINC000036377892 569773723 /nfs/dbraw/zinc/77/37/23/569773723.db2.gz AAWWTPVQFZNTEM-REMYHPOOSA-N -1 1 476.705 5.867 40 0 JKABMM Cc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000100880473 569774062 /nfs/dbraw/zinc/77/40/62/569774062.db2.gz SCDMWIVARPGQQM-FKBYEOEOSA-N -1 1 497.776 5.462 40 0 JKABMM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cn(C)c3ccccc23)cc1 ZINC000101054456 569780493 /nfs/dbraw/zinc/78/04/93/569780493.db2.gz DEHFZJUHONNBRJ-PVHODMMVSA-N -1 1 481.552 5.018 40 0 JKABMM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1OC ZINC000038753766 569806635 /nfs/dbraw/zinc/80/66/35/569806635.db2.gz BMQUQBDYYGCETI-UHFFFAOYSA-N -1 1 488.993 5.038 40 0 JKABMM CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000038755934 569807133 /nfs/dbraw/zinc/80/71/33/569807133.db2.gz LACFMNPSUHWBIP-UHFFFAOYSA-N -1 1 454.617 5.777 40 0 JKABMM O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000038771822 569807663 /nfs/dbraw/zinc/80/76/63/569807663.db2.gz LUTJMNDSTNMOTG-UHFFFAOYSA-N -1 1 454.857 5.412 40 0 JKABMM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000038772499 569807778 /nfs/dbraw/zinc/80/77/78/569807778.db2.gz VDCNNZDSQFEGBU-QHCPKHFHSA-N -1 1 452.576 5.209 40 0 JKABMM O=C1N[C@@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000102692513 569815879 /nfs/dbraw/zinc/81/58/79/569815879.db2.gz KUYQRMQSFAKNDF-BBTUJRGHSA-N -1 1 499.272 5.357 40 0 JKABMM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707311 569816521 /nfs/dbraw/zinc/81/65/21/569816521.db2.gz IWRYMFUIBSOYMV-DSITVLBTSA-N -1 1 454.913 5.544 40 0 JKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102738017 569818869 /nfs/dbraw/zinc/81/88/69/569818869.db2.gz GXPWKMBLSASAPE-KWXIBIRDSA-N -1 1 486.568 5.234 40 0 JKABMM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102742131 569819308 /nfs/dbraw/zinc/81/93/08/569819308.db2.gz MMWXNOTWBPHFDY-KWXIBIRDSA-N -1 1 486.568 5.234 40 0 JKABMM Cc1nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c2c(=S)n1-c1cc(Cl)cc(Cl)c1 ZINC000040386905 569824314 /nfs/dbraw/zinc/82/43/14/569824314.db2.gz PLJUDTYHQNAXBI-UHFFFAOYSA-N -1 1 470.385 5.016 40 0 JKABMM Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)c([O-])c2)c1 ZINC000105022527 569851293 /nfs/dbraw/zinc/85/12/93/569851293.db2.gz VUXOBRWGIYPINT-UHFFFAOYSA-N -1 1 459.571 6.067 40 0 JKABMM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000106680320 569854510 /nfs/dbraw/zinc/85/45/10/569854510.db2.gz XRMCHDPSAIAJMT-JYRVWZFOSA-N -1 1 499.180 5.162 40 0 JKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000216243367 569877950 /nfs/dbraw/zinc/87/79/50/569877950.db2.gz YNCLPFWXBZQILD-QFIPXVFZSA-N -1 1 458.967 5.245 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000216244557 569877955 /nfs/dbraw/zinc/87/79/55/569877955.db2.gz SSHYHLBJGAOIJN-UHFFFAOYSA-N -1 1 495.453 5.625 40 0 JKABMM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000216275610 569878028 /nfs/dbraw/zinc/87/80/28/569878028.db2.gz ZPBGLIHKBWMCOG-RUZDIDTESA-N -1 1 495.000 6.090 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)c1 ZINC000216261269 569878030 /nfs/dbraw/zinc/87/80/30/569878030.db2.gz SZEJPIKZJMSVSX-HXUWFJFHSA-N -1 1 452.576 5.127 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)c1 ZINC000216261312 569878074 /nfs/dbraw/zinc/87/80/74/569878074.db2.gz SZEJPIKZJMSVSX-FQEVSTJZSA-N -1 1 452.576 5.127 40 0 JKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000216275656 569878078 /nfs/dbraw/zinc/87/80/78/569878078.db2.gz ZPBGLIHKBWMCOG-VWLOTQADSA-N -1 1 495.000 6.090 40 0 JKABMM Cc1cc(CSc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000216332002 569878347 /nfs/dbraw/zinc/87/83/47/569878347.db2.gz ZUIWNFGMEPUGPK-UHFFFAOYSA-N -1 1 466.628 5.523 40 0 JKABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1Cl ZINC000216345158 569878393 /nfs/dbraw/zinc/87/83/93/569878393.db2.gz YQIAVUFMWZCKOP-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1C ZINC000216410888 569878663 /nfs/dbraw/zinc/87/86/63/569878663.db2.gz LRFRNVJQWLYBOE-DEOSSOPVSA-N -1 1 450.604 5.621 40 0 JKABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000216397547 569878698 /nfs/dbraw/zinc/87/86/98/569878698.db2.gz GJWURSWFSNBXKD-HXUWFJFHSA-N -1 1 479.385 5.590 40 0 JKABMM CCOC(=O)c1cc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)ccc1Cl ZINC000216432153 569878858 /nfs/dbraw/zinc/87/88/58/569878858.db2.gz MCUPSANTGKOEHP-UHFFFAOYSA-N -1 1 486.977 5.187 40 0 JKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1C ZINC000216465078 569879004 /nfs/dbraw/zinc/87/90/04/569879004.db2.gz BWXSTJKCVGYRDO-KRWDZBQOSA-N -1 1 458.967 5.164 40 0 JKABMM CCCCOC(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000216479313 569879086 /nfs/dbraw/zinc/87/90/86/569879086.db2.gz PHNPWEIDVOGJOQ-UHFFFAOYSA-N -1 1 486.977 5.350 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2C)c1 ZINC000222560547 569885837 /nfs/dbraw/zinc/88/58/37/569885837.db2.gz IQPKHTWPPMSTAI-UHFFFAOYSA-N -1 1 462.493 5.053 40 0 JKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c2ccccc2O1 ZINC000222673634 569888191 /nfs/dbraw/zinc/88/81/91/569888191.db2.gz BSHIZNYGKMRUSI-XMMPIXPASA-N -1 1 478.614 5.608 40 0 JKABMM CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c([O-])c(Cl)c3Br)N21 ZINC000222673456 569888221 /nfs/dbraw/zinc/88/82/21/569888221.db2.gz CFWKEYLMPKPARW-PZDALLCQSA-N -1 1 468.804 5.191 40 0 JKABMM CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c(Br)c(Cl)c1[O-] ZINC000222687575 569888516 /nfs/dbraw/zinc/88/85/16/569888516.db2.gz PVQWDRHQUVOMGA-AFBMGJRZSA-N -1 1 482.831 5.581 40 0 JKABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc21 ZINC000222733678 569889833 /nfs/dbraw/zinc/88/98/33/569889833.db2.gz QFIRGBSQKMNVAJ-UHFFFAOYSA-N -1 1 476.642 5.254 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)c1C ZINC000222770880 569890711 /nfs/dbraw/zinc/89/07/11/569890711.db2.gz IWZMKLVBPGUOFH-UHFFFAOYSA-N -1 1 458.583 5.496 40 0 JKABMM O=C(NCc1ccc2ccccc2c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000222794286 569891256 /nfs/dbraw/zinc/89/12/56/569891256.db2.gz BHGSNYYPVUCCRB-UHFFFAOYSA-N -1 1 450.947 5.224 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccc4ccccc4c3)c2)cc1 ZINC000222794195 569891262 /nfs/dbraw/zinc/89/12/62/569891262.db2.gz JPIQIVRSKVZYSQ-UHFFFAOYSA-N -1 1 464.974 5.532 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1 ZINC000222933640 569894773 /nfs/dbraw/zinc/89/47/73/569894773.db2.gz FELXCGKODLVGDT-NRFANRHFSA-N -1 1 476.642 5.782 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1 ZINC000222933845 569894805 /nfs/dbraw/zinc/89/48/05/569894805.db2.gz HWIMEAUMFIADTO-OAQYLSRUSA-N -1 1 476.642 5.782 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1C ZINC000222932965 569894807 /nfs/dbraw/zinc/89/48/07/569894807.db2.gz WGRLZCXDNKQHGR-HXUWFJFHSA-N -1 1 462.615 5.474 40 0 JKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc2c(c1)CCCC2 ZINC000223054845 569897898 /nfs/dbraw/zinc/89/78/98/569897898.db2.gz HXRDVYSVCAJBFC-SANMLTNESA-N -1 1 462.615 5.556 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2c(c1)CCCC2 ZINC000223055132 569897911 /nfs/dbraw/zinc/89/79/11/569897911.db2.gz WGOXCVQATLASAI-VWLOTQADSA-N -1 1 462.615 5.556 40 0 JKABMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C)c1ccc2c(c1)CCCC2 ZINC000223067500 