smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)N4CCCCC4)n3C)cc2)cc1 ZINC000006088896 525594776 /nfs/dbraw/zinc/59/47/76/525594776.db2.gz QPSMZXWUCAGJOA-UHFFFAOYSA-N -1 1 485.635 3.696 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)cc2)c1 ZINC000022537068 526209617 /nfs/dbraw/zinc/20/96/17/526209617.db2.gz OULSKSURVVTQAH-INIZCTEOSA-N -1 1 458.511 3.891 40 0 JHABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Br)s1 ZINC000022513676 527249845 /nfs/dbraw/zinc/24/98/45/527249845.db2.gz NSEWQALXLMDRGN-UHFFFAOYSA-N -1 1 474.383 3.507 40 0 JHABMM O=S(=O)([N-]c1ccccn1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000022513676 527249848 /nfs/dbraw/zinc/24/98/48/527249848.db2.gz NSEWQALXLMDRGN-UHFFFAOYSA-N -1 1 474.383 3.507 40 0 JHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc(OC)c1OC ZINC000013567388 555504965 /nfs/dbraw/zinc/50/49/65/555504965.db2.gz KFMWJDBYJLCRHA-CQSZACIVSA-N -1 1 471.510 3.701 40 0 JHABMM Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013677222 555568075 /nfs/dbraw/zinc/56/80/75/555568075.db2.gz NUFWCBLVLKXVGU-HXUWFJFHSA-N -1 1 493.585 3.957 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3OC)cc2)c1 ZINC000020021014 555598149 /nfs/dbraw/zinc/59/81/49/555598149.db2.gz FSGSONMXWUJLRS-QGZVFWFLSA-N -1 1 470.547 3.761 40 0 JHABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1C ZINC000010112304 555625229 /nfs/dbraw/zinc/62/52/29/555625229.db2.gz FMAKMLGUZASQMK-UHFFFAOYSA-N -1 1 474.579 3.997 40 0 JHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c(C)c1 ZINC000010112382 555625758 /nfs/dbraw/zinc/62/57/58/555625758.db2.gz DUVKORHJSSZHLL-UHFFFAOYSA-N -1 1 474.579 3.853 40 0 JHABMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000020104204 555636251 /nfs/dbraw/zinc/63/62/51/555636251.db2.gz BROILOLVPBIORR-UHFFFAOYSA-N -1 1 488.587 3.833 40 0 JHABMM COCCCNC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010363414 555697432 /nfs/dbraw/zinc/69/74/32/555697432.db2.gz FKBHVKNXEJLXMK-UHFFFAOYSA-N -1 1 481.574 3.814 40 0 JHABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000012484482 555986668 /nfs/dbraw/zinc/98/66/68/555986668.db2.gz OVJUMKKXJONRTI-UHFFFAOYSA-N -1 1 489.575 3.645 40 0 JHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCOCC1 ZINC000026117746 556247232 /nfs/dbraw/zinc/24/72/32/556247232.db2.gz GMSWLDWRUJOYPK-UHFFFAOYSA-N -1 1 461.392 3.989 40 0 JHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000028206631 556317351 /nfs/dbraw/zinc/31/73/51/556317351.db2.gz CRHOMGRPEXNAIX-UHFFFAOYSA-N -1 1 450.516 3.867 40 0 JHABMM CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4CC)[n-]c(=O)c32)cc1 ZINC000040390465 569824852 /nfs/dbraw/zinc/82/48/52/569824852.db2.gz MWTSLASUCLHMEY-RBUKOAKNSA-N -1 1 495.580 3.560 40 0 JHABMM O=C(NCc1ccccc1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399544 569826819 /nfs/dbraw/zinc/82/68/19/569826819.db2.gz WDAMFLGFEYJRKL-ZDUSSCGKSA-N -1 1 458.305 3.563 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)cc1 ZINC000113936384 569862413 /nfs/dbraw/zinc/86/24/13/569862413.db2.gz GPBOGQGOKIHLBZ-UHFFFAOYSA-N -1 1 479.558 3.521 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)c1 ZINC000222735022 569889867 /nfs/dbraw/zinc/88/98/67/569889867.db2.gz GUQSPMUKCXQEPH-KRWDZBQOSA-N -1 1 452.532 3.853 40 0 JHABMM COc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000224402836 569943402 /nfs/dbraw/zinc/94/34/02/569943402.db2.gz FJMKGYRZZMZSMZ-UHFFFAOYSA-N -1 1 460.939 3.958 40 0 JHABMM Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224997463 569968143 /nfs/dbraw/zinc/96/81/43/569968143.db2.gz JPIKJMUMOFWEDA-UHFFFAOYSA-N -1 1 451.548 3.885 40 0 JHABMM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408605854 569971039 /nfs/dbraw/zinc/97/10/39/569971039.db2.gz NRSZAMNKZIZVEA-UHFFFAOYSA-N -1 1 480.892 3.691 40 0 JHABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2COc3ccccc3O2)ccc1C ZINC000225250677 569985767 /nfs/dbraw/zinc/98/57/67/569985767.db2.gz FFCXDOWQNLEKMN-LJQANCHMSA-N -1 1 452.532 3.674 40 0 JHABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)ccc1Cl ZINC000408693268 570015830 /nfs/dbraw/zinc/01/58/30/570015830.db2.gz MBEJGGULBPRLPB-UHFFFAOYSA-N -1 1 466.943 3.562 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1F ZINC000408694015 570016681 /nfs/dbraw/zinc/01/66/81/570016681.db2.gz HEFLAVSUPVVSIU-UHFFFAOYSA-N -1 1 450.513 3.744 40 0 JHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408588241 570208517 /nfs/dbraw/zinc/20/85/17/570208517.db2.gz DAPXIJQCTAINSS-SFHVURJKSA-N -1 1 476.595 3.984 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(C)=O)c3)cc2)c1 ZINC000408589350 570208777 /nfs/dbraw/zinc/20/87/77/570208777.db2.gz HDFQWUFKRRJNCA-UHFFFAOYSA-N -1 1 454.504 3.716 40 0 JHABMM Cc1cc(C)c2nc(Nc3nc(CSc4nnnn4-c4ccccc4)cc(=O)[n-]3)nc(C)c2c1 ZINC000020798065 195226411 /nfs/dbraw/zinc/22/64/11/195226411.db2.gz XESGFIDDQZODJJ-UHFFFAOYSA-N -1 1 471.550 3.650 40 0 JHABMM C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)N3)C1 ZINC000040388650 524888702 /nfs/dbraw/zinc/88/87/02/524888702.db2.gz YWSNOBZTGRVLBX-GVXVVHGQSA-N -1 1 497.905 3.989 40 0 JHABMM CCOc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)ccc1O ZINC000013153929 555359997 /nfs/dbraw/zinc/35/99/97/555359997.db2.gz GVRCKTDQJDJBPP-FRQCXROJSA-N -1 1 458.820 3.548 40 0 JHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc(OC)c1O ZINC000013567316 555504644 /nfs/dbraw/zinc/50/46/44/555504644.db2.gz HMPYKVUIOSCPQS-CQSZACIVSA-N -1 1 473.938 3.913 40 0 JHABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 ZINC000013669233 555559079 /nfs/dbraw/zinc/55/90/79/555559079.db2.gz ZVJUNUWYXASTRV-UHFFFAOYSA-N -1 1 460.552 3.607 40 0 JHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2C)cc1 ZINC000010969006 555750136 /nfs/dbraw/zinc/75/01/36/555750136.db2.gz VONFATLDMVMNSI-GOSISDBHSA-N -1 1 486.615 3.999 40 0 JHABMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1ccccc1I ZINC000015228198 555887868 /nfs/dbraw/zinc/88/78/68/555887868.db2.gz YFDZLJBCSYPYHZ-DHDCSXOGSA-N -1 1 481.267 3.843 40 0 JHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCOCC1 ZINC000026117684 556247253 /nfs/dbraw/zinc/24/72/53/556247253.db2.gz SJRATBDCCBDGSZ-UHFFFAOYSA-N -1 1 460.499 3.701 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1Br ZINC000019828982 556397326 /nfs/dbraw/zinc/39/73/26/556397326.db2.gz RAPFPSWKFGUOIQ-UHFFFAOYSA-N -1 1 468.110 3.863 40 0 JHABMM O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000101559847 569801443 /nfs/dbraw/zinc/80/14/43/569801443.db2.gz NKHPKUWUFDZUQS-WOVMCDHWSA-N -1 1 451.475 3.552 40 0 JHABMM COc1cccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000224402762 569943439 /nfs/dbraw/zinc/94/34/39/569943439.db2.gz SSOSDDOASQAHGG-UHFFFAOYSA-N -1 1 460.939 3.958 40 0 JHABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(CN3CCOCC3)c2)ccc1C ZINC000224722999 569954804 /nfs/dbraw/zinc/95/48/04/569954804.db2.gz XCWIYAZBQJHKEO-UHFFFAOYSA-N -1 1 493.629 3.866 40 0 JHABMM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(SC)c(NC(=O)C(C)C)c3)n2)c1 ZINC000224891761 569962070 /nfs/dbraw/zinc/96/20/70/569962070.db2.gz MPNZSPGZVBCIPU-UHFFFAOYSA-N -1 1 476.580 3.540 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)c1C ZINC000224927257 569963648 /nfs/dbraw/zinc/96/36/48/569963648.db2.gz MVJNURRJAUWHNT-UHFFFAOYSA-N -1 1 452.598 3.678 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)ccc2C)c1C ZINC000408615257 569974517 /nfs/dbraw/zinc/97/45/17/569974517.db2.gz OCRVJJCRZSQAHO-UHFFFAOYSA-N -1 1 478.574 3.855 40 0 JHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1NC(C)=O ZINC000225177672 569980452 /nfs/dbraw/zinc/98/04/52/569980452.db2.gz JXCVKWXALLZGPE-UHFFFAOYSA-N -1 1 497.664 3.732 40 0 JHABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2COc3ccccc3O2)ccc1C ZINC000225250712 569985778 /nfs/dbraw/zinc/98/57/78/569985778.db2.gz FFCXDOWQNLEKMN-IBGZPJMESA-N -1 1 452.532 3.674 40 0 JHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3COc4ccccc4O3)ccc2C)c(C)c1 ZINC000225251991 569985863 /nfs/dbraw/zinc/98/58/63/569985863.db2.gz ZFRNKJPBLSWTCI-FQEVSTJZSA-N -1 1 466.559 3.982 40 0 JHABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1[N-]S(C)(=O)=O ZINC000225470906 569998199 /nfs/dbraw/zinc/99/81/99/569998199.db2.gz WGROHQNJFJVMCS-RTBURBONSA-N -1 1 460.606 3.700 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1C(=O)N1CCCC1 ZINC000408693107 570015800 /nfs/dbraw/zinc/01/58/00/570015800.db2.gz HKETUCHVXSYILM-UHFFFAOYSA-N -1 1 453.358 3.803 40 0 JHABMM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2sc1=O ZINC000225706183 570016262 /nfs/dbraw/zinc/01/62/62/570016262.db2.gz QGHVCYLQEXBHGU-UHFFFAOYSA-N -1 1 495.648 3.619 40 0 JHABMM COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)ccc1F ZINC000408693933 570016550 /nfs/dbraw/zinc/01/65/50/570016550.db2.gz CELOHZULZLQQAG-UHFFFAOYSA-N -1 1 450.513 3.744 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1Cl ZINC000408713094 570025340 /nfs/dbraw/zinc/02/53/40/570025340.db2.gz KCLAKQCDLVHKQD-UHFFFAOYSA-N -1 1 466.968 3.837 40 0 JHABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000408920782 570077008 /nfs/dbraw/zinc/07/70/08/570077008.db2.gz MUYCQBFWYZVZKL-UHFFFAOYSA-N -1 1 487.603 3.509 40 0 JHABMM C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000257202507 570108523 /nfs/dbraw/zinc/10/85/23/570108523.db2.gz AMDSODQNKWXABH-WOLFRULKSA-N -1 1 489.012 3.728 40 0 JHABMM CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000257202507 570108524 /nfs/dbraw/zinc/10/85/24/570108524.db2.gz AMDSODQNKWXABH-WOLFRULKSA-N -1 1 489.012 3.728 40 0 JHABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409143956 570146011 /nfs/dbraw/zinc/14/60/11/570146011.db2.gz XCDHSYZUUGCSNO-XDHOZWIPSA-N -1 1 473.938 3.557 40 0 JHABMM Cc1c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000408547249 570193682 /nfs/dbraw/zinc/19/36/82/570193682.db2.gz XOOXBAZRVOAAGP-UHFFFAOYSA-N -1 1 476.558 3.846 40 0 JHABMM COc1cc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1OC ZINC000013567279 555504461 /nfs/dbraw/zinc/50/44/61/555504461.db2.gz CWKOBTNMFGKAEU-INIZCTEOSA-N -1 1 467.547 3.871 40 0 JHABMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)c(OC)c1OC ZINC000013567300 555504713 /nfs/dbraw/zinc/50/47/13/555504713.db2.gz QMFMLDKVHNEFAD-MRXNPFEDSA-N -1 1 467.547 3.871 40 0 JHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc(OC)c1O ZINC000013567317 555504754 /nfs/dbraw/zinc/50/47/54/555504754.db2.gz ZMBNMUVROKCBOW-ZDUSSCGKSA-N -1 1 473.938 3.913 40 0 JHABMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)c(OC)c1OC ZINC000013567356 555504769 /nfs/dbraw/zinc/50/47/69/555504769.db2.gz HVLXZZCFXOWRJI-MRXNPFEDSA-N -1 1 467.547 3.871 40 0 JHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc(OC)c1O ZINC000013567413 555504948 /nfs/dbraw/zinc/50/49/48/555504948.db2.gz BXOLIYQFGFNMFZ-HNNXBMFYSA-N -1 1 453.520 3.568 40 0 JHABMM COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Br)cc2)cc1 ZINC000013765914 555613107 /nfs/dbraw/zinc/61/31/07/555613107.db2.gz MEYUZTHDFLEREK-HDMKZQKVSA-N -1 1 473.245 3.562 40 0 JHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000010363481 555697424 /nfs/dbraw/zinc/69/74/24/555697424.db2.gz KCKXXEPXLYBDRF-UHFFFAOYSA-N -1 1 473.576 3.728 40 0 JHABMM Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O)[C@H]1C[C@@H](C)CCN31 ZINC000097956963 569747824 /nfs/dbraw/zinc/74/78/24/569747824.db2.gz IKPNHQIOFCEZNE-YOMAFEOISA-N -1 1 468.557 3.969 40 0 JHABMM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(Oc4ccccc4)cc2)CC(=O)N3)C1 ZINC000040388817 569824691 /nfs/dbraw/zinc/82/46/91/569824691.db2.gz HGCBJAFVZPMZAD-JXFKEZNVSA-N -1 1 473.533 3.863 40 0 JHABMM O=C(NC1CCCCC1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399589 569826815 /nfs/dbraw/zinc/82/68/15/569826815.db2.gz LYFHKWGPIJQAAX-GFCCVEGCSA-N -1 1 450.326 3.695 40 0 JHABMM COc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)n2)cc1OC ZINC000223630467 569918354 /nfs/dbraw/zinc/91/83/54/569918354.db2.gz JJYIPNRBIFVITD-UHFFFAOYSA-N -1 1 458.323 3.680 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 ZINC000223846112 569924944 /nfs/dbraw/zinc/92/49/44/569924944.db2.gz MGICHSGQNXPMLK-KRWDZBQOSA-N -1 1 472.588 3.690 40 0 JHABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408594465 569965453 /nfs/dbraw/zinc/96/54/53/569965453.db2.gz SHAGJKOHVXUBPR-INIZCTEOSA-N -1 1 459.568 3.662 40 0 JHABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc(C(=O)OC)c1 ZINC000408603163 569969945 /nfs/dbraw/zinc/96/99/45/569969945.db2.gz FSLWNRYHXGLQLK-UHFFFAOYSA-N -1 1 482.514 3.621 40 0 JHABMM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c(OC)c1 ZINC000408612597 569973216 /nfs/dbraw/zinc/97/32/16/569973216.db2.gz SWLUXZTVFBNGBW-INIZCTEOSA-N -1 1 462.568 3.721 40 0 JHABMM CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000408702065 570022302 /nfs/dbraw/zinc/02/23/02/570022302.db2.gz ASZFTQBCXOZPMQ-UHFFFAOYSA-N -1 1 487.603 3.834 40 0 JHABMM CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000408702401 570022423 /nfs/dbraw/zinc/02/24/23/570022423.db2.gz FNDMTPXLEHLDIS-UHFFFAOYSA-N -1 1 487.603 3.834 40 0 JHABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)c1C ZINC000408920412 570076917 /nfs/dbraw/zinc/07/69/17/570076917.db2.gz GSQQSEKAEQMCGW-UHFFFAOYSA-N -1 1 487.603 3.509 40 0 JHABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000408926175 570078399 /nfs/dbraw/zinc/07/83/99/570078399.db2.gz PUQFLYFDVNXNTI-UHFFFAOYSA-N -1 1 487.603 3.509 40 0 JHABMM COCCCN1C(=O)S/C(=C\c2cc(Br)cc(I)c2[O-])C1=O ZINC000409232802 570178406 /nfs/dbraw/zinc/17/84/06/570178406.db2.gz QEJFBMRJWOLHDD-WDZFZDKYSA-N -1 1 498.136 3.832 40 0 JHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc(OC)c1OC ZINC000013567381 555504960 /nfs/dbraw/zinc/50/49/60/555504960.db2.gz IJOTXHPISIHHOL-INIZCTEOSA-N -1 1 467.547 3.871 40 0 JHABMM COc1ccccc1N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)CC1 