569898367 /nfs/dbraw/zinc/89/83/67/569898367.db2.gz RFAAMBDCHFGLSV-RUZDIDTESA-N -1 1 462.615 5.556 40 0 JKABMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C)c1ccc2c(c1)CCCC2 ZINC000223067621 569898384 /nfs/dbraw/zinc/89/83/84/569898384.db2.gz AZBLEHDQXSGAKT-AREMUKBSSA-N -1 1 476.642 5.864 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1)c1ccc2c(c1)CCCC2 ZINC000223068028 569898394 /nfs/dbraw/zinc/89/83/94/569898394.db2.gz FMTHPZUMGGFKMP-AREMUKBSSA-N -1 1 476.642 5.864 40 0 JKABMM CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223095099 569899232 /nfs/dbraw/zinc/89/92/32/569899232.db2.gz QYOOCNQVLUPEFK-SANMLTNESA-N -1 1 497.060 6.209 40 0 JKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223095405 569899343 /nfs/dbraw/zinc/89/93/43/569899343.db2.gz ILFWNKNUALKUHV-SANMLTNESA-N -1 1 497.060 6.209 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)c2)cc1 ZINC000223216841 569903824 /nfs/dbraw/zinc/90/38/24/569903824.db2.gz NVSABGTWADKISD-KRWDZBQOSA-N -1 1 469.006 5.429 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)c2)cc1 ZINC000223216902 569903826 /nfs/dbraw/zinc/90/38/26/569903826.db2.gz NVSABGTWADKISD-QGZVFWFLSA-N -1 1 469.006 5.429 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)c(Cl)c2)cc1 ZINC000223217107 569903838 /nfs/dbraw/zinc/90/38/38/569903838.db2.gz JKPGTMQRYQIGQA-KRWDZBQOSA-N -1 1 469.006 5.429 40 0 JKABMM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)s2)cc1 ZINC000223232947 569904368 /nfs/dbraw/zinc/90/43/68/569904368.db2.gz XLODWEUCXOHIAS-UHFFFAOYSA-N -1 1 492.626 5.492 40 0 JKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc(OC)c(C)c1 ZINC000223242615 569904736 /nfs/dbraw/zinc/90/47/36/569904736.db2.gz CKWGNAOBIJWTOC-HSZRJFAPSA-N -1 1 480.630 5.611 40 0 JKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1C(C)C ZINC000223313170 569907042 /nfs/dbraw/zinc/90/70/42/569907042.db2.gz OCHMBMKMVWFJPX-HXUWFJFHSA-N -1 1 480.630 5.727 40 0 JKABMM CCc1ccc(CC)c(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000223369639 569909143 /nfs/dbraw/zinc/90/91/43/569909143.db2.gz BPYSLCPJECDYLB-UHFFFAOYSA-N -1 1 464.631 5.467 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)ccc2C)c1 ZINC000223427552 569910992 /nfs/dbraw/zinc/91/09/92/569910992.db2.gz ROTVKQJDHZCCHG-JOCHJYFZSA-N -1 1 464.631 5.829 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)Cc3ccccc3)ccc2C)c1C ZINC000223458618 569911943 /nfs/dbraw/zinc/91/19/43/569911943.db2.gz FZFKPOYENODNLL-UHFFFAOYSA-N -1 1 450.604 5.164 40 0 JKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc2O1 ZINC000223507798 569913975 /nfs/dbraw/zinc/91/39/75/569913975.db2.gz RSWLSWICSZSRGA-XMMPIXPASA-N -1 1 478.614 5.608 40 0 JKABMM CCc1ccc(CC)c(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000223528024 569914622 /nfs/dbraw/zinc/91/46/22/569914622.db2.gz CGFYWVYLAVEGQB-UHFFFAOYSA-N -1 1 464.631 5.467 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOc2cccc3ccccc32)ccc1C ZINC000223528658 569914650 /nfs/dbraw/zinc/91/46/50/569914650.db2.gz UAUOUQQYOXYIBT-UHFFFAOYSA-N -1 1 474.582 5.066 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCOc3cccc4ccccc43)ccc2C)cc1 ZINC000223534887 569914939 /nfs/dbraw/zinc/91/49/39/569914939.db2.gz CSAQWEUOWOZZBG-UHFFFAOYSA-N -1 1 474.582 5.066 40 0 JKABMM O=C(NCCOc1ccc2ccccc2c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000223620991 569918142 /nfs/dbraw/zinc/91/81/42/569918142.db2.gz NNWRBFOFDHNPIV-UHFFFAOYSA-N -1 1 480.973 5.103 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)cc1 ZINC000223654440 569919098 /nfs/dbraw/zinc/91/90/98/569919098.db2.gz HXQXKEODEMOSKG-UHFFFAOYSA-N -1 1 496.639 5.192 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C(C)(C)C)ccc2C)c1 ZINC000223689594 569920046 /nfs/dbraw/zinc/92/00/46/569920046.db2.gz YCLXTSGGUZJUNX-UHFFFAOYSA-N -1 1 480.630 5.211 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C(C)(C)C)ccc2C)cc1C ZINC000223689845 569920076 /nfs/dbraw/zinc/92/00/76/569920076.db2.gz QXYVWTUTOMAULA-UHFFFAOYSA-N -1 1 494.657 5.519 40 0 JKABMM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)s2)cc1 ZINC000223747183 569921966 /nfs/dbraw/zinc/92/19/66/569921966.db2.gz JUOUEQFGXATMLA-UHFFFAOYSA-N -1 1 478.599 5.183 40 0 JKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2C(C)C)ccc1C ZINC000223767159 569922667 /nfs/dbraw/zinc/92/26/67/569922667.db2.gz YJKWFRHQKCASCO-UHFFFAOYSA-N -1 1 466.603 5.036 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2C)cc1 ZINC000223773489 569922850 /nfs/dbraw/zinc/92/28/50/569922850.db2.gz WKCVELTVUDOFSK-UHFFFAOYSA-N -1 1 466.603 5.036 40 0 JKABMM CC(C)c1ccccc1OCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000223788461 569923393 /nfs/dbraw/zinc/92/33/93/569923393.db2.gz HALNRNCFXWNYOU-UHFFFAOYSA-N -1 1 472.994 5.073 40 0 JKABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)ccc1C ZINC000223855886 569925247 /nfs/dbraw/zinc/92/52/47/569925247.db2.gz ZSAMXIQZQQCGFS-UHFFFAOYSA-N -1 1 461.992 5.528 40 0 JKABMM Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1[N-]S(=O)(=O)c1ccccc1 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/nfs/dbraw/zinc/93/85/92/569938592.db2.gz SJGNYOFNBBUKRQ-DEOSSOPVSA-N -1 1 492.641 5.917 40 0 JKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c2ccccc2O1 ZINC000224266954 569938600 /nfs/dbraw/zinc/93/86/00/569938600.db2.gz SJGNYOFNBBUKRQ-XMMPIXPASA-N -1 1 492.641 5.917 40 0 JKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000224328018 569940855 /nfs/dbraw/zinc/94/08/55/569940855.db2.gz XBBBLVBBRUQAFW-UHFFFAOYSA-N -1 1 495.670 5.211 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)oc3ccccc34)c2)cc1 ZINC000224400950 569943370 /nfs/dbraw/zinc/94/33/70/569943370.db2.gz USXXLJSVGGNGPM-UHFFFAOYSA-N -1 1 490.968 6.601 40 0 JKABMM O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224403037 569943416 /nfs/dbraw/zinc/94/34/16/569943416.db2.gz SVSMXRVZZHBBJZ-UHFFFAOYSA-N -1 1 477.973 5.379 40 0 JKABMM O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224403422 569943482 /nfs/dbraw/zinc/94/34/82/569943482.db2.gz QXKNYZILOQMRBW-UHFFFAOYSA-N -1 1 462.958 5.645 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)c(Cl)c2)cc1 ZINC000224405549 569943565 /nfs/dbraw/zinc/94/35/65/569943565.db2.gz ZFPRZUAEUYVAIM-UHFFFAOYSA-N -1 1 476.985 5.953 40 0 JKABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1C ZINC000224456762 569945125 /nfs/dbraw/zinc/94/51/25/569945125.db2.gz NUFSJKSKSIOGDG-UHFFFAOYSA-N -1 1 465.571 5.111 40 0 JKABMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C)c1ccc(OC)c(C)c1 ZINC000224613270 569950753 /nfs/dbraw/zinc/95/07/53/569950753.db2.gz XVSHMAFXIQIQNT-HSZRJFAPSA-N -1 1 466.603 5.302 40 0 JKABMM CCc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000224788455 569957569 /nfs/dbraw/zinc/95/75/69/569957569.db2.gz PTPVRNRDIWZKRW-KRWDZBQOSA-N -1 1 456.995 5.503 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccc2C)cc1C ZINC000224911693 569963088 /nfs/dbraw/zinc/96/30/88/569963088.db2.gz LSKJWZXFNYMLTR-UHFFFAOYSA-N -1 1 463.603 5.265 40 0 JKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccc(OC)c(C)c1 ZINC000224953597 569964804 /nfs/dbraw/zinc/96/48/04/569964804.db2.gz QAKGPBXFKRAJNI-QHCPKHFHSA-N -1 1 480.630 5.611 40 0 JKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)cc1 ZINC000224965606 