ZINC000013677857 555568881 /nfs/dbraw/zinc/56/88/81/555568881.db2.gz IRAYLHIRXQWEFW-UHFFFAOYSA-N -1 1 465.575 3.767 40 0 JHABMM COc1ccccc1N1CCN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000013681185 555574072 /nfs/dbraw/zinc/57/40/72/555574072.db2.gz FTWQNTIUFNVAMC-UHFFFAOYSA-N -1 1 465.575 3.767 40 0 JHABMM O=C(NCC1(c2ccccc2)CCOCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000029343086 556350544 /nfs/dbraw/zinc/35/05/44/556350544.db2.gz INVNTEUNSLINTK-UHFFFAOYSA-N -1 1 450.560 3.966 40 0 JHABMM Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)c1 ZINC000038828160 569807981 /nfs/dbraw/zinc/80/79/81/569807981.db2.gz WEQYPGBPWWZETP-QFIPXVFZSA-N -1 1 485.588 3.910 40 0 JHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)ccc2C)cc1 ZINC000115258408 569862762 /nfs/dbraw/zinc/86/27/62/569862762.db2.gz MFYLMISFAIMRRW-UHFFFAOYSA-N -1 1 464.547 3.547 40 0 JHABMM O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])[N@H+]1C[C@H]3C[C@@H](C1)c1cccc(=O)n1C3)cn2Cc1ccccc1 ZINC000217546363 569880275 /nfs/dbraw/zinc/88/02/75/569880275.db2.gz ZICYIJHPNSQZML-NUANOYTQSA-N -1 1 497.551 3.795 40 0 JHABMM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(SC)c(NC(=O)C(C)C)c3)n2)cc1 ZINC000223090469 569899151 /nfs/dbraw/zinc/89/91/51/569899151.db2.gz GIRHROBQEQVVDB-UHFFFAOYSA-N -1 1 476.580 3.540 40 0 JHABMM COc1cccc(OCCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000224399126 569943328 /nfs/dbraw/zinc/94/33/28/569943328.db2.gz BPLOSWHOVAATKB-UHFFFAOYSA-N -1 1 460.939 3.958 40 0 JHABMM Cc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224562160 569948522 /nfs/dbraw/zinc/94/85/22/569948522.db2.gz ZLCCYHHKWIDVLH-UHFFFAOYSA-N -1 1 479.602 3.558 40 0 JHABMM Cc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000224722939 569954781 /nfs/dbraw/zinc/95/47/81/569954781.db2.gz WPZHWPJZHMYQJW-UHFFFAOYSA-N -1 1 479.602 3.558 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3OC)cc2)c1 ZINC000408601306 569969064 /nfs/dbraw/zinc/96/90/64/569969064.db2.gz FHXJNOHDNHDTQB-UHFFFAOYSA-N -1 1 456.520 3.831 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)N1CCN(c2ccccc2)CC1 ZINC000408610717 569972561 /nfs/dbraw/zinc/97/25/61/569972561.db2.gz VKJXCEBKIOLOJA-UHFFFAOYSA-N -1 1 485.993 3.868 40 0 JHABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)N4CCCCCC4)c3)cc2sc1=O ZINC000225094173 569974629 /nfs/dbraw/zinc/97/46/29/569974629.db2.gz DUQYJVRMRHJQFI-UHFFFAOYSA-N -1 1 489.619 3.909 40 0 JHABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000408554186 570196120 /nfs/dbraw/zinc/19/61/20/570196120.db2.gz ZYIGGKRYHVJCGL-UHFFFAOYSA-N -1 1 458.467 3.674 40 0 JHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)c(Cl)c2)cc1 ZINC000408582342 570206921 /nfs/dbraw/zinc/20/69/21/570206921.db2.gz CKXAJSKTIQHXNF-UHFFFAOYSA-N -1 1 455.916 3.650 40 0 JHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408588239 570208533 /nfs/dbraw/zinc/20/85/33/570208533.db2.gz DAPXIJQCTAINSS-GOSISDBHSA-N -1 1 476.595 3.984 40 0 JHABMM Cc1cc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)no1 ZINC000013496112 555411205 /nfs/dbraw/zinc/41/12/05/555411205.db2.gz CAJOBKIATXITSO-UHFFFAOYSA-N -1 1 471.520 3.565 40 0 JHABMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)c(OC)c1OC ZINC000013567299 555504683 /nfs/dbraw/zinc/50/46/83/555504683.db2.gz QMFMLDKVHNEFAD-INIZCTEOSA-N -1 1 467.547 3.871 40 0 JHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc(OC)c1O ZINC000013567313 555504805 /nfs/dbraw/zinc/50/48/05/555504805.db2.gz WSIXOJGXWOYHPK-HNNXBMFYSA-N -1 1 453.520 3.568 40 0 JHABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000010112274 555625409 /nfs/dbraw/zinc/62/54/09/555625409.db2.gz ALWZLTTVBFWBAL-UHFFFAOYSA-N -1 1 460.552 3.545 40 0 JHABMM COC(=O)c1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc(C(=O)OC)c1 ZINC000010362777 555697124 /nfs/dbraw/zinc/69/71/24/555697124.db2.gz FKBUYQPXZZQCQB-UHFFFAOYSA-N -1 1 496.541 3.930 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2C)c1 ZINC000010969015 555750132 /nfs/dbraw/zinc/75/01/32/555750132.db2.gz KUCIGCCKDOXRCB-GOSISDBHSA-N -1 1 486.615 3.999 40 0 JHABMM COc1ccccc1C(c1c([O-])c2ccccc2n(C)c1=O)c1c(O)c2ccccc2n(C)c1=O ZINC000015219042 555884758 /nfs/dbraw/zinc/88/47/58/555884758.db2.gz NTCGBJQFSDUCMV-UHFFFAOYSA-N -1 1 468.509 3.990 40 0 JHABMM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)C(=O)[N-]C1=S ZINC000015227043 555887347 /nfs/dbraw/zinc/88/73/47/555887347.db2.gz BSYLYZRMORQHQL-MKMNVTDBSA-N -1 1 490.766 3.810 40 0 JHABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000026119442 556248419 /nfs/dbraw/zinc/24/84/19/556248419.db2.gz RQFDEZJVRJQWNN-UHFFFAOYSA-N -1 1 462.593 3.868 40 0 JHABMM C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(OC(F)(F)F)c1)CC(=O)N2 ZINC000059816967 569607868 /nfs/dbraw/zinc/60/78/68/569607868.db2.gz QNZSDMHJPLMWHR-TYNCELHUSA-N -1 1 479.459 3.500 40 0 JHABMM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)c1 ZINC000216237708 569877919 /nfs/dbraw/zinc/87/79/19/569877919.db2.gz KRTSHADVNVNDIF-UHFFFAOYSA-N -1 1 485.587 3.723 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2C)cc1 ZINC000223853117 569925146 /nfs/dbraw/zinc/92/51/46/569925146.db2.gz INIQALBHGLBYAY-SFHVURJKSA-N -1 1 486.615 3.999 40 0 JHABMM COc1cccc(OCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000224085428 569932789 /nfs/dbraw/zinc/93/27/89/569932789.db2.gz FGFXOEYBIMLBQC-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM COC(=O)CSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)s1 ZINC000224988903 569967680 /nfs/dbraw/zinc/96/76/80/569967680.db2.gz QVHZDRWDZABARJ-UHFFFAOYSA-N -1 1 498.995 3.510 40 0 JHABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1[N-]S(C)(=O)=O ZINC000225470632 569998194 /nfs/dbraw/zinc/99/81/94/569998194.db2.gz PGVKVCLWAXGYEK-PMACEKPBSA-N -1 1 458.565 3.540 40 0 JHABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1 ZINC000408713184 570025357 /nfs/dbraw/zinc/02/53/57/570025357.db2.gz NIEOPSOPZVGLAU-UHFFFAOYSA-N -1 1 489.575 3.743 40 0 JHABMM CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[n-]c(=O)c32)cc1 ZINC000253569871 570103797 /nfs/dbraw/zinc/10/37/97/570103797.db2.gz MWTSLASUCLHMEY-RTBURBONSA-N -1 1 495.580 3.973 40 0 JHABMM CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(CC(=O)N(CC(=O)[O-])c4ccccc4)C[C@H]3C[C@H]21 ZINC000257231107 570117341 /nfs/dbraw/zinc/11/73/41/570117341.db2.gz GFGKFXRFOJEHCH-SMXKYELJSA-N -1 1 464.562 3.744 40 0 JHABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409203514 570166477 /nfs/dbraw/zinc/16/64/77/570166477.db2.gz YLMYWBBLHGBQMW-XDHOZWIPSA-N -1 1 473.938 3.557 40 0 JHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1Cl ZINC000020494315 521521954 /nfs/dbraw/zinc/52/19/54/521521954.db2.gz CNCBNXNBQLZAET-UHFFFAOYSA-N -1 1 466.943 3.562 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(N)=O)n3Cc3ccccc3)cc2)cc1 ZINC000006088911 525594072 /nfs/dbraw/zinc/59/40/72/525594072.db2.gz GAKKURGPZQQBNE-UHFFFAOYSA-N -1 1 493.614 3.680 40 0 JHABMM Cc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Br)cc2)cc1 ZINC000036056515 526042996 /nfs/dbraw/zinc/04/29/96/526042996.db2.gz NIODRQCZEOICID-RKVPGOIHSA-N -1 1 457.246 3.861 40 0 JHABMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c(OC)c1OC ZINC000013567298 555504741 /nfs/dbraw/zinc/50/47/41/555504741.db2.gz MMCOPBYHZOPPEZ-OAHLLOKOSA-N -1 1 453.520 3.562 40 0 JHABMM COC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc(C(=O)OC)c1 ZINC000010328011 555686254 /nfs/dbraw/zinc/68/62/54/555686254.db2.gz KXLDBCGGAACMSQ-UHFFFAOYSA-N -1 1 496.541 3.930 40 0 JHABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010335307 555690132 /nfs/dbraw/zinc/69/01/32/555690132.db2.gz ZCHROIKKKDSSSG-UHFFFAOYSA-N -1 1 484.530 3.852 40 0 JHABMM Cn1c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2n(C)c1=O ZINC000038756901 569807370 /nfs/dbraw/zinc/80/73/70/569807370.db2.gz YCPUXORLLYRCKH-UHFFFAOYSA-N -1 1 470.938 3.584 40 0 JHABMM Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)c1 ZINC000038828166 569808081 /nfs/dbraw/zinc/80/80/81/569808081.db2.gz JZBVEVNOEDKBCB-NRFANRHFSA-N -1 1 485.588 3.910 40 0 JHABMM CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399192 569826234 /nfs/dbraw/zinc/82/62/34/569826234.db2.gz GHKHJUSOMFIDTN-SFHVURJKSA-N -1 1 475.505 3.535 40 0 JHABMM O=C(Oc1cccc(C=C2SC(=O)[N-]C2=O)c1)c1ccccc1I ZINC000106694342 569854716 /nfs/dbraw/zinc/85/47/16/569854716.db2.gz VHJXTISQWCLWBT-ZROIWOOFSA-N -1 1 451.241 3.834 40 0 JHABMM C[C@@H]1C[C@H](C)CN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)N3)C1 ZINC000139072391 569866961 /nfs/dbraw/zinc/86/69/61/569866961.db2.gz YWSNOBZTGRVLBX-NTZNESFSSA-N -1 1 497.905 3.989 40 0 JHABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)N2 ZINC000139110427 569867156 /nfs/dbraw/zinc/86/71/56/569867156.db2.gz VPDOURWABXODSR-DZGCQCFKSA-N -1 1 479.459 3.502 40 0 JHABMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000216412077 569878746 /nfs/dbraw/zinc/87/87/46/569878746.db2.gz GBSDXHMHSDWSHE-UHFFFAOYSA-N -1 1 474.560 3.524 40 0 JHABMM O=C([O-])c1ccc2c([C@H](C(=O)[O-])[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cn(Cc3ccccc3)c2c1 ZINC000217546601 569880223 /nfs/dbraw/zinc/88/02/23/569880223.db2.gz IIVBCPOIAKZRNP-WXJXEWBDSA-N -1 1 497.551 3.795 40 0 JHABMM Cc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000223852647 569925113 /nfs/dbraw/zinc/92/51/13/569925113.db2.gz BSCILXOMJORQPE-QGZVFWFLSA-N -1 1 472.588 3.690 40 0 JHABMM Cc1cc(C(=O)NCc2cccc(CN3CCOCC3)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224727694 569954936 /nfs/dbraw/zinc/95/49/36/569954936.db2.gz COFMCUYBWVERIN-UHFFFAOYSA-N -1 1 479.602 3.558 40 0 JHABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408594466 569965516 /nfs/dbraw/zinc/96/55/16/569965516.db2.gz SHAGJKOHVXUBPR-MRXNPFEDSA-N -1 1 459.568 3.662 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OC)c(OC)c3)cc2)c1 ZINC000408611560 569972794 /nfs/dbraw/zinc/97/27/94/569972794.db2.gz XMCCCANCJBULQI-UHFFFAOYSA-N -1 1 472.519 3.531 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1C(=O)NC(C)C ZINC000225155852 569978708 /nfs/dbraw/zinc/97/87/08/569978708.db2.gz WDUAFZFSZJMVHA-UHFFFAOYSA-N -1 1 463.581 3.592 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2C)cc1 ZINC000225255156 569986125 /nfs/dbraw/zinc/98/61/25/569986125.db2.gz FNUHXVMJGTYFHR-LJQANCHMSA-N -1 1 452.532 3.674 40 0 JHABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)ccc1Cl ZINC000408693140 570015868 /nfs/dbraw/zinc/01/58/68/570015868.db2.gz JEOSSLOMDGNEGS-UHFFFAOYSA-N -1 1 480.970 3.952 40 0 JHABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257237900 570119476 /nfs/dbraw/zinc/11/94/76/570119476.db2.gz HISVCVLFOXUVIQ-HXUWFJFHSA-N -1 1 454.914 3.503 40 0 JHABMM CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)N3)CC1 ZINC000022610310 521046107 /nfs/dbraw/zinc/04/61/07/521046107.db2.gz IUDSQYMBKKXNJW-LBPRGKRZSA-N -1 1 483.878 3.743 40 0 JHABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)ccc1Cl ZINC000020491559 521444592 /nfs/dbraw/zinc/44/45/92/521444592.db2.gz KFGDJYLDPVUMIQ-UHFFFAOYSA-N -1 1 480.970 3.952 40 0 JHABMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000044839069 522048655 /nfs/dbraw/zinc/04/86/55/522048655.db2.gz JRKBRNZRGJTCAE-UHFFFAOYSA-N -1 1 494.978 3.869 40 0 JHABMM CN(c1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1)S(C)(=O)=O ZINC000020461554 523646653 /nfs/dbraw/zinc/64/66/53/523646653.db2.gz IKDSVDBOBBLXRR-UHFFFAOYSA-N -1 1 493.994 3.789 40 0 JHABMM Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c(=O)n(-c2ccccc2)n1C ZINC000013682394 525861013 /nfs/dbraw/zinc/86/10/13/525861013.db2.gz FKIIBMIVFKQRHU-UHFFFAOYSA-N -1 1 476.558 3.846 40 0 JHABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000009185570 554958320 /nfs/dbraw/zinc/95/83/20/554958320.db2.gz SZXFTLFDOZCYIQ-FIXSFTCYSA-N -1 1 488.496 3.762 40 0 JHABMM COc1cc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1OC ZINC000013567396 555504898 /nfs/dbraw/zinc/50/48/98/555504898.db2.gz MEOCWTKBYRJQFB-CQSZACIVSA-N -1 1 471.510 3.701 40 0 JHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000020061039 555623918 /nfs/dbraw/zinc/62/39/18/555623918.db2.gz OFXWAACIFRBNNU-UHFFFAOYSA-N -1 1 493.994 3.546 40 0 JHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(CN2CCOCC2)c1 ZINC000020104327 555636562 /nfs/dbraw/zinc/63/65/62/555636562.db2.gz KRNSECMGDVMZHM-UHFFFAOYSA-N -1 1 451.548 3.572 40 0 JHABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314443 555680195 /nfs/dbraw/zinc/68/01/95/555680195.db2.gz KPNWJQBUDJHRGE-UHFFFAOYSA-N -1 1 470.503 3.544 40 0 JHABMM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Br)cc1 ZINC000014413005 555812283 /nfs/dbraw/zinc/81/22/83/555812283.db2.gz LYKVWZPFENQEPJ-UHFFFAOYSA-N -1 1 473.414 3.815 40 0 JHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C(=O)N1CCCCCC1 ZINC000026120244 556248826 /nfs/dbraw/zinc/24/88/26/556248826.db2.gz ISOSLTCBCHDRDV-UHFFFAOYSA-N -1 1 462.593 3.997 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3COc4ccccc4O3)ccc2C)c1 ZINC000028878762 556343317 /nfs/dbraw/zinc/34/33/17/556343317.db2.gz HOUWMYVDOVPBQT-HXUWFJFHSA-N -1 1 452.532 3.674 40 0 JHABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)ccc1Cl ZINC000030847723 556376144 /nfs/dbraw/zinc/37/61/44/556376144.db2.gz HBCKRNSFUJSIKF-UHFFFAOYSA-N -1 1 466.943 3.562 40 0 JHABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)c(C)c1 ZINC000038828182 569808033 /nfs/dbraw/zinc/80/80/33/569808033.db2.gz SBLGPPQPIVQBOC-NRFANRHFSA-N -1 1 485.588 3.910 40 0 JHABMM C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)N2 ZINC000038828458 569808491 /nfs/dbraw/zinc/80/84/91/569808491.db2.gz GGJMTMGXIXEZGJ-HUBLWGQQSA-N -1 1 479.459 3.500 40 0 JHABMM C=C(OCC)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040372783 569824276 /nfs/dbraw/zinc/82/42/76/569824276.db2.gz SUMUDWSZKDSMFN-ZRGWGRIASA-N -1 