569965671 /nfs/dbraw/zinc/96/56/71/569965671.db2.gz FEAKYZZRCYWSAA-UHFFFAOYSA-N -1 1 484.021 5.692 40 0 JKABMM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c1 ZINC000408595118 569965979 /nfs/dbraw/zinc/96/59/79/569965979.db2.gz TXNOWKFFKFVADN-UHFFFAOYSA-N -1 1 498.910 5.486 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000224973071 569966396 /nfs/dbraw/zinc/96/63/96/569966396.db2.gz UAOZEKWLASYQNN-UHFFFAOYSA-N -1 1 456.567 5.644 40 0 JKABMM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000224973925 569966540 /nfs/dbraw/zinc/96/65/40/569966540.db2.gz HHVCDZPATVXGJW-UHFFFAOYSA-N -1 1 476.985 5.989 40 0 JKABMM 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CCC1(CC)C[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c2ccccc2O1 ZINC000225013588 569969223 /nfs/dbraw/zinc/96/92/23/569969223.db2.gz KJDZYCFWOOMREY-QHCPKHFHSA-N -1 1 464.587 5.300 40 0 JKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 ZINC000408602347 569969608 /nfs/dbraw/zinc/96/96/08/569969608.db2.gz DAYSQRPPQGRZDB-UHFFFAOYSA-N -1 1 466.559 5.005 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2C)c1 ZINC000408603920 569970159 /nfs/dbraw/zinc/97/01/59/569970159.db2.gz GKUIYADLFUNRQO-NRFANRHFSA-N -1 1 450.604 5.164 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc2C)c1 ZINC000408603925 569970168 /nfs/dbraw/zinc/97/01/68/569970168.db2.gz GKUIYADLFUNRQO-OAQYLSRUSA-N -1 1 450.604 5.164 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccccc1C(F)(F)F ZINC000408605783 569971008 /nfs/dbraw/zinc/97/10/08/569971008.db2.gz NLXWPSCBLGKCRF-UHFFFAOYSA-N -1 1 484.883 5.177 40 0 JKABMM 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O=C([O-])C(=Cc1c2ccccc2[nH]c1-c1ccccc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632973 569984175 /nfs/dbraw/zinc/98/41/75/569984175.db2.gz IIQLZMVWLIMAJR-STZFKDTASA-N -1 1 472.957 6.491 40 0 JKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccc(OCc3ccccc3)c2)C(=O)[O-])n1 ZINC000408633080 569984213 /nfs/dbraw/zinc/98/42/13/569984213.db2.gz VTMOYLHEWQXIBL-XKZIYDEJSA-N -1 1 493.972 5.931 40 0 JKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OC(C)C)c3ccccc23)C(=O)[O-])n1 ZINC000408633422 569984509 /nfs/dbraw/zinc/98/45/09/569984509.db2.gz YIOAXMPOLQNXEI-UUYOSTAYSA-N -1 1 495.988 6.292 40 0 JKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)[O-])n1 ZINC000408633640 569984657 /nfs/dbraw/zinc/98/46/57/569984657.db2.gz OHRUWQQSZBWTLY-ODLFYWEKSA-N -1 1 488.352 6.265 40 0 JKABMM CCOc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(Cl)c1OC ZINC000408633915 569984783 /nfs/dbraw/zinc/98/47/83/569984783.db2.gz NITOHNAMJSJLEY-YBEGLDIGSA-N -1 1 466.346 5.404 40 0 JKABMM 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Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1C ZINC000408635888 569986217 /nfs/dbraw/zinc/98/62/17/569986217.db2.gz JAYXTTFZDBMRHN-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636114 569986453 /nfs/dbraw/zinc/98/64/53/569986453.db2.gz LIZZOSQCYDNAMU-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM CCC1(CC)C[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c2ccccc2O1 ZINC000225273832 569987481 /nfs/dbraw/zinc/98/74/81/569987481.db2.gz DJHAAEFBSQIAKZ-QHCPKHFHSA-N -1 1 499.032 5.953 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)Cc3ccccc3)ccc2C)c(C)c1 ZINC000225358132 569992785 /nfs/dbraw/zinc/99/27/85/569992785.db2.gz AFFHMBBPXZKVSV-UHFFFAOYSA-N -1 1 450.604 5.164 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SCC(C)C)s3)ccc2C)c1 ZINC000225365775 569993194 /nfs/dbraw/zinc/99/31/94/569993194.db2.gz HAQDYGAOWISLHM-UHFFFAOYSA-N -1 1 490.676 5.265 40 0 JKABMM 