1 465.554 3.609 40 0 JHABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000040400013 569827236 /nfs/dbraw/zinc/82/72/36/569827236.db2.gz NKHHTVPNBBCZHZ-INIZCTEOSA-N -1 1 455.474 3.740 40 0 JHABMM Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000113936293 569862392 /nfs/dbraw/zinc/86/23/92/569862392.db2.gz GOLTYLLRSOUMRJ-UHFFFAOYSA-N -1 1 476.558 3.846 40 0 JHABMM COc1ccccc1OCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000224080980 569932667 /nfs/dbraw/zinc/93/26/67/569932667.db2.gz GAHKRTKPCHWZMC-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM Cc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224727509 569954971 /nfs/dbraw/zinc/95/49/71/569954971.db2.gz PSQBQIXEDOZKIL-UHFFFAOYSA-N -1 1 479.602 3.558 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(CN4CCOCC4)c3)cc2C)cc1 ZINC000224727762 569955046 /nfs/dbraw/zinc/95/50/46/569955046.db2.gz NVKLSWFYNMHSSN-UHFFFAOYSA-N -1 1 493.629 3.866 40 0 JHABMM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1)C(=O)N1CCOCC1 ZINC000408608646 569971844 /nfs/dbraw/zinc/97/18/44/569971844.db2.gz RSBKWYMUWIHBCX-CYBMUJFWSA-N -1 1 492.903 3.786 40 0 JHABMM O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2I)CC1 ZINC000408610599 569972473 /nfs/dbraw/zinc/97/24/73/569972473.db2.gz QLDOSQIPACNQLW-LJQANCHMSA-N -1 1 478.330 3.655 40 0 JHABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408619084 569977071 /nfs/dbraw/zinc/97/70/71/569977071.db2.gz LVSADKIVVGJNOT-UHFFFAOYSA-N -1 1 484.530 3.852 40 0 JHABMM COc1cc(OC)cc(-c2nnc(SC(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C(=O)[O-])o2)c1 ZINC000408634898 569985397 /nfs/dbraw/zinc/98/53/97/569985397.db2.gz XTCZOQACGQRCPS-LPGQDOADSA-N -1 1 480.502 3.853 40 0 JHABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OC)c(OC)c3OC)C(=O)[O-])n2)c1 ZINC000408635277 569985723 /nfs/dbraw/zinc/98/57/23/569985723.db2.gz ZTPABBXNPSNCIZ-YVLHZVERSA-N -1 1 473.507 3.733 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3COc4ccccc4O3)ccc2C)c1C ZINC000225250865 569985743 /nfs/dbraw/zinc/98/57/43/569985743.db2.gz NDOTVOHVNFIDTK-HXUWFJFHSA-N -1 1 466.559 3.982 40 0 JHABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1[N-]S(C)(=O)=O ZINC000225470735 569998228 /nfs/dbraw/zinc/99/82/28/569998228.db2.gz PGVKVCLWAXGYEK-WOJBJXKFSA-N -1 1 458.565 3.540 40 0 JHABMM COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)ccc1F ZINC000408695628 570017953 /nfs/dbraw/zinc/01/79/53/570017953.db2.gz WWNUATJFXLHOKI-UHFFFAOYSA-N -1 1 450.513 3.744 40 0 JHABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)cc1 ZINC000408722019 570027236 /nfs/dbraw/zinc/02/72/36/570027236.db2.gz ONNXLIHVZPBVTB-DVECYGJZSA-N -1 1 470.547 3.590 40 0 JHABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000408923727 570077996 /nfs/dbraw/zinc/07/79/96/570077996.db2.gz KXFIXEOYGLASSZ-UHFFFAOYSA-N -1 1 487.603 3.509 40 0 JHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408556237 570197291 /nfs/dbraw/zinc/19/72/91/570197291.db2.gz HEOGYTDQDVADCD-UHFFFAOYSA-N -1 1 473.938 3.891 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(=O)N1CCCC1 ZINC000408592454 570209513 /nfs/dbraw/zinc/20/95/13/570209513.db2.gz KNMKGLOPQYRXNL-UHFFFAOYSA-N -1 1 470.332 3.636 40 0 JHABMM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c([O-])c(Br)c1Br ZINC000016688136 520491772 /nfs/dbraw/zinc/49/17/72/520491772.db2.gz FAWZJKLFOJCXOZ-ZDUSSCGKSA-N -1 1 478.137 3.507 40 0 JHABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1Cl ZINC000020484380 525219010 /nfs/dbraw/zinc/21/90/10/525219010.db2.gz NCVYLOQGPBMTCH-UHFFFAOYSA-N -1 1 479.967 3.765 40 0 JHABMM Cc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Br)cc2)cc1 ZINC000013403809 526043194 /nfs/dbraw/zinc/04/31/94/526043194.db2.gz NIODRQCZEOICID-HDMKZQKVSA-N -1 1 457.246 3.861 40 0 JHABMM O=C(CSc1nc(NS(=O)(=O)c2ccccc2)cc(=O)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000012492615 527057719 /nfs/dbraw/zinc/05/77/19/527057719.db2.gz HPIQHQXWFIFXQN-UHFFFAOYSA-N -1 1 484.481 3.733 40 0 JHABMM COc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000009459274 555226887 /nfs/dbraw/zinc/22/68/87/555226887.db2.gz VBUCAXWMOKTTLE-GIWBLDEGSA-N -1 1 492.459 3.592 40 0 JHABMM COc1cc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1OC ZINC000013567277 555504413 /nfs/dbraw/zinc/50/44/13/555504413.db2.gz PEMVMLWNRZGWKX-HNNXBMFYSA-N -1 1 453.520 3.562 40 0 JHABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1 ZINC000010314226 555679587 /nfs/dbraw/zinc/67/95/87/555679587.db2.gz HOUPYGBUUYPEHU-UHFFFAOYSA-N -1 1 482.514 3.621 40 0 JHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000010359302 555696410 /nfs/dbraw/zinc/69/64/10/555696410.db2.gz HUYLIYLZUNGGMP-UHFFFAOYSA-N -1 1 473.576 3.728 40 0 JHABMM COc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1OC ZINC000010372296 555700343 /nfs/dbraw/zinc/70/03/43/555700343.db2.gz ZGZWZZLIKJEROR-UHFFFAOYSA-N -1 1 454.548 3.786 40 0 JHABMM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c(Cl)c1Cl ZINC000030865152 556383224 /nfs/dbraw/zinc/38/32/24/556383224.db2.gz WGLSQLXOHXECRA-UHFFFAOYSA-N -1 1 488.374 3.999 40 0 JHABMM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc(OC)c1O ZINC000101234216 569787789 /nfs/dbraw/zinc/78/77/89/569787789.db2.gz PEZJQVAGNLQVMR-FIXSFTCYSA-N -1 1 460.486 3.769 40 0 JHABMM Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000038828138 569808117 /nfs/dbraw/zinc/80/81/17/569808117.db2.gz BTWJCEQNDYIZBT-FQEVSTJZSA-N -1 1 471.561 3.602 40 0 JHABMM C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)N3)C1 ZINC000040388652 569824520 /nfs/dbraw/zinc/82/45/20/569824520.db2.gz YWSNOBZTGRVLBX-WZRBSPASSA-N -1 1 497.905 3.989 40 0 JHABMM O=C(NCc1ccccc1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399543 569826785 /nfs/dbraw/zinc/82/67/85/569826785.db2.gz WDAMFLGFEYJRKL-CYBMUJFWSA-N -1 1 458.305 3.563 40 0 JHABMM O=C(NCCc1ccccc1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399546 569826813 /nfs/dbraw/zinc/82/68/13/569826813.db2.gz LTYQNLDCAJILRT-AWEZNQCLSA-N -1 1 472.332 3.605 40 0 JHABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)cc1 ZINC000040399821 569827052 /nfs/dbraw/zinc/82/70/52/569827052.db2.gz RDHHOJDVKDVUNN-SFHVURJKSA-N -1 1 455.474 3.740 40 0 JHABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(OC(F)(F)F)c1)CC(=O)N2 ZINC000139112128 569867221 /nfs/dbraw/zinc/86/72/21/569867221.db2.gz LDTHKSVJCCNZKX-UKRRQHHQSA-N -1 1 479.459 3.502 40 0 JHABMM COc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000223941075 569927860 /nfs/dbraw/zinc/92/78/60/569927860.db2.gz UKVFCAXWYNRPKL-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224997298 569968180 /nfs/dbraw/zinc/96/81/80/569968180.db2.gz ATQOJMXVUZHLOV-UHFFFAOYSA-N -1 1 451.548 3.885 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc2c(c1)OCO2 ZINC000408602107 569969405 /nfs/dbraw/zinc/96/94/05/569969405.db2.gz HSUPSDCTSADZFG-UHFFFAOYSA-N -1 1 460.895 3.887 40 0 JHABMM COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408612114 569972972 /nfs/dbraw/zinc/97/29/72/569972972.db2.gz YMBSOJBUIKOXOQ-UHFFFAOYSA-N -1 1 460.939 3.845 40 0 JHABMM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1C ZINC000408618346 569976738 /nfs/dbraw/zinc/97/67/38/569976738.db2.gz FRIQSPCQUYTCGI-UHFFFAOYSA-N -1 1 450.866 3.844 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1N1CCCC1=O ZINC000225159992 569979160 /nfs/dbraw/zinc/97/91/60/569979160.db2.gz MDULEWQQDNUZOL-UHFFFAOYSA-N -1 1 461.565 3.580 40 0 JHABMM O=C(NC[C@@H]1COc2ccccc2O1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000225265600 569986889 /nfs/dbraw/zinc/98/68/89/569986889.db2.gz CSNOKKAITUZWEA-MRXNPFEDSA-N -1 1 458.923 3.711 40 0 JHABMM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408637145 569987268 /nfs/dbraw/zinc/98/72/68/569987268.db2.gz YNXFTSQYXYOYNH-UHFFFAOYSA-N -1 1 461.367 3.716 40 0 JHABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1[N-]S(C)(=O)=O ZINC000225470826 569998197 /nfs/dbraw/zinc/99/81/97/569998197.db2.gz WGROHQNJFJVMCS-MOPGFXCFSA-N -1 1 460.606 3.700 40 0 JHABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1 ZINC000225745270 570019393 /nfs/dbraw/zinc/01/93/93/570019393.db2.gz YVBZEVYUDCMKHN-UHFFFAOYSA-N -1 1 454.529 3.699 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NCc1ccncc1 ZINC000408556066 570197173 /nfs/dbraw/zinc/19/71/73/570197173.db2.gz CBYBMCQXNUSAMW-UHFFFAOYSA-N -1 1 466.346 3.884 40 0 JHABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000408563077 570202112 /nfs/dbraw/zinc/20/21/12/570202112.db2.gz TZCHLRPFBPCFNO-UHFFFAOYSA-N -1 1 473.336 3.966 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NCc1ccccn1 ZINC000408561430 570201066 /nfs/dbraw/zinc/20/10/66/570201066.db2.gz SIXDQNVFZMJYOK-UHFFFAOYSA-N -1 1 466.346 3.884 40 0 JHABMM COc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000009931602 195025062 /nfs/dbraw/zinc/02/50/62/195025062.db2.gz NKIOCJVQEXNHSO-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM C=C(OCCCC)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1 ZINC000022609902 518654128 /nfs/dbraw/zinc/65/41/28/518654128.db2.gz WOZXKGFREGDDQH-IBGZPJMESA-N -1 1 465.554 3.612 40 0 JHABMM COc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000016516684 524960103 /nfs/dbraw/zinc/96/01/03/524960103.db2.gz ZOQLKPLWRVGRPN-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM O=C1NC(=Cc2cc(Br)cc(I)c2[O-])C(=O)N1c1ccccc1 ZINC000016488344 527038677 /nfs/dbraw/zinc/03/86/77/527038677.db2.gz PQBAQCIFHNQIPX-NTUHNPAUSA-N -1 1 485.075 3.857 40 0 JHABMM COc1cc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[n-]c(=O)c32)cc1OC ZINC000013567391 555504880 /nfs/dbraw/zinc/50/48/80/555504880.db2.gz NEJANNTTWWYICT-HNNXBMFYSA-N -1 1 471.510 3.701 40 0 JHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)c1 ZINC000019856934 555518263 /nfs/dbraw/zinc/51/82/63/555518263.db2.gz COTOFDZKCNOPHD-UHFFFAOYSA-N -1 1 487.603 3.752 40 0 JHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585925 555524282 /nfs/dbraw/zinc/52/42/82/555524282.db2.gz PPXBSXOLGMRFEA-UHFFFAOYSA-N -1 1 469.382 3.905 40 0 JHABMM CCc1ccc2nc(Nc3nc(CSc4nnnn4-c4ccccc4)cc(=O)[n-]3)nc(C)c2c1 ZINC000010325263 555683981 /nfs/dbraw/zinc/68/39/81/555683981.db2.gz UGAOMGMKWDPHAX-UHFFFAOYSA-N -1 1 471.550 3.596 40 0 JHABMM CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000010330825 555687459 /nfs/dbraw/zinc/68/74/59/555687459.db2.gz CRFVXCKUBWABCU-UHFFFAOYSA-N -1 1 479.967 3.765 40 0 JHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1OCC ZINC000017319890 556258757 /nfs/dbraw/zinc/25/87/57/556258757.db2.gz WFAAOZDIBWLTBT-UHFFFAOYSA-N -1 1 482.624 3.850 40 0 JHABMM COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1 ZINC000408594547 569965642 /nfs/dbraw/zinc/96/56/42/569965642.db2.gz SRSBIGRLMNEWCV-UHFFFAOYSA-N -1 1 474.922 3.945 40 0 JHABMM COC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc(C(=O)OC)c1 ZINC000408606615 569971198 /nfs/dbraw/zinc/97/11/98/569971198.db2.gz LCQNHOSZMUVEIK-UHFFFAOYSA-N -1 1 482.514 3.621 40 0 JHABMM COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408616270 569975399 /nfs/dbraw/zinc/97/53/99/569975399.db2.gz FPVACKQWAGXGBM-UHFFFAOYSA-N -1 1 481.574 3.814 40 0 JHABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(I)o3)C(=O)[O-])n2)c1 ZINC000408631147 569982713 /nfs/dbraw/zinc/98/27/13/569982713.db2.gz CILUOURWGUAYOP-JYRVWZFOSA-N -1 1 499.286 3.904 40 0 JHABMM CCc1nnc(S/C(=C\c2cc(Br)c(O)c(I)c2)C(=O)[O-])o1 ZINC000408632503 569983768 /nfs/dbraw/zinc/98/37/68/569983768.db2.gz QOFZTCJNCBHBFO-UITAMQMPSA-N -1 1 497.108 3.923 40 0 JHABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1C ZINC000408693005 570015813 /nfs/dbraw/zinc/01/58/13/570015813.db2.gz AUWYZVAWURZFOG-UHFFFAOYSA-N -1 1 460.552 3.607 40 0 JHABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1 ZINC000225739443 570018822 /nfs/dbraw/zinc/01/88/22/570018822.db2.gz SAIVQDDLMCCMGW-UHFFFAOYSA-N -1 1 454.529 3.699 40 0 JHABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257230694 570117225 /nfs/dbraw/zinc/11/72/25/570117225.db2.gz GDLSNLCWWMZGDJ-HXUWFJFHSA-N -1 1 454.914 3.503 40 0 JHABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257230693 570117233 /nfs/dbraw/zinc/11/72/33/570117233.db2.gz GDLSNLCWWMZGDJ-FQEVSTJZSA-N -1 1 454.914 3.503 40 0 JHABMM CC(C(=O)N1CCC[C@H](Cc2n[n-]cc2S(C)(=O)=O)C1)(c1ccccc1)c1ccccc1 ZINC000257268837 570129235 /nfs/dbraw/zinc/12/92/35/570129235.db2.gz MNKOUBUQGGUJIL-LJQANCHMSA-N -1 1 451.592 3.601 40 0 JHABMM CC(C(=O)N1CCC[C@H](Cc2[n-]ncc2S(C)(=O)=O)C1)(c1ccccc1)c1ccccc1 ZINC000257268837 570129237 /nfs/dbraw/zinc/12/92/37/570129237.db2.gz MNKOUBUQGGUJIL-LJQANCHMSA-N -1 1 451.592 3.601 40 0 JHABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1OC ZINC000408585727 570208047 /nfs/dbraw/zinc/20/80/47/570208047.db2.gz IUHZWSCEZCJGMJ-UHFFFAOYSA-N -1 1 476.292 3.669 40 0 JHABMM CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)N3)CC1 ZINC000022610308 521049459 /nfs/dbraw/zinc/04/94/59/521049459.db2.gz IUDSQYMBKKXNJW-GFCCVEGCSA-N -1 1 483.878 3.743 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2)cc1 ZINC000016109184 525611821 /nfs/dbraw/zinc/61/18/21/525611821.db2.gz KCGJBIHDLNERSH-KRWDZBQOSA-N -1 1 472.588 3.690 40 0 JHABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000009424303 555188928 /nfs/dbraw/zinc/18/89/28/555188928.db2.gz MGSRZZZNMSSJNF-FIXSFTCYSA-N -1 1 488.496 3.762 40 0 JHABMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)c(OC)c1OC ZINC000013567355 555504673 /nfs/dbraw/zinc/50/46/73/555504673.db2.gz HVLXZZCFXOWRJI-INIZCTEOSA-N -1 1 467.547 3.871 40 0 JHABMM COc1cc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1OC ZINC000013567389 555505005 /nfs/dbraw/zinc/50/50/05/555505005.db2.gz SCTIOUSYWIKTCM-INIZCTEOSA-N -1 1 467.547 3.871 40 0 JHABMM COC(=O)c1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc(C(=O)OC)c1 ZINC000010314349 555679900 /nfs/dbraw/zinc/67/99/00/555679900.db2.gz BXFRYKNGSSOTMI-UHFFFAOYSA-N -1 1 482.514 3.621 40 0 JHABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000022111425 555878586 /nfs/dbraw/zinc/87/85/86/555878586.db2.gz UPOAHTSXMVHVAZ-UHFFFAOYSA-N -1 1 466.571 3.509 40 0 JHABMM CCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000022111495 555878652 /nfs/dbraw/zinc/87/86/52/555878652.db2.gz SHNBWEVCYOEHBB-UHFFFAOYSA-N -1 1 450.362 3.992 40 0 JHABMM O=C([O-])c1ccc(CN2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000015672251 555929302 /nfs/dbraw/zinc/92/93/02/555929302.db2.gz MHFLIOAZJLSYJK-CLJLJLNGSA-N -1 1 474.557 3.719 40 0 biogenic,in-vitro JHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)ccc2C)cc1 ZINC000027972322 556310678 /nfs/dbraw/zinc/31/06/78/556310678.db2.gz XXCYSWAHCPDZRY-UHFFFAOYSA-N -1 1 493.585 3.829 40 0 JHABMM CCn1nc([O-])c(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(Br)cc1 ZINC000100143319 569753764 /nfs/dbraw/zinc/75/37/64/569753764.db2.gz HAUXFRNZIPGRGF-PLRJNAJWSA-N -1 1 480.366 3.656 40 0 JHABMM CCn1[n-]c(=O)c(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(Br)cc1 ZINC000100143319 569753765 /nfs/dbraw/zinc/75/37/65/569753765.db2.gz HAUXFRNZIPGRGF-PLRJNAJWSA-N -1 1 480.366 3.656 40 0 JHABMM COc1cc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc(OC)c1OC ZINC000101193702 569786817 /nfs/dbraw/zinc/78/68/17/569786817.db2.gz JWRCGTJYUIJFDO-GPXNEJASSA-N -1 1 478.476 3.903 40 0 JHABMM Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)c1 ZINC000038828159 569808110 /nfs/dbraw/zinc/80/81/10/569808110.db2.gz WEQYPGBPWWZETP-JOCHJYFZSA-N -1 1 485.588 3.910 40 0 JHABMM C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCC(=O)[O-] ZINC000107737342 569857251 /nfs/dbraw/zinc/85/72/51/569857251.db2.gz QLVDKHFTRWFXGC-DEDYPNTBSA-N -1 1 494.569 3.671 40 0 JHABMM CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1[O-] ZINC000109917463 569860643 /nfs/dbraw/zinc/86/06/43/569860643.db2.gz BIODQPLSZNZGCV-WDZFZDKYSA-N -1 1 499.701 3.679 40 0 JHABMM O=C([O-])c1ccc2c([C@@H](C(=O)[O-])[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cn(Cc3ccccc3)c2c1 ZINC000217546680 569880208 /nfs/dbraw/zinc/88/02/08/569880208.db2.gz IIVBCPOIAKZRNP-NUANOYTQSA-N -1 1 497.551 3.795 40 0 JHABMM Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCC[N-]C(=O)C(F)(F)F)NC(=O)OC(C)(C)C)ccc12 ZINC000220631267 569883604 /nfs/dbraw/zinc/88/36/04/569883604.db2.gz UFFVNATYYXBMGO-MRXNPFEDSA-N -1 1 499.486 3.782 40 0 JHABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C ZINC000223846507 569925004 /nfs/dbraw/zinc/92/50/04/569925004.db2.gz DRAFPFXVMDSLLQ-SFHVURJKSA-N -1 1 486.615 3.999 40 0 JHABMM Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224561941 569948497 /nfs/dbraw/zinc/94/84/97/569948497.db2.gz NFVZQYCMIZZLKF-UHFFFAOYSA-N -1 1 479.602 3.558 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NCCCn1ccnc1 ZINC000408596332 569966716 /nfs/dbraw/zinc/96/67/16/569966716.db2.gz UGROKFSDZUNUEH-UHFFFAOYSA-N -1 1 483.377 3.576 40 0 JHABMM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c(OC)c1 ZINC000408612599 569973228 /nfs/dbraw/zinc/97/32/28/569973228.db2.gz SWLUXZTVFBNGBW-MRXNPFEDSA-N -1 1 462.568 3.721 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1F ZINC000408694962 570017432 /nfs/dbraw/zinc/01/74/32/570017432.db2.gz MXTZUHZZLUJSAH-UHFFFAOYSA-N -1 1 450.513 3.744 40 0 JHABMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(I)cc3)cc2sc1=O ZINC000225722435 570017637 /nfs/dbraw/zinc/01/76/37/570017637.db2.gz OOGMWOCDEIVJLD-UHFFFAOYSA-N -1 1 474.345 3.878 40 0 JHABMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)N4CCCCC4)cc3)cc2sc1=O ZINC000225734610 570018604 /nfs/dbraw/zinc/01/86/04/570018604.db2.gz CSWMUZNWMUEGQS-UHFFFAOYSA-N -1 1 459.593 3.900 40 0 JHABMM CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(CC(=O)N(CC(=O)[O-])c4ccccc4)C[C@@H]3C[C@H]21 ZINC000257231104 570117367 /nfs/dbraw/zinc/11/73/67/570117367.db2.gz GFGKFXRFOJEHCH-DUWWHKKTSA-N -1 1 464.562 3.744 40 0 JHABMM CCN1C(=O)S/C(=C\c2cc(Br)cc(I)c2[O-])C1=O ZINC000409101934 570128723 /nfs/dbraw/zinc/12/87/23/570128723.db2.gz XDQWHDULKDMPMS-WTKPLQERSA-N -1 1 454.083 3.816 40 0 JHABMM COCCCN1C(=O)S/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O ZINC000409245539 570183986 /nfs/dbraw/zinc/18/39/86/570183986.db2.gz VJTCVKYOHOJAFM-IZZDOVSWSA-N -1 1 453.685 3.723 40 0 JHABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000408549514 570194584 /nfs/dbraw/zinc/19/45/84/570194584.db2.gz ZFPFZLXFYSICIB-UHFFFAOYSA-N -1 1 496.541 3.930 40 0 JHABMM CCOC(=O)C1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)CC1 ZINC000022523430 520569754 /nfs/dbraw/zinc/56/97/54/520569754.db2.gz IKQMVQNIQRHMML-UHFFFAOYSA-N -1 1 464.971 3.865 40 0 JHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc(OC)c1OC ZINC000013567291 555504443 /nfs/dbraw/zinc/50/44/43/555504443.db2.gz QRJWUNDCLBWJDJ-HNNXBMFYSA-N -1 1 453.520 3.562 40 0 JHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[n-]c(=O)c32)cc(OC)c1OC ZINC000013567383 555504902 /nfs/dbraw/zinc/50/49/02/555504902.db2.gz DBLJSUQWOTXDSW-HNNXBMFYSA-N -1 1 471.510 3.701 40 0 JHABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1)S(C)(=O)=O ZINC000013681591 555574607 /nfs/dbraw/zinc/57/46/07/555574607.db2.gz PGDZNEXGAHZQGA-UHFFFAOYSA-N -1 1 487.603 3.834 40 0 JHABMM O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000013681649 555575070 /nfs/dbraw/zinc/57/50/70/555575070.db2.gz YNRACSFACCJXEW-UHFFFAOYSA-N -1 1 499.614 3.914 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3C)cc2)c1 ZINC000010315087 555681671 /nfs/dbraw/zinc/68/16/71/555681671.db2.gz WMLWGWDSSBBWME-UHFFFAOYSA-N -1 1 473.576 3.728 40 0 JHABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010333898 555689211 /nfs/dbraw/zinc/68/92/11/555689211.db2.gz ZNPCWUUVCGEISZ-UHFFFAOYSA-N -1 1 482.514 3.621 40 0 JHABMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1 ZINC000015307137 555895497 /nfs/dbraw/zinc/89/54/97/555895497.db2.gz FAQDAFCRFBOFCY-UHFFFAOYSA-N -1 1 458.458 3.520 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2)cc1 ZINC000015505092 555911794 /nfs/dbraw/zinc/91/17/94/555911794.db2.gz VCLZYRHQYSTMRR-UHFFFAOYSA-N -1 1 451.548 3.885 40 0 JHABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1C ZINC000026116466 556246379 /nfs/dbraw/zinc/24/63/79/556246379.db2.gz VHLQAYAOIYJDFP-UHFFFAOYSA-N -1 1 462.593 3.930 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCC(=O)NC[C@@H]4CCCO4)sc3c2)cc1 ZINC000059489658 569605699 /nfs/dbraw/zinc/60/56/99/569605699.db2.gz DHIHNEVRJNPQRA-INIZCTEOSA-N -1 1 477.633 3.793 40 0 JHABMM CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000038828144 569808084 /nfs/dbraw/zinc/80/80/84/569808084.db2.gz VVUQBDJNYXGPAW-NRFANRHFSA-N -1 1 485.588 3.856 40 0 JHABMM C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)N2 ZINC000038828456 569808342 /nfs/dbraw/zinc/80/83/42/569808342.db2.gz GGJMTMGXIXEZGJ-ZOWXZIJZSA-N -1 1 479.459 3.500 40 0 JHABMM C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)N2 ZINC000038828460 569808378 /nfs/dbraw/zinc/80/83/78/569808378.db2.gz GGJMTMGXIXEZGJ-JMSVASOKSA-N -1 1 479.459 3.500 40 0 JHABMM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc(OC)c1O ZINC000102765547 569822842 /nfs/dbraw/zinc/82/28/42/569822842.db2.gz PEZJQVAGNLQVMR-AOHZBQACSA-N -1 1 460.486 3.769 40 0 JHABMM C=C(OCC)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040372792 569824208 /nfs/dbraw/zinc/82/42/08/569824208.db2.gz SUMUDWSZKDSMFN-DOXZYTNZSA-N -1 1 465.554 3.609 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000224993785 569967864 /nfs/dbraw/zinc/96/78/64/569967864.db2.gz XLRMXFZXHFILRO-UHFFFAOYSA-N -1 1 451.548 3.885 40 0 JHABMM COc1ccc(C(=O)N2CCN([C@@H](CCC(=O)[O-])c3ccccc3)CC2)cc1Br ZINC000408611575 569972840 /nfs/dbraw/zinc/97/28/40/569972840.db2.gz UAEZUFHOYQDBIU-IBGZPJMESA-N -1 1 461.356 3.822 40 0 JHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000408693115 570015749 /nfs/dbraw/zinc/01/57/49/570015749.db2.gz HZHDXBQDBJCWJC-UHFFFAOYSA-N -1 1 460.552 3.689 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(C)C ZINC000408695212 570017703 /nfs/dbraw/zinc/01/77/03/570017703.db2.gz NUQKKLKGGKPSFK-UHFFFAOYSA-N -1 1 452.598 3.794 40 0 JHABMM CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000408700258 570020954 /nfs/dbraw/zinc/02/09/54/570020954.db2.gz BYWGBZCWBROGBR-UHFFFAOYSA-N -1 1 473.576 3.810 40 0 JHABMM COc1ccc(C2(C(=O)N3CCC[C@H](Cc4n[n-]cc4S(C)(=O)=O)C3)CCCCC2)cc1 ZINC000257205651 570109570 /nfs/dbraw/zinc/10/95/70/570109570.db2.gz AZZXQRFKKIBUET-GOSISDBHSA-N -1 1 459.612 3.505 40 0 JHABMM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1)S(C)(=O)=O ZINC000409173155 570155770 /nfs/dbraw/zinc/15/57/70/570155770.db2.gz LDOHRXYQEONJMF-UHFFFAOYSA-N -1 1 493.994 3.789 40 0 JHABMM Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408548745 570194292 /nfs/dbraw/zinc/19/42/92/570194292.db2.gz UJPCNAATFXXHCT-UHFFFAOYSA-N -1 1 453.539 3.897 40 0 JHABMM COc1cc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1OC ZINC000013567281 522831462 /nfs/dbraw/zinc/83/14/62/522831462.db2.gz VHKKKCMYTLHCLY-INIZCTEOSA-N -1 1 467.547 3.871 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)NC(C)(C)C)o3)cc2)cc1 ZINC000012485302 525079469 /nfs/dbraw/zinc/07/94/69/525079469.db2.gz OFIMEZOSGNOTDY-UHFFFAOYSA-N -1 1 476.580 3.553 40 0 JHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020489666 527255405 /nfs/dbraw/zinc/25/54/05/527255405.db2.gz AKRNNETUIOHCBN-UHFFFAOYSA-N -1 1 499.614 3.665 40 0 JHABMM Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013683546 555577240 /nfs/dbraw/zinc/57/72/40/555577240.db2.gz ZAIUIHMSQCMLSE-UHFFFAOYSA-N -1 1 453.539 3.897 40 0 JHABMM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2)cc1 ZINC000020021000 555598178 /nfs/dbraw/zinc/59/81/78/555598178.db2.gz FLNGVFAJOZVTQD-QGZVFWFLSA-N -1 1 470.547 3.761 40 0 JHABMM COCCNC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020039052 555612820 /nfs/dbraw/zinc/61/28/20/555612820.db2.gz WYEZLCFCRNNZTE-UHFFFAOYSA-N -1 1 487.965 3.769 40 0 JHABMM CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000020050605 555619734 /nfs/dbraw/zinc/61/97/34/555619734.db2.gz RJEDXTALGCQQTO-UHFFFAOYSA-N -1 1 479.967 3.765 40 0 JHABMM COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314327 555679915 /nfs/dbraw/zinc/67/99/15/555679915.db2.gz IREJZPAEODSFFZ-UHFFFAOYSA-N -1 1 481.574 3.814 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)c2C)cc1 ZINC000010314696 555680636 /nfs/dbraw/zinc/68/06/36/555680636.db2.gz HZOOBXNVVBXONO-UHFFFAOYSA-N -1 1 487.603 3.752 40 0 JHABMM COc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1OC ZINC000010315161 555682021 /nfs/dbraw/zinc/68/20/21/555682021.db2.gz UOJSRVFPQOHCDT-UHFFFAOYSA-N -1 1 454.548 3.786 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000014223852 555734719 /nfs/dbraw/zinc/73/47/19/555734719.db2.gz NNWCWDACDQFMAZ-UHFFFAOYSA-N -1 1 452.941 3.950 40 0 JHABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)ccc1Cl ZINC000026115286 556245685 /nfs/dbraw/zinc/24/56/85/556245685.db2.gz SCCPOEHPXMQZAF-UHFFFAOYSA-N -1 1 468.984 3.885 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3COc4ccccc4O3)ccc2C)c1 ZINC000028878768 556343292 /nfs/dbraw/zinc/34/32/92/556343292.db2.gz HOUWMYVDOVPBQT-FQEVSTJZSA-N -1 1 452.532 3.674 40 0 JHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1Cl ZINC000038753315 569806476 /nfs/dbraw/zinc/80/64/76/569806476.db2.gz DNJOZWVRMIXRNK-UHFFFAOYSA-N -1 1 480.970 3.952 40 0 JHABMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)cc1 ZINC000038828104 569808005 /nfs/dbraw/zinc/80/80/05/569808005.db2.gz DBLJYJSYEKEUMO-QFIPXVFZSA-N -1 1 485.588 3.856 40 0 JHABMM C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1)CC(=O)N2 ZINC000038828507 569808430 /nfs/dbraw/zinc/80/84/30/569808430.db2.gz QNZSDMHJPLMWHR-JMSVASOKSA-N -1 1 479.459 3.500 40 0 JHABMM O=C(NC1CCCCC1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399587 569826809 /nfs/dbraw/zinc/82/68/09/569826809.db2.gz LYFHKWGPIJQAAX-LBPRGKRZSA-N -1 1 450.326 3.695 40 0 JHABMM CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400419 569827511 /nfs/dbraw/zinc/82/75/11/569827511.db2.gz NDHDPEKQNLZFCT-LJQANCHMSA-N -1 1 489.532 3.843 40 0 JHABMM C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)N3)C1 ZINC000139072633 569866945 /nfs/dbraw/zinc/86/69/45/569866945.db2.gz YWSNOBZTGRVLBX-NQBHXWOUSA-N -1 1 497.905 3.989 40 0 JHABMM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(Oc4ccccc4)cc2)CC(=O)N3)C1 ZINC000139078533 569866977 /nfs/dbraw/zinc/86/69/77/569866977.db2.gz HGCBJAFVZPMZAD-OXJNMPFZSA-N -1 1 473.533 3.863 40 0 JHABMM COc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)n2)cc1OC ZINC000223635871 569918567 /nfs/dbraw/zinc/91/85/67/569918567.db2.gz VZAWYONHRIRUQP-UHFFFAOYSA-N -1 1 458.323 3.680 40 0 JHABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)ccc2c1 ZINC000223727589 569921358 /nfs/dbraw/zinc/92/13/58/569921358.db2.gz BDNBPTJMSPLGJK-UHFFFAOYSA-N -1 1 490.603 3.832 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(CN4CCOCC4)c3)ccc2C)c1 ZINC000224723057 569954768 /nfs/dbraw/zinc/95/47/68/569954768.db2.gz VKZMKKMWRCHTCF-UHFFFAOYSA-N -1 1 493.629 3.866 40 0 JHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408595146 569965969 /nfs/dbraw/zinc/96/59/69/569965969.db2.gz UBEJNWMTXGSKIT-KRWDZBQOSA-N -1 1 474.579 3.880 40 0 JHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000224997185 569968098 /nfs/dbraw/zinc/96/80/98/569968098.db2.gz CMRJDTTWIYUTMO-UHFFFAOYSA-N -1 1 451.548 3.885 40 0 JHABMM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2)cc1 ZINC000408606183 569971121 /nfs/dbraw/zinc/97/11/21/569971121.db2.gz OAVLTLAVAJCEDP-UHFFFAOYSA-N -1 1 456.520 3.912 40 0 JHABMM COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1F ZINC000408695170 570017673 /nfs/dbraw/zinc/01/76/73/570017673.db2.gz LUUITYGGWLTTSP-UHFFFAOYSA-N -1 1 454.476 3.575 40 0 JHABMM COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)ccc1F ZINC000408695642 570017962 /nfs/dbraw/zinc/01/79/62/570017962.db2.gz SLGWYMNDZBROLB-UHFFFAOYSA-N -1 1 450.513 3.744 40 0 JHABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@@H](c2ccc3c(c2)OCO3)C1C(=O)OCC ZINC000408879038 570062214 /nfs/dbraw/zinc/06/22/14/570062214.db2.gz AHFBJGWOAXTKAH-FQEVSTJZSA-N -1 1 454.504 3.884 40 0 JHABMM CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(Cl)c2)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000257332582 570148339 /nfs/dbraw/zinc/14/83/39/570148339.db2.gz XXXUVDDHABPEIW-ZLSIYFNSSA-N -1 1 489.012 3.728 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(N)=O)n3-c3ccccc3)cc2)cc1 ZINC000006088917 525595346 /nfs/dbraw/zinc/59/53/46/525595346.db2.gz MYRARCPGITZGGT-UHFFFAOYSA-N -1 1 479.587 3.621 40 0 JHABMM O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)Nc1nccs1 ZINC000013496114 555411253 /nfs/dbraw/zinc/41/12/53/555411253.db2.gz XTGWWTYTWDXULB-UHFFFAOYSA-N -1 1 473.561 3.725 40 0 JHABMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[n-]c(=O)c32)c(OC)c1OC ZINC000013567357 555504782 /nfs/dbraw/zinc/50/47/82/555504782.db2.gz PNGZVCYLGGTIOQ-HNNXBMFYSA-N -1 1 471.510 3.701 40 0 JHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc(OC)c1OC ZINC000013567386 555504908 /nfs/dbraw/zinc/50/49/08/555504908.db2.gz MKHZZSWNGZPHHW-OAHLLOKOSA-N -1 1 471.510 3.701 40 0 JHABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)S(C)(=O)=O ZINC000019856990 555518610 /nfs/dbraw/zinc/51/86/10/555518610.db2.gz SBYMJGPDAJKSNT-UHFFFAOYSA-N -1 1 493.994 3.789 40 0 JHABMM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2)cc1 ZINC000020021003 555598134 /nfs/dbraw/zinc/59/81/34/555598134.db2.gz FLNGVFAJOZVTQD-KRWDZBQOSA-N -1 1 470.547 3.761 40 0 JHABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000013748699 555607850 /nfs/dbraw/zinc/60/78/50/555607850.db2.gz MGSRZZZNMSSJNF-GPXNEJASSA-N -1 1 488.496 3.762 40 0 JHABMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000020050142 555619318 /nfs/dbraw/zinc/61/93/18/555619318.db2.gz ZMHUQVXJKATDRE-UHFFFAOYSA-N -1 1 488.587 3.833 40 0 JHABMM COC(=O)c1cc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc(C(=O)OC)c1 ZINC000010334040 555689483 /nfs/dbraw/zinc/68/94/83/555689483.db2.gz DQHXGNGBYJOXQT-UHFFFAOYSA-N -1 1 496.541 3.930 40 0 JHABMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1 ZINC000026116202 556246271 /nfs/dbraw/zinc/24/62/71/556246271.db2.gz XZRQUMVOTZDOFW-UHFFFAOYSA-N -1 1 462.593 3.930 40 0 JHABMM COc1ccccc1OCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000018075556 556283829 /nfs/dbraw/zinc/28/38/29/556283829.db2.gz NIRBABMYRRTMEL-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM Cc1cc(C)nc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3c(F)cccc3Cl)cc2)n1 ZINC000030859452 556381355 /nfs/dbraw/zinc/38/13/55/556381355.db2.gz CIGVYDMTFUFNAR-UHFFFAOYSA-N -1 1 484.962 3.629 40 0 JHABMM COc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000032403264 556434927 /nfs/dbraw/zinc/43/49/27/556434927.db2.gz APFZGKVBJFNJCL-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)N2 ZINC000059816887 569607802 /nfs/dbraw/zinc/60/78/02/569607802.db2.gz GGJMTMGXIXEZGJ-TYNCELHUSA-N -1 1 479.459 3.500 40 0 JHABMM CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399191 569826058 /nfs/dbraw/zinc/82/60/58/569826058.db2.gz GHKHJUSOMFIDTN-GOSISDBHSA-N -1 1 475.505 3.535 40 0 JHABMM Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000108990254 569860217 /nfs/dbraw/zinc/86/02/17/569860217.db2.gz LPGNESFJBBWSHO-RQZCQDPDSA-N -1 1 467.865 3.701 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)c1 ZINC000216356224 569878466 /nfs/dbraw/zinc/87/84/66/569878466.db2.gz IXRDRNZVTZYSBO-UHFFFAOYSA-N -1 1 465.575 3.880 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2C)cc1 ZINC000223853183 569925127 /nfs/dbraw/zinc/92/51/27/569925127.db2.gz INIQALBHGLBYAY-GOSISDBHSA-N -1 1 486.615 3.999 40 0 JHABMM COc1ccccc1OCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224402583 569943459 /nfs/dbraw/zinc/94/34/59/569943459.db2.gz PSZLIRJMKQOXAZ-UHFFFAOYSA-N -1 1 460.939 3.958 40 0 JHABMM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1 ZINC000408600622 569968619 /nfs/dbraw/zinc/96/86/19/569968619.db2.gz BHEQJSBTCWOGKR-UHFFFAOYSA-N -1 1 460.939 3.845 40 0 JHABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc(C(=O)OC)c1 ZINC000408630286 569982060 /nfs/dbraw/zinc/98/20/60/569982060.db2.gz RBMUHELKALHPRM-UHFFFAOYSA-N -1 1 496.541 3.930 40 0 JHABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(N3CCOCC3)o2)C(=O)[O-])n1 ZINC000408630534 569982265 /nfs/dbraw/zinc/98/22/65/569982265.db2.gz BEEJXZQXLQMCLD-WJDWOHSUSA-N -1 1 462.915 3.781 40 0 JHABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(OC)cc(OC)cc3OC)C(=O)[O-])n2)c1 ZINC000408633207 569984357 /nfs/dbraw/zinc/98/43/57/569984357.db2.gz MHBDSQYZJXZZDH-ODLFYWEKSA-N -1 1 473.507 3.733 40 0 JHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3COc4ccccc4O3)ccc2C)c1 ZINC000225251174 569985878 /nfs/dbraw/zinc/98/58/78/569985878.db2.gz PXWGZBKOTWMMQL-FQEVSTJZSA-N -1 1 466.559 3.982 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H]3COc4ccccc4O3)c2C)cc1 ZINC000225254723 569986155 /nfs/dbraw/zinc/98/61/55/569986155.db2.gz UKPYBQSRHGAABP-GOSISDBHSA-N -1 1 452.532 3.674 40 0 JHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1Cl ZINC000408925229 570078301 /nfs/dbraw/zinc/07/83/01/570078301.db2.gz LENWMKOQOSZPIX-UHFFFAOYSA-N -1 1 493.994 3.546 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1OC ZINC000409023944 570103791 /nfs/dbraw/zinc/10/37/91/570103791.db2.gz FRIYRWVGZLIUHZ-UHFFFAOYSA-N -1 1 462.549 3.614 40 0 JHABMM CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[n-]c(=O)c32)cc1 ZINC000253569870 570103828 /nfs/dbraw/zinc/10/38/28/570103828.db2.gz MWTSLASUCLHMEY-MOPGFXCFSA-N -1 1 495.580 3.973 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NCc1ccncc1 ZINC000408555669 570196953 /nfs/dbraw/zinc/19/69/53/570196953.db2.gz HBPRSTYHWMDUJT-UHFFFAOYSA-N -1 1 466.346 3.884 40 0 JHABMM COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Br)cc2)cc1 ZINC000001168218 194058431 /nfs/dbraw/zinc/05/84/31/194058431.db2.gz MEYUZTHDFLEREK-DAYGRLMNSA-N -1 1 473.245 3.562 40 0 JHABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000059132900 195389727 /nfs/dbraw/zinc/38/97/27/195389727.db2.gz UAEWQVCUOPLQCP-UHFFFAOYSA-N -1 1 459.549 3.555 40 0 JHABMM Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1C ZINC000012473926 524139468 /nfs/dbraw/zinc/13/94/68/524139468.db2.gz VLNDJVVOOXQVRE-UHFFFAOYSA-N -1 1 493.614 3.929 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)NCc4ccco4)n3C)cc2)cc1 ZINC000006088898 525594823 /nfs/dbraw/zinc/59/48/23/525594823.db2.gz VCNSROUCIALPIP-UHFFFAOYSA-N -1 1 497.602 3.593 40 0 JHABMM O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020486118 527409687 /nfs/dbraw/zinc/40/96/87/527409687.db2.gz ZBBCYKXJKCELAU-UHFFFAOYSA-N -1 1 499.976 3.866 40 0 JHABMM Cc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Br)cc2)cc1 ZINC000013403801 555396316 /nfs/dbraw/zinc/39/63/16/555396316.db2.gz NIODRQCZEOICID-DAYGRLMNSA-N -1 1 457.246 3.861 40 0 JHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc(OC)c1OC ZINC000013567382 555504912 /nfs/dbraw/zinc/50/49/12/555504912.db2.gz IJOTXHPISIHHOL-MRXNPFEDSA-N -1 1 467.547 3.871 40 0 JHABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010328310 555686590 /nfs/dbraw/zinc/68/65/90/555686590.db2.gz NOZJTGQCFSKXLK-UHFFFAOYSA-N -1 1 482.514 3.621 40 0 JHABMM COc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1OC ZINC000010336440 555691344 /nfs/dbraw/zinc/69/13/44/555691344.db2.gz ZEDHRELSBPOIDP-UHFFFAOYSA-N -1 1 454.548 3.786 40 0 JHABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010361399 555696756 /nfs/dbraw/zinc/69/67/56/555696756.db2.gz RGXGUIQDDADSIM-UHFFFAOYSA-N -1 1 487.603 3.770 40 0 JHABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000014224048 555734756 /nfs/dbraw/zinc/73/47/56/555734756.db2.gz JHTMNDGEXWYXEN-UHFFFAOYSA-N -1 1 459.549 3.555 40 0 JHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2C)cc1 ZINC000010969004 555750143 /nfs/dbraw/zinc/75/01/43/555750143.db2.gz VONFATLDMVMNSI-SFHVURJKSA-N -1 1 486.615 3.999 40 0 JHABMM CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(Br)o2)[n-]c1=O ZINC000012008873 555884226 /nfs/dbraw/zinc/88/42/26/555884226.db2.gz VEIFEWRPYCVRRU-UHFFFAOYSA-N -1 1 458.272 3.694 40 0 JHABMM CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)c(Cl)c1[O-] ZINC000033739589 569632947 /nfs/dbraw/zinc/63/29/47/569632947.db2.gz VLHZHVOJBHGCFJ-XYOKQWHBSA-N -1 1 489.775 3.866 40 0 JHABMM C=C(OCC)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040372789 569824261 /nfs/dbraw/zinc/82/42/61/569824261.db2.gz SUMUDWSZKDSMFN-YZVOILCLSA-N -1 1 465.554 3.609 40 0 JHABMM 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Cc1cc(O[C@@H]2C[C@@H](NC(=O)CCCC(=O)[O-])[C@H](N3CCc4ccccc4C3)[C@H]2O)cc(C(C)C)c1 ZINC000257277793 570132019 /nfs/dbraw/zinc/13/20/19/570132019.db2.gz NZJNLPGQXSLXJZ-RZCBTRPQSA-N -1 1 494.632 3.797 40 0 JHABMM CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(CCN(C(=O)CNC(=O)c4cncc([O-])c4)CC3)C[C@@H]21 ZINC000257317721 570143843 /nfs/dbraw/zinc/14/38/43/570143843.db2.gz VKWSCCPXLDAFLQ-NZQKXSOJSA-N -1 1 499.995 3.728 40 0 JHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)c1 ZINC000409174003 570156091 /nfs/dbraw/zinc/15/60/91/570156091.db2.gz PJTBTJHRDUJVOU-UHFFFAOYSA-N -1 1 487.603 3.752 40 0 JHABMM CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)CC1 ZINC000408546586 570193352 /nfs/dbraw/zinc/19/33/52/570193352.db2.gz UPNNFRSOHSKDGZ-UHFFFAOYSA-N -1 1 458.580 3.828 40 0 JHABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000408546253 570193424 /nfs/dbraw/zinc/19/34/24/570193424.db2.gz DCIIANKTUXZSFS-UHFFFAOYSA-N -1 1 479.967 3.765 40 0 JHABMM C=C(OCCCC)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1 ZINC000022610110 518654983 /nfs/dbraw/zinc/65/49/83/518654983.db2.gz IPJZYEOJCNDKQS-FQEVSTJZSA-N -1 1 479.581 3.858 40 0 JHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc(OC)c1O ZINC000013567311 555504698 /nfs/dbraw/zinc/50/46/98/555504698.db2.gz YGFCEVWPBIZNSL-HNNXBMFYSA-N -1 1 453.520 3.568 40 0 JHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc(OC)c1O ZINC000013567318 555504719 /nfs/dbraw/zinc/50/47/19/555504719.db2.gz ZMBNMUVROKCBOW-CYBMUJFWSA-N -1 1 473.938 3.913 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 ZINC000013678290 555569464 /nfs/dbraw/zinc/56/94/64/555569464.db2.gz LCMRMLCHJROBAL-UHFFFAOYSA-N -1 1 499.614 3.833 40 0 JHABMM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1OC ZINC000020023109 555600985 /nfs/dbraw/zinc/60/09/85/555600985.db2.gz DOVXIKBBMBDPSL-UHFFFAOYSA-N -1 1 490.965 3.853 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000014154745 555712233 /nfs/dbraw/zinc/71/22/33/555712233.db2.gz DQHNUGWAEOMZGG-GOSISDBHSA-N -1 1 487.603 3.589 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc2C)c1 ZINC000014155224 555713115 /nfs/dbraw/zinc/71/31/15/555713115.db2.gz PRRVCKIAUFAQPV-UHFFFAOYSA-N -1 1 487.603 3.752 40 0 JHABMM Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O)[C@@H]1C[C@H](C)CCN31 ZINC000017044475 556210461 /nfs/dbraw/zinc/21/04/61/556210461.db2.gz IKPNHQIOFCEZNE-CLAHJSNCSA-N -1 1 468.557 3.969 40 0 JHABMM COc1ccccc1OCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000018075558 556283868 /nfs/dbraw/zinc/28/38/68/556283868.db2.gz SXOIOHZNCBQNHR-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM COc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000029878794 556359661 /nfs/dbraw/zinc/35/96/61/556359661.db2.gz JLQVRRNGKRIGHF-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000038828143 569808027 /nfs/dbraw/zinc/80/80/27/569808027.db2.gz VVUQBDJNYXGPAW-OAQYLSRUSA-N -1 1 485.588 3.856 40 0 JHABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1)CC(=O)N2 ZINC000040390518 569825058 /nfs/dbraw/zinc/82/50/58/569825058.db2.gz LDTHKSVJCCNZKX-ZFWWWQNUSA-N -1 1 479.459 3.502 40 0 JHABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc(Cl)ccc1Cl ZINC000216447086 569878885 /nfs/dbraw/zinc/87/88/85/569878885.db2.gz NSKYBWJDPPKGLE-UHFFFAOYSA-N -1 1 458.348 3.990 40 0 JHABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)N(C(=O)c3ccc(OC)cc3)CC4)cc2oc1=O ZINC000223032253 569897395 /nfs/dbraw/zinc/89/73/95/569897395.db2.gz DYPAPXHGESWKPX-UHFFFAOYSA-N -1 1 493.541 3.627 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2C)cc1 ZINC000223852448 569925101 /nfs/dbraw/zinc/92/51/01/569925101.db2.gz ONCGYTHWOIMULH-SFHVURJKSA-N -1 1 486.615 3.999 40 0 JHABMM Cc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000223852986 569925156 /nfs/dbraw/zinc/92/51/56/569925156.db2.gz OAXOMNXGRQDFDK-KRWDZBQOSA-N -1 1 472.588 3.690 40 0 JHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1C(=O)N1CCOCC1 ZINC000224324057 569940608 /nfs/dbraw/zinc/94/06/08/569940608.db2.gz QDMHHDYRWIJBQT-UHFFFAOYSA-N -1 1 483.615 3.668 40 0 JHABMM COc1ccccc1OCCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224398919 569943249 /nfs/dbraw/zinc/94/32/49/569943249.db2.gz IZUXWBZJDUEEHH-UHFFFAOYSA-N -1 1 460.939 3.958 40 0 JHABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)N4CCC(C)CC4)c3)cc2sc1=O ZINC000225098915 569974980 /nfs/dbraw/zinc/97/49/80/569974980.db2.gz HMAFPVPRNBZYIT-UHFFFAOYSA-N -1 1 489.619 3.764 40 0 JHABMM CCOC(=O)COc1ccccc1C=C(Sc1nc(-c2cc(OC)cc(OC)c2)n[nH]1)C(=O)[O-] ZINC000408631801 569983230 /nfs/dbraw/zinc/98/32/30/569983230.db2.gz GKZUMWMEHQRKSG-ODLFYWEKSA-N -1 1 485.518 3.649 40 0 JHABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(OC)c(OC)cc3OC)C(=O)[O-])n2)c1 ZINC000408632146 569983479 /nfs/dbraw/zinc/98/34/79/569983479.db2.gz HQSMBCZGWQJJOS-OCKHKDLRSA-N -1 1 473.507 3.733 40 0 JHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3COc4ccccc4O3)ccc2C)cc1C ZINC000225250959 569985746 /nfs/dbraw/zinc/98/57/46/569985746.db2.gz PYYCXCVLOCMGFX-OAQYLSRUSA-N -1 1 466.559 3.982 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@H]3COc4ccccc4O3)ccc2C)cc1 ZINC000225254924 569986147 /nfs/dbraw/zinc/98/61/47/569986147.db2.gz QRPWDHVVQUWVFL-IBGZPJMESA-N -1 1 452.532 3.674 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@@H]3COc4ccccc4O3)ccc2C)cc1 ZINC000225254892 569986157 /nfs/dbraw/zinc/98/61/57/569986157.db2.gz QRPWDHVVQUWVFL-LJQANCHMSA-N -1 1 452.532 3.674 40 0 JHABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc2n1Cc1ccccc1 ZINC000225742296 570019045 /nfs/dbraw/zinc/01/90/45/570019045.db2.gz KZXHVMWNCNOKIL-UHFFFAOYSA-N -1 1 454.529 3.683 40 0 JHABMM O=C(c1cc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc2s1)N1CCOCC1 ZINC000408712981 570025364 /nfs/dbraw/zinc/02/53/64/570025364.db2.gz FATDLFKMCXKLRA-UHFFFAOYSA-N -1 1 481.393 3.937 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000408927255 570078722 /nfs/dbraw/zinc/07/87/22/570078722.db2.gz YWGRDANFTZIFKN-UHFFFAOYSA-N -1 1 487.603 3.509 40 0 JHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1 ZINC000408552986 570195647 /nfs/dbraw/zinc/19/56/47/570195647.db2.gz TYTLKOGECZVNAI-UHFFFAOYSA-N -1 1 454.504 3.925 40 0 JHABMM COc1ccc(C(=O)Cn2nnc(-c3ccccc3[N-]S(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 ZINC000001372693 194106443 /nfs/dbraw/zinc/10/64/43/194106443.db2.gz FYLUUEYCNNEDNC-UHFFFAOYSA-N -1 1 491.573 3.958 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c(Cl)c1Cl ZINC000020484865 525084340 /nfs/dbraw/zinc/08/43/40/525084340.db2.gz OMNRQLLPNBMLPJ-UHFFFAOYSA-N -1 1 488.374 3.999 40 0 JHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000013678561 555569729 /nfs/dbraw/zinc/56/97/29/555569729.db2.gz JJDDPCJHGGOEKQ-LJQANCHMSA-N -1 1 493.585 3.957 40 0 JHABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1)CC(=O)N2 ZINC000040390517 569825092 /nfs/dbraw/zinc/82/50/92/569825092.db2.gz LDTHKSVJCCNZKX-HIFRSBDPSA-N -1 1 479.459 3.502 40 0 JHABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C ZINC000224223444 569937100 /nfs/dbraw/zinc/93/71/00/569937100.db2.gz PBPOSIDGYYHDLF-UHFFFAOYSA-N -1 1 452.598 3.678 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2)cc1 ZINC000224557157 569948322 /nfs/dbraw/zinc/94/83/22/569948322.db2.gz KLVDTNMEPRJNIJ-UHFFFAOYSA-N -1 1 479.602 3.558 40 0 JHABMM Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000224557288 569948354 /nfs/dbraw/zinc/94/83/54/569948354.db2.gz NUGIKNCHGORQCP-UHFFFAOYSA-N -1 1 479.602 3.558 40 0 JHABMM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408601009 569968939 /nfs/dbraw/zinc/96/89/39/569968939.db2.gz DLACEBCUGPFNRA-GFCCVEGCSA-N -1 1 480.892 3.690 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(OC)ccc3OC)cc2)c1 ZINC000408604931 569970591 /nfs/dbraw/zinc/97/05/91/569970591.db2.gz MFJBZADHRPVQDB-UHFFFAOYSA-N -1 1 472.519 3.531 40 0 JHABMM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(SC)c(NC(=O)C(C)C)c3)n2)cc1 ZINC000225112776 569975661 /nfs/dbraw/zinc/97/56/61/569975661.db2.gz GBWMCZRCQGPXFV-UHFFFAOYSA-N -1 1 490.607 3.930 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3COc4ccccc4O3)ccc2C)c1C ZINC000225250905 569985739 /nfs/dbraw/zinc/98/57/39/569985739.db2.gz NDOTVOHVNFIDTK-FQEVSTJZSA-N -1 1 466.559 3.982 40 0 JHABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1[N-]S(C)(=O)=O ZINC000225472549 569998313 /nfs/dbraw/zinc/99/83/13/569998313.db2.gz KAWLTWFMZFFZGA-SFTDATJTSA-N -1 1 471.608 3.584 40 0 JHABMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 ZINC000225791141 570021851 /nfs/dbraw/zinc/02/18/51/570021851.db2.gz SEUHJPCTGNOJPI-UHFFFAOYSA-N -1 1 473.963 3.664 40 0 JHABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@H](c2ccc3c(c2)OCO3)C1C(=O)OCC ZINC000408879040 570062187 /nfs/dbraw/zinc/06/21/87/570062187.db2.gz AHFBJGWOAXTKAH-HXUWFJFHSA-N -1 1 454.504 3.884 40 0 JHABMM COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3C[N@H+](CC(=O)N(CC(=O)[O-])c4ccccc4)CC[C@@H]3O[C@H]21 ZINC000257241644 570120635 /nfs/dbraw/zinc/12/06/35/570120635.db2.gz HYWZCEBATDQWBQ-IJPNPREFSA-N -1 1 494.588 3.752 40 0 JHABMM COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(CC(=O)N(CC(=O)[O-])c4ccccc4)CC[C@@H]3O[C@H]21 ZINC000257241644 570120636 /nfs/dbraw/zinc/12/06/36/570120636.db2.gz HYWZCEBATDQWBQ-IJPNPREFSA-N -1 1 494.588 3.752 40 0 JHABMM COCCCN1C(=O)S/C(=C/c2cc(OC)c([O-])c(Br)c2Br)C1=O ZINC000409221156 570174448 /nfs/dbraw/zinc/17/44/48/570174448.db2.gz LSJZINZGUDYNNI-JXMROGBWSA-N -1 1 481.162 3.999 40 0 JHABMM CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)CC1 ZINC000408547579 570193815 /nfs/dbraw/zinc/19/38/15/570193815.db2.gz ZWTZSBANBQSVCF-UHFFFAOYSA-N -1 1 458.580 3.828 40 0 JHABMM CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)CC1 ZINC000408547906 570193932 /nfs/dbraw/zinc/19/39/32/570193932.db2.gz OLCQKJWZHNPALA-UHFFFAOYSA-N -1 1 458.580 3.828 40 0 JHABMM CCOC(=O)C1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)CC1 ZINC000038757322 520570013 /nfs/dbraw/zinc/57/00/13/520570013.db2.gz IRLVHHLZSOYDPU-UHFFFAOYSA-N -1 1 450.944 3.556 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)cc2)c1 ZINC000022537072 526210840 /nfs/dbraw/zinc/21/08/40/526210840.db2.gz OULSKSURVVTQAH-MRXNPFEDSA-N -1 1 458.511 3.891 40 0 JHABMM O=S(=O)(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000020494052 527191065 /nfs/dbraw/zinc/19/10/65/527191065.db2.gz LVCWREFRMFWEDQ-UHFFFAOYSA-N -1 1 482.381 3.587 40 0 JHABMM COCCNC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010314611 555680461 /nfs/dbraw/zinc/68/04/61/555680461.db2.gz VDGZPVRZZYCFDW-UHFFFAOYSA-N -1 1 481.574 3.733 40 0 JHABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010335170 555690084 /nfs/dbraw/zinc/69/00/84/555690084.db2.gz SYRWTSRVGSGHPC-UHFFFAOYSA-N -1 1 484.530 3.852 40 0 JHABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010367737 555698589 /nfs/dbraw/zinc/69/85/89/555698589.db2.gz SLVDJHXZCUYUIT-UHFFFAOYSA-N -1 1 496.541 3.930 40 0 JHABMM COC(=O)c1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc(C(=O)OC)c1 ZINC000010369561 555699146 /nfs/dbraw/zinc/69/91/46/555699146.db2.gz NHDXUVRZQBNJQJ-UHFFFAOYSA-N -1 1 482.514 3.621 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000014154747 555712178 /nfs/dbraw/zinc/71/21/78/555712178.db2.gz DQHNUGWAEOMZGG-SFHVURJKSA-N -1 1 487.603 3.589 40 0 JHABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c(OC)c1OC ZINC000018127327 556291786 /nfs/dbraw/zinc/29/17/86/556291786.db2.gz DNXXZHCPMYZUJT-DPLHUUCSSA-N -1 1 460.486 3.764 40 0 JHABMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000030856003 556379861 /nfs/dbraw/zinc/37/98/61/556379861.db2.gz WKLPKRKJTGGXTL-UHFFFAOYSA-N -1 1 494.978 3.869 40 0 JHABMM Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCC[N-]C(=O)C(F)(F)F)NC(=O)OC(C)(C)C)ccc12 ZINC000049792062 563203860 /nfs/dbraw/zinc/20/38/60/563203860.db2.gz UFFVNATYYXBMGO-INIZCTEOSA-N -1 1 499.486 3.782 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)cc2)c1 ZINC000222734764 569889824 /nfs/dbraw/zinc/88/98/24/569889824.db2.gz IRTPXZQMCIYXBN-UHFFFAOYSA-N -1 1 458.511 3.673 40 0 JHABMM COC(=O)[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c2ccccc2O1 ZINC000222875415 569893280 /nfs/dbraw/zinc/89/32/80/569893280.db2.gz LJXOZYXXRXFBQF-DEOSSOPVSA-N -1 1 494.569 3.696 40 0 JHABMM Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000223852591 569925121 /nfs/dbraw/zinc/92/51/21/569925121.db2.gz BSCILXOMJORQPE-KRWDZBQOSA-N -1 1 472.588 3.690 40 0 JHABMM COc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000224091640 569933027 /nfs/dbraw/zinc/93/30/27/569933027.db2.gz ZDYRIVIZPVYOFC-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408597242 569967308 /nfs/dbraw/zinc/96/73/08/569967308.db2.gz YDHZLIBNQPTFJF-UHFFFAOYSA-N -1 1 474.922 3.945 40 0 JHABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408617775 569976424 /nfs/dbraw/zinc/97/64/24/569976424.db2.gz JOFLDPHFGJXQFG-UHFFFAOYSA-N -1 1 470.503 3.544 40 0 JHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000408693027 570015726 /nfs/dbraw/zinc/01/57/26/570015726.db2.gz BNXBWOFDJPGGRA-UHFFFAOYSA-N -1 1 460.552 3.689 40 0 JHABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000408907467 570071282 /nfs/dbraw/zinc/07/12/82/570071282.db2.gz OTQJAUWHDXYVGC-UHFFFAOYSA-N -1 1 473.576 3.863 40 0 JHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)cc1NC(=O)c1ccccc1 ZINC000408554614 570196374 /nfs/dbraw/zinc/19/63/74/570196374.db2.gz CVDJSLBTUFYWOP-UHFFFAOYSA-N -1 1 454.504 3.925 40 0 JHABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)cc1 ZINC000022527601 525302128 /nfs/dbraw/zinc/30/21/28/525302128.db2.gz NAVWWTJNYKISEL-UHFFFAOYSA-N -1 1 485.587 3.723 40 0 JHABMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[n-]c(=O)c32)c(OC)c1OC ZINC000013567358 555504703 /nfs/dbraw/zinc/50/47/03/555504703.db2.gz PNGZVCYLGGTIOQ-OAHLLOKOSA-N -1 1 471.510 3.701 40 0 JHABMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)c(OC)c1OC ZINC000013567301 555504760 /nfs/dbraw/zinc/50/47/60/555504760.db2.gz IBQKQYOHTMASCJ-INIZCTEOSA-N -1 1 467.547 3.871 40 0 JHABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000019856943 555518242 /nfs/dbraw/zinc/51/82/42/555518242.db2.gz IGMLVZDFPAODMP-UHFFFAOYSA-N -1 1 493.994 3.789 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000013679850 555571984 /nfs/dbraw/zinc/57/19/84/555571984.db2.gz PTBZMPHZRJBROQ-OAQYLSRUSA-N -1 1 493.585 3.957 40 0 JHABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010314326 555679729 /nfs/dbraw/zinc/67/97/29/555679729.db2.gz YNEWWVYUQLZBLE-UHFFFAOYSA-N -1 1 482.514 3.621 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)c1 ZINC000014397037 555802913 /nfs/dbraw/zinc/80/29/13/555802913.db2.gz NAYPWFAXVKVBJN-UHFFFAOYSA-N -1 1 451.548 3.885 40 0 JHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000026117913 556247645 /nfs/dbraw/zinc/24/76/45/556247645.db2.gz YJNWSWDJERLKBP-UHFFFAOYSA-N -1 1 492.619 3.639 40 0 JHABMM O=C(Nc1cccc2ccccc21)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000040390689 569825087 /nfs/dbraw/zinc/82/50/87/569825087.db2.gz LWIHJTKWENMFGF-FQEVSTJZSA-N -1 1 465.513 3.550 40 0 JHABMM O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000107633171 569856813 /nfs/dbraw/zinc/85/68/13/569856813.db2.gz GLULYHCHJCYREK-CIAFOILYSA-N -1 1 469.453 3.643 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000108073400 569858549 /nfs/dbraw/zinc/85/85/49/569858549.db2.gz PFRVTONXLHBUDW-UHFFFAOYSA-N -1 1 459.911 3.501 40 0 JHABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(OC(F)(F)F)c1)CC(=O)N2 ZINC000139112225 569867236 /nfs/dbraw/zinc/86/72/36/569867236.db2.gz LDTHKSVJCCNZKX-DZGCQCFKSA-N -1 1 479.459 3.502 40 0 JHABMM COc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000224081296 569932713 /nfs/dbraw/zinc/93/27/13/569932713.db2.gz GTLZBTPVKWVKSZ-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2C)cc1 ZINC000224562236 569948513 /nfs/dbraw/zinc/94/85/13/569948513.db2.gz ZSVHKADQDWYSMU-UHFFFAOYSA-N -1 1 493.629 3.866 40 0 JHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C(=O)N1CCOCC1 ZINC000224879603 569961579 /nfs/dbraw/zinc/96/15/79/569961579.db2.gz PEFMJUMYRAVTHT-UHFFFAOYSA-N -1 1 476.498 3.580 40 0 JHABMM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408601010 569968912 /nfs/dbraw/zinc/96/89/12/569968912.db2.gz DLACEBCUGPFNRA-LBPRGKRZSA-N -1 1 480.892 3.690 40 0 JHABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc(C(=O)OC)c1 ZINC000408622137 569978650 /nfs/dbraw/zinc/97/86/50/569978650.db2.gz MQBAMASQLLCIJB-UHFFFAOYSA-N -1 1 482.514 3.621 40 0 JHABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3COc4ccccc4O3)ccc2C)c1 ZINC000225251087 569985748 /nfs/dbraw/zinc/98/57/48/569985748.db2.gz JVLQJVFRSJRJGT-NRFANRHFSA-N -1 1 466.559 3.982 40 0 JHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3COc4ccccc4O3)ccc2C)c(C)c1 ZINC000225251959 569985918 /nfs/dbraw/zinc/98/59/18/569985918.db2.gz ZFRNKJPBLSWTCI-HXUWFJFHSA-N -1 1 466.559 3.982 40 0 JHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)CC ZINC000408696444 570018657 /nfs/dbraw/zinc/01/86/57/570018657.db2.gz BMAKLSCKWMXACH-UHFFFAOYSA-N -1 1 474.320 3.839 40 0 JHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000408921084 570077231 /nfs/dbraw/zinc/07/72/31/570077231.db2.gz RXOFGORXVHWQMQ-UHFFFAOYSA-N -1 1 493.994 3.546 40 0 JHABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257201714 570108353 /nfs/dbraw/zinc/10/83/53/570108353.db2.gz AISULTPPXWXSLS-HXUWFJFHSA-N -1 1 454.914 3.503 40 0 JHABMM CC(C(=O)N1CCC[C@@H](Cc2n[n-]cc2S(C)(=O)=O)C1)(c1ccccc1)c1ccccc1 ZINC000257268836 570129300 /nfs/dbraw/zinc/12/93/00/570129300.db2.gz MNKOUBUQGGUJIL-IBGZPJMESA-N -1 1 451.592 3.601 40 0 JHABMM CC(C(=O)N1CCC[C@@H](Cc2[n-]ncc2S(C)(=O)=O)C1)(c1ccccc1)c1ccccc1 ZINC000257268836 570129301 /nfs/dbraw/zinc/12/93/01/570129301.db2.gz MNKOUBUQGGUJIL-IBGZPJMESA-N -1 1 451.592 3.601 40 0 JHABMM COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000021577329 195315654 /nfs/dbraw/zinc/31/56/54/195315654.db2.gz QABMKVFJLVOKLL-UHFFFAOYSA-N -1 1 493.585 3.545 40 0 JHABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(I)c2)ccc1Cl ZINC000020494547 521443466 /nfs/dbraw/zinc/44/34/66/521443466.db2.gz NMYODNRVQZTDEW-UHFFFAOYSA-N -1 1 495.722 3.931 40 0 JHABMM COc1cc(OC)c([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1OC ZINC000013567282 555504455 /nfs/dbraw/zinc/50/44/55/555504455.db2.gz VHKKKCMYTLHCLY-MRXNPFEDSA-N -1 1 467.547 3.871 40 0 JHABMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c(OC)c1OC ZINC000013567297 555504722 /nfs/dbraw/zinc/50/47/22/555504722.db2.gz MMCOPBYHZOPPEZ-HNNXBMFYSA-N -1 1 453.520 3.562 40 0 JHABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000013647527 555551657 /nfs/dbraw/zinc/55/16/57/555551657.db2.gz SJDAOMIMUILFKO-UHFFFAOYSA-N -1 1 460.552 3.689 40 0 JHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c(C)c1 