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CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408705934 570024981 /nfs/dbraw/zinc/02/49/81/570024981.db2.gz QOSJTYMNBKQHQD-QHCPKHFHSA-N -1 1 488.993 5.254 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)c1 ZINC000408706160 570025089 /nfs/dbraw/zinc/02/50/89/570025089.db2.gz WMJBYIXWHTZOGG-UHFFFAOYSA-N -1 1 463.603 5.347 40 0 JKABMM COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)c(Br)cc1OCc1ccccc1 ZINC000408735851 570030316 /nfs/dbraw/zinc/03/03/16/570030316.db2.gz YNKGSUCPPIMJOJ-UHFFFAOYSA-N -1 1 471.376 6.031 40 0 JKABMM Cc1nc(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)c2)cs1 ZINC000226053225 570034572 /nfs/dbraw/zinc/03/45/72/570034572.db2.gz YGNCTZASQNRCCD-UHFFFAOYSA-N -1 1 491.638 5.799 40 0 JKABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@@H](c2c(OC)ccc3ccccc32)C1C(=O)OCC ZINC000408869624 570059177 /nfs/dbraw/zinc/05/91/77/570059177.db2.gz SMWBUHIDLINXTE-XMMPIXPASA-N -1 1 490.581 5.317 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000408906865 570071028 /nfs/dbraw/zinc/07/10/28/570071028.db2.gz JPMJCPCJNIODQM-NTEUORMPSA-N -1 1 461.370 5.755 40 0 JKABMM O=C(CSCc1cccc(Br)c1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408920431 570076866 /nfs/dbraw/zinc/07/68/66/570076866.db2.gz HLYIBEWKRAZCIE-UHFFFAOYSA-N -1 1 491.432 5.122 40 0 JKABMM O=C(CSCc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408920653 570076998 /nfs/dbraw/zinc/07/69/98/570076998.db2.gz LXVYGXUCYMNPBS-UHFFFAOYSA-N -1 1 481.426 5.666 40 0 JKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 ZINC000408921145 570077168 /nfs/dbraw/zinc/07/71/68/570077168.db2.gz FGQVEBUKCIARSI-UHFFFAOYSA-N -1 1 454.857 5.412 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1 ZINC000408921731 570077498 /nfs/dbraw/zinc/07/74/98/570077498.db2.gz WCWIAVIIJTXODX-MRXNPFEDSA-N -1 1 461.008 5.569 40 0 JKABMM O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408922828 570077690 /nfs/dbraw/zinc/07/76/90/570077690.db2.gz TXAYHRHECWBVMH-UHFFFAOYSA-N -1 1 468.884 5.341 40 0 JKABMM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408923428 570077821 /nfs/dbraw/zinc/07/78/21/570077821.db2.gz COPJEZDNLTWCQA-MRXNPFEDSA-N -1 1 494.560 5.767 40 0 JKABMM Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000408924238 570077974 /nfs/dbraw/zinc/07/79/74/570077974.db2.gz DYGXBLYBSMIYNH-UHFFFAOYSA-N -1 1 490.650 6.129 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3C)cc2)c1 ZINC000408924097 570078013 /nfs/dbraw/zinc/07/80/13/570078013.db2.gz NVWPRMLJMHXBSL-UHFFFAOYSA-N -1 1 454.617 5.285 40 0 JKABMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccccc2)cc1 ZINC000408926115 570078411 /nfs/dbraw/zinc/07/84/11/570078411.db2.gz XPEJHTBSDUYPFE-VFCFBJKWSA-N -1 1 498.604 5.984 40 0 JKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000408926794 570078733 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Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000409178098 570157821 /nfs/dbraw/zinc/15/78/21/570157821.db2.gz GIMNZNOLOARAIL-UHFFFAOYSA-N -1 1 475.035 5.879 40 0 JKABMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000409180454 570158903 /nfs/dbraw/zinc/15/89/03/570158903.db2.gz SZYHGIUJENXIKM-INIZCTEOSA-N -1 1 494.560 5.934 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1Cl ZINC000409182222 570159733 /nfs/dbraw/zinc/15/97/33/570159733.db2.gz JIMYFJIWONYHLC-WLRTZDKTSA-N -1 1 461.370 5.755 40 0 JKABMM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000409182819 570159991 /nfs/dbraw/zinc/15/99/91/570159991.db2.gz OTWAWURWOZEHOO-MRXNPFEDSA-N -1 1 461.008 5.569 40 0 JKABMM Cc1n[nH]c(SC(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)[O-])n1 ZINC000409196060 570163601 /nfs/dbraw/zinc/16/36/01/570163601.db2.gz YNWGQBWILTZKIB-MFOYZWKCSA-N -1 1 480.771 5.326 40 0 JKABMM Cc1nc(SC(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)[O-])n[nH]1 ZINC000409196060 570163602 /nfs/dbraw/zinc/16/36/02/570163602.db2.gz YNWGQBWILTZKIB-MFOYZWKCSA-N -1 1 480.771 5.326 40 0 JKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OC(=O)c1ccc(F)cc1 ZINC000409261039 570187535 /nfs/dbraw/zinc/18/75/35/570187535.db2.gz AHVJFFWVCNSKEK-UHFFFAOYSA-N -1 1 464.518 5.700 40 0 JKABMM Cc1c(C=O)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(C)n1-c1ccc(Br)cc1 ZINC000409265295 570188356 /nfs/dbraw/zinc/18/83/56/570188356.db2.gz RYLSLYBEOIFPGZ-UHFFFAOYSA-N -1 1 482.403 5.925 40 0 JKABMM COc1cccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c1OCc1ccc(Cl)cc1Cl ZINC000409266209 570188460 /nfs/dbraw/zinc/18/84/60/570188460.db2.gz PEMRUTSSKHZWRM-UHFFFAOYSA-N -1 1 487.408 6.837 40 0 JKABMM CC(C)(C)c1ccc(OCCOc2ccccc2-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1 ZINC000409269107 570189017 /nfs/dbraw/zinc/18/90/17/570189017.db2.gz FGPXGWNPGGNQHW-UHFFFAOYSA-N -1 1 474.626 6.698 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NCCC1=CCCCC1 ZINC000408535817 570190218 /nfs/dbraw/zinc/19/02/18/570190218.db2.gz WWWBOCMIQJVFNL-UHFFFAOYSA-N -1 1 483.417 5.180 40 0 JKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2C)c1 ZINC000408543029 570191983 /nfs/dbraw/zinc/19/19/83/570191983.db2.gz BYGBVHVNJXPZAD-UHFFFAOYSA-N -1 1 489.062 5.588 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2C)c1C ZINC000408542971 570192004 /nfs/dbraw/zinc/19/20/04/570192004.db2.gz BNTDNTYPCWOSHT-UHFFFAOYSA-N -1 1 476.642 5.508 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2C)c1 ZINC000408545624 570192944 /nfs/dbraw/zinc/19/29/44/570192944.db2.gz LTGXMCWDFVDWHL-UHFFFAOYSA-N -1 1 486.593 5.936 40 0 JKABMM Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408545723 570192949 /nfs/dbraw/zinc/19/29/49/570192949.db2.gz NDVZLRRJBOALLE-UHFFFAOYSA-N -1 1 468.884 5.720 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2C)c1C ZINC000408545793 570193122 /nfs/dbraw/zinc/19/31/22/570193122.db2.gz OKEFBHVJJUIULK-UHFFFAOYSA-N -1 1 498.048 5.028 40 0 JKABMM Cc1ccc(SCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000408546211 570193200 /nfs/dbraw/zinc/19/32/00/570193200.db2.gz RKSLUDORLJLEHR-UHFFFAOYSA-N -1 1 468.644 5.243 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2C)c(C)c1 ZINC000408546043 570193207 /nfs/dbraw/zinc/19/32/07/570193207.db2.gz PQPYGJDNWPZBJZ-UHFFFAOYSA-N -1 1 462.493 5.684 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)c(C)c1 ZINC000408546206 570193223 /nfs/dbraw/zinc/19/32/23/570193223.db2.gz CTUJSXSIDSTPJE-UHFFFAOYSA-N -1 1 496.938 6.337 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 ZINC000408546837 570193461 /nfs/dbraw/zinc/19/34/61/570193461.db2.gz WJJKXDPSTZQTOO-UHFFFAOYSA-N -1 1 470.594 6.332 40 0 JKABMM COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000408546845 570193559 /nfs/dbraw/zinc/19/35/59/570193559.db2.gz WMUYRPRCAGIJQF-UHFFFAOYSA-N -1 1 458.967 5.327 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)c(C)c1 ZINC000408547268 570193644 /nfs/dbraw/zinc/19/36/44/570193644.db2.gz YBHMHPMCTJIOQL-UHFFFAOYSA-N -1 1 462.493 5.684 40 0 JKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc2C)c1 ZINC000408548437 570194206 /nfs/dbraw/zinc/19/42/06/570194206.db2.gz RPTCQCHVIYKIHR-UHFFFAOYSA-N -1 1 498.048 5.028 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408550605 570194995 /nfs/dbraw/zinc/19/49/95/570194995.db2.gz