ZINC000013670702 555561320 /nfs/dbraw/zinc/56/13/20/555561320.db2.gz KKIWFUZYHIGUHM-UHFFFAOYSA-N -1 1 460.552 3.607 40 0 JHABMM CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1 ZINC000010369280 555699071 /nfs/dbraw/zinc/69/90/71/555699071.db2.gz DTEXGUPGZFCNJS-UHFFFAOYSA-N -1 1 479.967 3.765 40 0 JHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000014401065 555806615 /nfs/dbraw/zinc/80/66/15/555806615.db2.gz WCBSOUSDONXLGN-UHFFFAOYSA-N -1 1 451.548 3.885 40 0 JHABMM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCOCC1 ZINC000026117126 556246969 /nfs/dbraw/zinc/24/69/69/556246969.db2.gz DWXHBGUUDSOVPK-UHFFFAOYSA-N -1 1 461.392 3.989 40 0 JHABMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000030860868 556381576 /nfs/dbraw/zinc/38/15/76/556381576.db2.gz GHJBYHIKUPPIPH-UHFFFAOYSA-N -1 1 488.587 3.833 40 0 JHABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)cc1C ZINC000038828148 569808047 /nfs/dbraw/zinc/80/80/47/569808047.db2.gz ZNTUSMUKSMOTOE-QFIPXVFZSA-N -1 1 485.588 3.910 40 0 JHABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)cc1 ZINC000038828101 569808053 /nfs/dbraw/zinc/80/80/53/569808053.db2.gz DHTUKJFBKQNAGC-OAQYLSRUSA-N -1 1 471.561 3.602 40 0 JHABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000102755185 569821394 /nfs/dbraw/zinc/82/13/94/569821394.db2.gz SZXFTLFDOZCYIQ-AOHZBQACSA-N -1 1 488.496 3.762 40 0 JHABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4nc5ccccc5n4c3=O)cc2Br)n1 ZINC000106945153 569855972 /nfs/dbraw/zinc/85/59/72/569855972.db2.gz CTBILYNACAQEQC-RIYZIHGNSA-N -1 1 487.360 3.768 40 0 JHABMM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2 ZINC000139104089 569867129 /nfs/dbraw/zinc/86/71/29/569867129.db2.gz NFTSDEASCJEZDK-ZYHUDNBSSA-N -1 1 483.878 3.885 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3cccc(OC)c3)cc2)c1 ZINC000222737532 569889931 /nfs/dbraw/zinc/88/99/31/569889931.db2.gz DLUURMIYFUEZQY-UHFFFAOYSA-N -1 1 456.520 3.546 40 0 JHABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2c1 ZINC000222847963 569892622 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CSc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)N1CCOCC1 ZINC000026117091 556247021 /nfs/dbraw/zinc/24/70/21/556247021.db2.gz UUVUPORLAKUXOA-UHFFFAOYSA-N -1 1 460.499 3.701 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)c2)cc1 ZINC000030849273 556376879 /nfs/dbraw/zinc/37/68/79/556376879.db2.gz HEGTUUJISFYSSA-UHFFFAOYSA-N -1 1 484.965 3.892 40 0 JHABMM Cc1ccc(-c2noc([C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)n2)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000035269470 569679226 /nfs/dbraw/zinc/67/92/26/569679226.db2.gz LXWXKZHABVUJBZ-JHPSMNPCSA-N -1 1 469.494 3.650 40 0 JHABMM C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(Oc4ccccc4)cc2)CC(=O)N3)C1 ZINC000040388815 569824656 /nfs/dbraw/zinc/82/46/56/569824656.db2.gz HGCBJAFVZPMZAD-UZLBHIALSA-N -1 1 473.533 3.863 40 0 JHABMM C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2 ZINC000040390359 569824845 /nfs/dbraw/zinc/82/48/45/569824845.db2.gz NFTSDEASCJEZDK-JQWIXIFHSA-N -1 1 483.878 3.885 40 0 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COc1ccccc1OCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224085238 569932820 /nfs/dbraw/zinc/93/28/20/569932820.db2.gz KKBJRULZYVRLRV-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM COc1cc(OC)cc(-c2nc(SC(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C(=O)[O-])n[nH]2)c1 ZINC000408633085 569984210 /nfs/dbraw/zinc/98/42/10/569984210.db2.gz LJMYOTHDIZMOMX-LSCADSNKSA-N -1 1 479.518 3.588 40 0 JHABMM O=C(NC[C@H]1COc2ccccc2O1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000225265478 569986862 /nfs/dbraw/zinc/98/68/62/569986862.db2.gz ZPUXGZFIKGFSMN-INIZCTEOSA-N -1 1 458.923 3.711 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)N1CCCCC1 ZINC000408692994 570015779 /nfs/dbraw/zinc/01/57/79/570015779.db2.gz AOLNOXVBHKZQDF-UHFFFAOYSA-N -1 1 453.358 3.885 40 0 JHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(C)=O ZINC000225787330 570021710 /nfs/dbraw/zinc/02/17/10/570021710.db2.gz HYXQPLOBEUXAIO-UHFFFAOYSA-N -1 1 462.334 3.772 40 0 JHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000408706135 570024979 /nfs/dbraw/zinc/02/49/79/570024979.db2.gz VWPKVJLSLLCZQA-UHFFFAOYSA-N -1 1 460.552 3.545 40 0 JHABMM O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(Br)c2)C1=O)Nc1ccc(F)cc1 ZINC000408873093 570060194 /nfs/dbraw/zinc/06/01/94/570060194.db2.gz RITSATCKBWZSCO-NVNXTCNLSA-N -1 1 451.273 3.969 40 0 JHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)cc2)c1 ZINC000408920261 570076921 /nfs/dbraw/zinc/07/69/21/570076921.db2.gz DPBRTKKBKKKLQX-UHFFFAOYSA-N -1 1 487.603 3.509 40 0 JHABMM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O ZINC000409009503 570099049 /nfs/dbraw/zinc/09/90/49/570099049.db2.gz AOCAHLBJLRFNJK-IGCGCMMHSA-N -1 1 481.695 3.638 40 0 JHABMM CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O ZINC000409009502 570099075 /nfs/dbraw/zinc/09/90/75/570099075.db2.gz AOCAHLBJLRFNJK-AUEGDVLESA-N -1 1 481.695 3.638 40 0 JHABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257237899 570119527 /nfs/dbraw/zinc/11/95/27/570119527.db2.gz HISVCVLFOXUVIQ-FQEVSTJZSA-N -1 1 454.914 3.503 40 0 JHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408555677 570196990 /nfs/dbraw/zinc/19/69/90/570196990.db2.gz FPGHXRICXCHQED-UHFFFAOYSA-N -1 1 473.938 3.891 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1NC(=O)c1ccccc1F ZINC000408584794 570207702 /nfs/dbraw/zinc/20/77/02/570207702.db2.gz VDFXFVVBJKQCRR-UHFFFAOYSA-N -1 1 457.483 3.846 40 0 JHABMM O=C1N/C(=C/c2cc(Cl)cc(I)c2[O-])C(=O)N1Cc1ccccc1 ZINC000409232870 195510844 /nfs/dbraw/zinc/51/08/44/195510844.db2.gz SPQDWTCUTIQQCP-VGOFMYFVSA-N -1 1 454.651 3.743 40 0 JHABMM CCOC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)CC1 ZINC000044883676 520572850 /nfs/dbraw/zinc/57/28/50/520572850.db2.gz KEAIJKXEXKDZCJ-UHFFFAOYSA-N -1 1 450.944 3.556 40 0 JHABMM Cn1c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2n(C)c1=O ZINC000020491439 527103162 /nfs/dbraw/zinc/10/31/62/527103162.db2.gz KLCQZBUKJUAUCP-UHFFFAOYSA-N -1 1 470.938 3.584 40 0 JHABMM COc1cc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1OC ZINC000013567278 555504434 /nfs/dbraw/zinc/50/44/34/555504434.db2.gz PEMVMLWNRZGWKX-OAHLLOKOSA-N -1 1 453.520 3.562 40 0 JHABMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)c(OC)c1OC ZINC000013567359 555504709 /nfs/dbraw/zinc/50/47/09/555504709.db2.gz ZZMHWKBIDGPXSO-HNNXBMFYSA-N -1 1 471.510 3.701 40 0 JHABMM COc1cc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1OC ZINC000013567393 555504921 /nfs/dbraw/zinc/50/49/21/555504921.db2.gz NEKJDLFLGXUUPB-HNNXBMFYSA-N -1 1 471.510 3.701 40 0 JHABMM Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009904158 555563298 /nfs/dbraw/zinc/56/32/98/555563298.db2.gz LAIPXWLRBKTPIB-UHFFFAOYSA-N -1 1 499.614 3.833 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)c2C)cc1 ZINC000013680311 555572665 /nfs/dbraw/zinc/57/26/65/555572665.db2.gz VEYABDOTGIKONL-UHFFFAOYSA-N -1 1 493.585 3.829 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3OC)cc2)c1 ZINC000020021011 555598119 /nfs/dbraw/zinc/59/81/19/555598119.db2.gz FSGSONMXWUJLRS-KRWDZBQOSA-N -1 1 470.547 3.761 40 0 JHABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000010112337 555625210 /nfs/dbraw/zinc/62/52/10/555625210.db2.gz LDLJXJUDNFRTKX-UHFFFAOYSA-N -1 1 474.579 3.997 40 0 JHABMM COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314407 555679885 /nfs/dbraw/zinc/67/98/85/555679885.db2.gz NVHRMHNYDHBSEB-UHFFFAOYSA-N -1 1 481.574 3.814 40 0 JHABMM CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCc3ccccc3OC)c(=O)c2c1 ZINC000006296476 562937253 /nfs/dbraw/zinc/93/72/53/562937253.db2.gz ZNDLEXYCYGJEHN-UHFFFAOYSA-N -1 1 491.569 3.682 40 0 investigational JHABMM CCOC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)CC1 ZINC000038755042 569806945 /nfs/dbraw/zinc/80/69/45/569806945.db2.gz UUDTVOSJSBTNLE-UHFFFAOYSA-N -1 1 464.971 3.865 40 0 JHABMM Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)c1 ZINC000038828123 569808062 /nfs/dbraw/zinc/80/80/62/569808062.db2.gz OAJJVWNPWFVFRW-OAQYLSRUSA-N -1 1 471.561 3.602 40 0 JHABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)N2 ZINC000040390491 569824924 /nfs/dbraw/zinc/82/49/24/569824924.db2.gz VPDOURWABXODSR-ZFWWWQNUSA-N -1 1 479.459 3.502 40 0 JHABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)cc1 ZINC000040399823 569826950 /nfs/dbraw/zinc/82/69/50/569826950.db2.gz RDHHOJDVKDVUNN-GOSISDBHSA-N -1 1 455.474 3.740 40 0 JHABMM CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400421 569827590 /nfs/dbraw/zinc/82/75/90/569827590.db2.gz NDHDPEKQNLZFCT-IBGZPJMESA-N -1 1 489.532 3.843 40 0 JHABMM O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])[N@H+]1C[C@H]3C[C@@H](C1)c1cccc(=O)n1C3)cn2Cc1ccccc1 ZINC000217546270 569880219 /nfs/dbraw/zinc/88/02/19/569880219.db2.gz ZICYIJHPNSQZML-WXJXEWBDSA-N -1 1 497.551 3.795 40 0 JHABMM COC(=O)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c2ccccc2O1 ZINC000222875468 569893330 /nfs/dbraw/zinc/89/33/30/569893330.db2.gz LJXOZYXXRXFBQF-XMMPIXPASA-N -1 1 494.569 3.696 40 0 JHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408597196 569967257 /nfs/dbraw/zinc/96/72/57/569967257.db2.gz XVKYMFVXBLEBQH-QGZVFWFLSA-N -1 1 462.568 3.736 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)NC[C@@H]1CCCO1 ZINC000408601339 569969058 /nfs/dbraw/zinc/96/90/58/569969058.db2.gz FTJPBSFDQIUUEJ-HNNXBMFYSA-N -1 1 492.903 3.834 40 0 JHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)cc1NC(=O)C(C)C ZINC000225070885 569973289 /nfs/dbraw/zinc/97/32/89/569973289.db2.gz ZDCLVGHWUIRYGW-UHFFFAOYSA-N -1 1 451.595 3.717 40 0 JHABMM CC(C)n1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)cc2sc1=O ZINC000225180929 569980694 /nfs/dbraw/zinc/98/06/94/569980694.db2.gz KUDUVRQDVMYGRK-UHFFFAOYSA-N -1 1 457.577 3.744 40 0 JHABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1[N-]S(C)(=O)=O ZINC000225472590 569998366 /nfs/dbraw/zinc/99/83/66/569998366.db2.gz KAWLTWFMZFFZGA-RTWAWAEBSA-N -1 1 471.608 3.584 40 0 JHABMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1 ZINC000225751900 570020108 /nfs/dbraw/zinc/02/01/08/570020108.db2.gz JDUUIZRYHGNGBI-UHFFFAOYSA-N -1 1 467.572 3.614 40 0 JHABMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1 ZINC000225804619 570022648 /nfs/dbraw/zinc/02/26/48/570022648.db2.gz QLJMPLVBBIHGCV-UHFFFAOYSA-N -1 1 473.963 3.664 40 0 JHABMM CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O ZINC000409106663 570130422 /nfs/dbraw/zinc/13/04/22/570130422.db2.gz SBXHZNBPTLFHPB-NYYWCZLTSA-N -1 1 481.695 3.638 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NCc1cccnc1 ZINC000408556612 570197568 /nfs/dbraw/zinc/19/75/68/570197568.db2.gz JTKNBBKMRPYOGQ-UHFFFAOYSA-N -1 1 466.346 3.884 40 0 JHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc(OC)c1O ZINC000013567315 555504788 /nfs/dbraw/zinc/50/47/88/555504788.db2.gz HMPYKVUIOSCPQS-AWEZNQCLSA-N -1 1 473.938 3.913 40 0 JHABMM CN(c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1)S(C)(=O)=O ZINC000020041234 555613969 /nfs/dbraw/zinc/61/39/69/555613969.db2.gz VKZSRGWVQWPHGK-UHFFFAOYSA-N -1 1 493.994 3.789 40 0 JHABMM Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O)[C@@H]1C[C@@H](C)CCN31 ZINC000017044478 556210415 /nfs/dbraw/zinc/21/04/15/556210415.db2.gz IKPNHQIOFCEZNE-HPYKGQJFSA-N -1 1 468.557 3.969 40 0 JHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1C(=O)N1CCOCC1 ZINC000026117339 556247028 /nfs/dbraw/zinc/24/70/28/556247028.db2.gz PRPQMDCPKQHQDY-UHFFFAOYSA-N -1 1 485.425 3.753 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCC(=O)NC[C@H]4CCCO4)sc3c2)cc1 ZINC000059489659 569605753 /nfs/dbraw/zinc/60/57/53/569605753.db2.gz DHIHNEVRJNPQRA-MRXNPFEDSA-N -1 1 477.633 3.793 40 0 JHABMM O=C(NCCc1ccccc1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399545 569826775 /nfs/dbraw/zinc/82/67/75/569826775.db2.gz LTYQNLDCAJILRT-CQSZACIVSA-N -1 1 472.332 3.605 40 0 JHABMM NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000107537622 569856504 /nfs/dbraw/zinc/85/65/04/569856504.db2.gz NQMIKVFPDMLGBB-UHFFFAOYSA-N -1 1 494.356 3.911 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 ZINC000223846163 569924995 /nfs/dbraw/zinc/92/49/95/569924995.db2.gz MGICHSGQNXPMLK-QGZVFWFLSA-N -1 1 472.588 3.690 40 0 JHABMM Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000225036162 569970670 /nfs/dbraw/zinc/97/06/70/569970670.db2.gz QSKOCAZINYCVOK-UHFFFAOYSA-N -1 1 453.545 3.962 40 0 JHABMM CCc1nc(SC(=Cc2cc(Br)c(O)c(I)c2)C(=O)[O-])n[nH]1 ZINC000408633206 569984259 /nfs/dbraw/zinc/98/42/59/569984259.db2.gz XBUFKHHTUJSXTP-UITAMQMPSA-N -1 1 496.124 3.658 40 0 JHABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3COc4ccccc4O3)ccc2C)c1 ZINC000225251051 569985789 /nfs/dbraw/zinc/98/57/89/569985789.db2.gz JVLQJVFRSJRJGT-OAQYLSRUSA-N -1 1 466.559 3.982 40 0 JHABMM O=C(NC[C@@H]1COc2ccccc2O1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000225265440 569986869 /nfs/dbraw/zinc/98/68/69/569986869.db2.gz ZPUXGZFIKGFSMN-MRXNPFEDSA-N -1 1 458.923 3.711 40 0 JHABMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c2)cc1 ZINC000408722980 570027437 /nfs/dbraw/zinc/02/74/37/570027437.db2.gz YQTVPOOCOCVRCW-DVECYGJZSA-N -1 1 470.547 3.590 40 0 JHABMM C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(Cl)c2)C[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000257262766 570127147 /nfs/dbraw/zinc/12/71/47/570127147.db2.gz LMVHUHRAUMMKRB-NGSHPTGOSA-N -1 1 494.975 3.849 40 0 JHABMM CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(Cl)c2)C[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000257262766 570127148 /nfs/dbraw/zinc/12/71/48/570127148.db2.gz LMVHUHRAUMMKRB-NGSHPTGOSA-N -1 1 494.975 3.849 40 0 JHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000409141699 570144999 /nfs/dbraw/zinc/14/49/99/570144999.db2.gz WKTRNMIFQZXQDE-UHFFFAOYSA-N -1 1 450.513 3.826 40 0 JHABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(I)c2)ccc1Cl ZINC000408545825 570193146 /nfs/dbraw/zinc/19/31/46/570193146.db2.gz OSQBVAXCUMVMTP-UHFFFAOYSA-N -1 1 481.695 3.541 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(=O)NCC(C)C ZINC000408583606 570207371 /nfs/dbraw/zinc/20/73/71/570207371.db2.gz IQLPYEJKHAEZLM-UHFFFAOYSA-N -1 1 472.348 3.786 40 0 JHABMM CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(Oc4ccccc4)cc2)CC(=O)N3)CC1 ZINC000022610146 521047534 /nfs/dbraw/zinc/04/75/34/521047534.db2.gz RZOURIMRRDRILH-HXUWFJFHSA-N -1 1 473.533 3.863 40 0 JHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc(OC)c1OC ZINC000013567293 555504422 /nfs/dbraw/zinc/50/44/22/555504422.db2.gz LZASGGGWUKDSBA-INIZCTEOSA-N -1 1 467.547 3.871 40 0 JHABMM 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460.939 3.845 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(=O)NC(C)C ZINC000408596219 569966723 /nfs/dbraw/zinc/96/67/23/569966723.db2.gz RTIZCRVGFKQYLJ-UHFFFAOYSA-N -1 1 458.321 3.539 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000408601371 569969036 /nfs/dbraw/zinc/96/90/36/569969036.db2.gz GCBACSAOQLQVAT-UHFFFAOYSA-N -1 1 474.922 3.930 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)NC[C@H]1CCCO1 ZINC000408601340 569969047 /nfs/dbraw/zinc/96/90/47/569969047.db2.gz FTJPBSFDQIUUEJ-OAHLLOKOSA-N -1 1 492.903 3.834 40 0 JHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)cc1C(=O)N1CCC(C)CC1 ZINC000225050206 569971810 /nfs/dbraw/zinc/97/18/10/569971810.db2.gz MPVYJDUTJHXHIC-UHFFFAOYSA-N -1 1 491.660 3.995 40 0 JHABMM Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408613948 569973651 /nfs/dbraw/zinc/97/36/51/569973651.db2.gz ZBYGWDQJTHRKNH-OAQYLSRUSA-N -1 1 493.585 3.957 40 0 JHABMM 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COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Br)c3)C2=O)cc1 ZINC000409150860 570149055 /nfs/dbraw/zinc/14/90/55/570149055.db2.gz FKGNKWQJOAWLEC-CXUHLZMHSA-N -1 1 463.309 3.838 40 0 JHABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O)Nc1cccc(F)c1 ZINC000409245867 570184062 /nfs/dbraw/zinc/18/40/62/570184062.db2.gz ACKFHDZEOVFKPL-VIZOYTHASA-N -1 1 451.273 3.969 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NCc1cccnc1 ZINC000408559565 570199874 /nfs/dbraw/zinc/19/98/74/570199874.db2.gz MMZCMMMMJYYUMZ-UHFFFAOYSA-N -1 1 466.346 3.884 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1I ZINC000409382156 195513931 /nfs/dbraw/zinc/51/39/31/195513931.db2.gz PKBAGTSINSOZLR-UHFFFAOYSA-N -1 1 468.110 3.863 40 0 JHABMM CCOc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)ccc1O ZINC000006553057 554551429 /nfs/dbraw/zinc/55/14/29/554551429.db2.gz GVRCKTDQJDJBPP-MDZRGWNJSA-N -1 1 458.820 3.548 40 0 JHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc(OC)c1OC ZINC000013567294 555504465 /nfs/dbraw/zinc/50/44/65/555504465.db2.gz LZASGGGWUKDSBA-MRXNPFEDSA-N -1 1 467.547 3.871 40 0 JHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc(OC)c1O ZINC000013567314 555504688 /nfs/dbraw/zinc/50/46/88/555504688.db2.gz WSIXOJGXWOYHPK-OAHLLOKOSA-N -1 1 453.520 3.568 40 0 JHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc(OC)c1OC ZINC000013567385 555504873 /nfs/dbraw/zinc/50/48/73/555504873.db2.gz MKHZZSWNGZPHHW-HNNXBMFYSA-N -1 1 471.510 3.701 40 0 JHABMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000013681139 555574094 /nfs/dbraw/zinc/57/40/94/555574094.db2.gz VBAWVQLMMLWDLW-DHZHZOJOSA-N -1 1 461.587 3.959 40 0 JHABMM Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013681434 555574408 /nfs/dbraw/zinc/57/44/08/555574408.db2.gz MLDUOXKLJOVJEM-UHFFFAOYSA-N -1 1 479.558 3.521 40 0 JHABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000010313947 555679214 /nfs/dbraw/zinc/67/92/14/555679214.db2.gz XGVIWTSWMABCQB-UHFFFAOYSA-N -1 1 496.541 3.930 40 0 JHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)c1 ZINC000010315279 555682049 /nfs/dbraw/zinc/68/20/49/555682049.db2.gz CYKNTVVPIKCBID-UHFFFAOYSA-N -1 1 473.576 3.728 40 0 JHABMM O=S(=O)([N-]c1ccccn1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000016978316 556194841 /nfs/dbraw/zinc/19/48/41/556194841.db2.gz UXWCPELJWZANHK-UHFFFAOYSA-N -1 1 458.348 3.990 40 0 JHABMM C[C@@H]1C[C@H](C)CN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)N3)C1 ZINC000040388648 569824494 /nfs/dbraw/zinc/82/44/94/569824494.db2.gz YWSNOBZTGRVLBX-LOWVWBTDSA-N -1 1 497.905 3.989 40 0 JHABMM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2 ZINC000040390357 569824898 /nfs/dbraw/zinc/82/48/98/569824898.db2.gz NFTSDEASCJEZDK-PWSUYJOCSA-N -1 1 483.878 3.885 40 0 JHABMM COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000108077346 569858500 /nfs/dbraw/zinc/85/85/00/569858500.db2.gz CCTZMFJDVGCUOP-WOJGMQOQSA-N -1 1 492.509 3.705 40 0 JHABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)N2 ZINC000139110311 569867166 /nfs/dbraw/zinc/86/71/66/569867166.db2.gz VPDOURWABXODSR-UKRRQHHQSA-N -1 1 479.459 3.502 40 0 JHABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C ZINC000223846554 569924961 /nfs/dbraw/zinc/92/49/61/569924961.db2.gz DRAFPFXVMDSLLQ-GOSISDBHSA-N -1 1 486.615 3.999 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2C)cc1 ZINC000223852720 569925068 /nfs/dbraw/zinc/92/50/68/569925068.db2.gz IPRHTJGUZINMAV-SFHVURJKSA-N -1 1 486.615 3.999 40 0 JHABMM COc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223940995 569927875 /nfs/dbraw/zinc/92/78/75/569927875.db2.gz PUTRLJCYWJQHCJ-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM COc1ccccc1OCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224091343 569933057 /nfs/dbraw/zinc/93/30/57/569933057.db2.gz RJJGLYYBESACJX-UHFFFAOYSA-N -1 1 454.548 3.922 40 0 JHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000224561799 569948482 /nfs/dbraw/zinc/94/84/82/569948482.db2.gz IULVMESWEZQZCQ-UHFFFAOYSA-N -1 1 479.602 3.558 40 0 JHABMM Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000224993901 569967853 /nfs/dbraw/zinc/96/78/53/569967853.db2.gz BUYUBDOISDOJKR-UHFFFAOYSA-N -1 1 451.548 3.885 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)c2)cc1 ZINC000225040567 569971240 /nfs/dbraw/zinc/97/12/40/569971240.db2.gz VGYGZMNBLZXQFB-UHFFFAOYSA-N -1 1 453.545 3.962 40 0 JHABMM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1)C(=O)N1CCOCC1 ZINC000408608649 569971877 /nfs/dbraw/zinc/97/18/77/569971877.db2.gz RSBKWYMUWIHBCX-ZDUSSCGKSA-N -1 1 492.903 3.786 40 0 JHABMM Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3ccccc3I)CC2)cc1 ZINC000408613683 569973389 /nfs/dbraw/zinc/97/33/89/569973389.db2.gz ZIRZBVVVJXCTKH-FQEVSTJZSA-N -1 1 492.357 3.964 40 0 JHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)ccc2C)cc1C ZINC000408622811 569978987 /nfs/dbraw/zinc/97/89/87/569978987.db2.gz RKMXOMDEQHASAA-UHFFFAOYSA-N -1 1 478.574 3.855 40 0 JHABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(OC)c(OC)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408632242 569983603 /nfs/dbraw/zinc/98/36/03/569983603.db2.gz ICLQHNAPJGCTMZ-LSCVHKIXSA-N -1 1 473.507 3.733 40 0 JHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1F ZINC000408696185 570018508 /nfs/dbraw/zinc/01/85/08/570018508.db2.gz XLCWESYRVMTVNH-UHFFFAOYSA-N -1 1 454.476 3.575 40 0 JHABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1OC ZINC000225739325 570018813 /nfs/dbraw/zinc/01/88/13/570018813.db2.gz PIABAIIVKJIQCA-UHFFFAOYSA-N -1 1 456.545 3.929 40 0 JHABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1 ZINC000225747940 570019653 /nfs/dbraw/zinc/01/96/53/570019653.db2.gz XBTNZQXBTPXOSO-UHFFFAOYSA-N -1 1 453.545 3.871 40 0 JHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(Cl)c1 ZINC000408920602 570076912 /nfs/dbraw/zinc/07/69/12/570076912.db2.gz JYBIJZCQJFPJDB-UHFFFAOYSA-N -1 1 493.994 3.546 40 0 JHABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409198739 570164324 /nfs/dbraw/zinc/16/43/24/570164324.db2.gz KLGCTFFUYYJUEM-CAOOACKPSA-N -1 1 491.319 3.601 40 0 JHABMM NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408534394 570189482 /nfs/dbraw/zinc/18/94/82/570189482.db2.gz SFPZCTQNTOMWGP-UHFFFAOYSA-N -1 1 494.356 3.911 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NCc1ccccn1 ZINC000408557764 570198495 /nfs/dbraw/zinc/19/84/95/570198495.db2.gz OTBKHKYTCGSANO-UHFFFAOYSA-N -1 1 466.346 3.884 40 0 JHABMM COC(=O)c1c(C)n(S(=O)(=O)c2ccccc2)c2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000001926198 194155647 /nfs/dbraw/zinc/15/56/47/194155647.db2.gz RBQQNGQHBZOUBF-UHFFFAOYSA-N -1 1 484.555 3.774 40 0 JHABMM COCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020485219 523928929 /nfs/dbraw/zinc/92/89/29/523928929.db2.gz SYSQBDZRPCBHGN-UHFFFAOYSA-N -1 1 487.965 3.769 40 0 JHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1N1CCCC1=O ZINC000022532676 525420928 /nfs/dbraw/zinc/42/09/28/525420928.db2.gz QWPVPQWFXUGLGP-UHFFFAOYSA-N -1 1 456.305 3.527 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)N4CCCCC4)o3)cc2)cc1 ZINC000000897112 553832878 /nfs/dbraw/zinc/83/28/78/553832878.db2.gz XWICEOZBIPOCLB-UHFFFAOYSA-N -1 1 472.592 3.950 40 0 JHABMM CCOc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)ccc1O ZINC000000909075 553840872 /nfs/dbraw/zinc/84/08/72/553840872.db2.gz GVRCKTDQJDJBPP-FCEWJHQRSA-N -1 1 458.820 3.753 40 0 JHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc(OC)c1OC ZINC000013567296 555504416 /nfs/dbraw/zinc/50/44/16/555504416.db2.gz XMXGGPHVFQYNIP-MRXNPFEDSA-N -1 1 467.547 3.871 40 0 JHABMM COc1cc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1OC ZINC000013567394 555504863 /nfs/dbraw/zinc/50/48/63/555504863.db2.gz NEKJDLFLGXUUPB-OAHLLOKOSA-N -1 1 471.510 3.701 40 0 JHABMM COc1ccc([N-]S(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1Cl ZINC000013585967 555524259 /nfs/dbraw/zinc/52/42/59/555524259.db2.gz XVXSVBRMSJSENO-UHFFFAOYSA-N -1 1 454.957 3.805 40 0 JHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)c1 ZINC000020021041 555598104 /nfs/dbraw/zinc/59/81/04/555598104.db2.gz LUNTXVZIKSKZRD-UHFFFAOYSA-N -1 1 466.437 3.931 40 0 JHABMM O=C(NCC1(c2ccccc2)CCOCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000029343090 556350590 /nfs/dbraw/zinc/35/05/90/556350590.db2.gz IBKNYKPHYFQGED-UHFFFAOYSA-N -1 1 450.560 3.966 40 0 JHABMM C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1)CC(=O)N2 ZINC000038828505 569808387 /nfs/dbraw/zinc/80/83/87/569808387.db2.gz QNZSDMHJPLMWHR-HUBLWGQQSA-N -1 1 479.459 3.500 40 0 JHABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000102732835 569818410 /nfs/dbraw/zinc/81/84/10/569818410.db2.gz MGSRZZZNMSSJNF-AOHZBQACSA-N -1 1 488.496 3.762 40 0 JHABMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000216310892 569878256 /nfs/dbraw/zinc/87/82/56/569878256.db2.gz YRFVITKDROJSFI-UHFFFAOYSA-N -1 1 474.560 3.524 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2C)cc1 ZINC000223852775 569925175 /nfs/dbraw/zinc/92/51/75/569925175.db2.gz IPRHTJGUZINMAV-GOSISDBHSA-N -1 1 486.615 3.999 40 0 JHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225040689 569971231 /nfs/dbraw/zinc/97/12/31/569971231.db2.gz PWSUSZGDZRYFIU-UHFFFAOYSA-N -1 1 453.545 3.962 40 0 JHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000408608589 569971891 /nfs/dbraw/zinc/97/18/91/569971891.db2.gz ODCWNMXPVATMME-NRFANRHFSA-N -1 1 493.585 3.957 40 0 JHABMM CCOC(=O)COc1ccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc1 ZINC000408632744 569984071 /nfs/dbraw/zinc/98/40/71/569984071.db2.gz KCXOZLUYHLRBOR-OCKHKDLRSA-N -1 1 485.518 3.649 40 0 JHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NCc1cccnc1 ZINC000408635521 569985843 /nfs/dbraw/zinc/98/58/43/569985843.db2.gz CWEMDFVWPBSGIG-UHFFFAOYSA-N -1 1 466.346 3.884 40 0 JHABMM NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000408636338 569986547 /nfs/dbraw/zinc/98/65/47/569986547.db2.gz ONVFAXQJBHWBTE-UHFFFAOYSA-N -1 1 494.356 3.911 40 0 JHABMM O=C(NC[C@H]1COc2ccccc2O1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000225265632 569986819 /nfs/dbraw/zinc/98/68/19/569986819.db2.gz CSNOKKAITUZWEA-INIZCTEOSA-N -1 1 458.923 3.711 40 0 JHABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1[N-]S(C)(=O)=O ZINC000225470664 569998244 /nfs/dbraw/zinc/99/82/44/569998244.db2.gz PGVKVCLWAXGYEK-UXHICEINSA-N -1 1 458.565 3.540 40 0 JHABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1[N-]S(C)(=O)=O ZINC000225477680 569998692 /nfs/dbraw/zinc/99/86/92/569998692.db2.gz WQZAVAKZIQOHLU-FCHUYYIVSA-N -1 1 485.635 3.594 40 0 JHABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)cc2)cc1 ZINC000408694554 570017013 /nfs/dbraw/zinc/01/70/13/570017013.db2.gz KFYWASLBOVEVCR-UHFFFAOYSA-N -1 1 480.539 3.835 40 0 JHABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257201713 570108299 /nfs/dbraw/zinc/10/82/99/570108299.db2.gz AISULTPPXWXSLS-FQEVSTJZSA-N -1 1 454.914 3.503 40 0 JHABMM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(CC(=O)N(CC(=O)[O-])c4ccccc4)C[C@H]3C[C@@H]21 ZINC000257231106 570117405 /nfs/dbraw/zinc/11/74/05/570117405.db2.gz GFGKFXRFOJEHCH-IBBRUMHXSA-N -1 1 464.562 3.744 40 0 JHABMM COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c([O-])c(Br)c2Br)C1=O ZINC000409112633 570132779 /nfs/dbraw/zinc/13/27/79/570132779.db2.gz FRWVBASBDYAFKM-KCXGFMAWSA-N -1 1 495.145 3.524 40 0 JHABMM O=C(OC1=C([O-])N(c2ccccc2Br)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409297500 570195854 /nfs/dbraw/zinc/19/58/54/570195854.db2.gz LJLWBBLAJMZDNV-BGYRXZFFSA-N -1 1 494.297 3.774 40 0 JHABMM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408554871 570196556 /nfs/dbraw/zinc/19/65/56/570196556.db2.gz DSDGMALFVKXWSJ-UHFFFAOYSA-N -1 1 461.367 3.716 40 0 JHABMM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000408582837 570207185 /nfs/dbraw/zinc/20/71/85/570207185.db2.gz FKGNGNDDEASVNJ-UHFFFAOYSA-N -1 1 473.336 3.870 40 0 JHABMM