FMZUDWJESQZCNE-UHFFFAOYSA-N -1 1 495.782 5.164 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NC1CCCCCC1 ZINC000408550442 570195028 /nfs/dbraw/zinc/19/50/28/570195028.db2.gz CCODSGIWMHKXIY-UHFFFAOYSA-N -1 1 471.406 5.012 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccccc1F ZINC000408551454 570195212 /nfs/dbraw/zinc/19/52/12/570195212.db2.gz KVLUQXIUWAVJDG-UHFFFAOYSA-N -1 1 469.321 5.194 40 0 JKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1cccc(Cl)c1 ZINC000408553866 570195976 /nfs/dbraw/zinc/19/59/76/570195976.db2.gz QUDGAOXXRYQKGC-UHFFFAOYSA-N -1 1 485.776 5.465 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000408555165 570196768 /nfs/dbraw/zinc/19/67/68/570196768.db2.gz FBIFVWCTDMKMKE-UHFFFAOYSA-N -1 1 465.358 5.364 40 0 JKABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1Cl ZINC000408556054 570197212 /nfs/dbraw/zinc/19/72/12/570197212.db2.gz ZCRKLBBAUPSZQY-UHFFFAOYSA-N -1 1 499.803 5.774 40 0 JKABMM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1C ZINC000408556226 570197285 /nfs/dbraw/zinc/19/72/85/570197285.db2.gz ZQXSVODEANPCIN-UHFFFAOYSA-N -1 1 479.385 5.429 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558763 570199168 /nfs/dbraw/zinc/19/91/68/570199168.db2.gz SYIXQFDKEPIGQW-UHFFFAOYSA-N -1 1 480.973 5.945 40 0 JKABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408559500 570199743 /nfs/dbraw/zinc/19/97/43/570199743.db2.gz XLCCIAKWGAKXNI-UHFFFAOYSA-N -1 1 499.803 6.017 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559570 570199864 /nfs/dbraw/zinc/19/98/64/570199864.db2.gz MOGUPVBNCOPOIE-UHFFFAOYSA-N -1 1 498.910 5.811 40 0 JKABMM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408561252 570200930 /nfs/dbraw/zinc/20/09/30/570200930.db2.gz RMYKUKICQKIVHE-UHFFFAOYSA-N -1 1 495.384 5.129 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccccc1 ZINC000408561873 570201345 /nfs/dbraw/zinc/20/13/45/570201345.db2.gz WIQUPUSBSZPZIG-UHFFFAOYSA-N -1 1 464.465 5.157 40 0 JKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408562406 570201777 /nfs/dbraw/zinc/20/17/77/570201777.db2.gz ZPEWDCMDAGFEIF-UHFFFAOYSA-N -1 1 483.348 5.584 40 0 JKABMM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408563688 570202415 /nfs/dbraw/zinc/20/24/15/570202415.db2.gz NZSCZDQAJPCYQK-UHFFFAOYSA-N -1 1 481.357 5.064 40 0 JKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)c1 ZINC000408579639 570206537 /nfs/dbraw/zinc/20/65/37/570206537.db2.gz IXKIBGRRBFBTCZ-UHFFFAOYSA-N -1 1 463.386 5.972 40 0 JKABMM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C(=O)NC1CCCCC1 ZINC000408586230 570208112 /nfs/dbraw/zinc/20/81/12/570208112.db2.gz ATZUSDWMVCNHNJ-AWEZNQCLSA-N -1 1 471.406 5.010 40 0 JKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000408586308 570208166 /nfs/dbraw/zinc/20/81/66/570208166.db2.gz NIQHFJKTQJFNRY-UHFFFAOYSA-N -1 1 496.585 5.014 40 0 JKABMM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)c(C)c1 ZINC000408589293 570208728 /nfs/dbraw/zinc/20/87/28/570208728.db2.gz GVQLFYITPSXMNE-UHFFFAOYSA-N -1 1 458.967 5.084 40 0 JKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccccc3Oc3ccccc3)cc2)cc1 ZINC000408590955 570209151 /nfs/dbraw/zinc/20/91/51/570209151.db2.gz HJXKWWUVHUUWBE-UHFFFAOYSA-N -1 1 486.593 6.159 40 0 JKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(NC(=O)N4CCCCC4)cc3)ccc21 ZINC000408590944 570209159 /nfs/dbraw/zinc/20/91/59/570209159.db2.gz HJBLYBGJVQZVLY-UHFFFAOYSA-N -1 1 476.602 5.633 40 0 JKABMM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408592089 570209373 /nfs/dbraw/zinc/20/93/73/570209373.db2.gz NTLZDAHRSPXILO-UHFFFAOYSA-N -1 1 472.994 5.590 40 0 JKABMM