smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000622865 193857001 /nfs/dbraw/zinc/85/70/01/193857001.db2.gz JILDPVKNOZHPEN-MFUBYVTQSA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000622867 551502911 /nfs/dbraw/zinc/50/29/11/551502911.db2.gz JILDPVKNOZHPEN-RWTNITNYSA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000622870 551502913 /nfs/dbraw/zinc/50/29/13/551502913.db2.gz XTHWBTWOSZFXSQ-YMSBRDKKSA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000622872 551502917 /nfs/dbraw/zinc/50/29/17/551502917.db2.gz XTHWBTWOSZFXSQ-IGSWSUAKSA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000000623862 551503183 /nfs/dbraw/zinc/50/31/83/551503183.db2.gz NIXGMQSLNNQCRH-CVGPFBNFSA-N 0 0 520.563 2.510 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000000623865 551503213 /nfs/dbraw/zinc/50/32/13/551503213.db2.gz NIXGMQSLNNQCRH-LJJBLSSYSA-N 0 0 520.563 2.510 50 0 KFAARN Cc1c(-n2c(-c3ccc(Br)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)c(=O)n(-c2ccccc2)n1C ZINC000000624196 551503397 /nfs/dbraw/zinc/50/33/97/551503397.db2.gz MKPJLYBKIZFANQ-UHFFFAOYSA-N 0 0 560.412 2.903 50 0 biogenic KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1 ZINC000000625767 551503736 /nfs/dbraw/zinc/50/37/36/551503736.db2.gz CXQYWKSHDOTWCM-MFUBYVTQSA-N 0 0 520.563 2.649 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1 ZINC000000625769 551503763 /nfs/dbraw/zinc/50/37/63/551503763.db2.gz CXQYWKSHDOTWCM-RWTNITNYSA-N 0 0 520.563 2.649 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000000625770 551503780 /nfs/dbraw/zinc/50/37/80/551503780.db2.gz BRPGXOOVRBWRMI-YMSBRDKKSA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000000625771 551503768 /nfs/dbraw/zinc/50/37/68/551503768.db2.gz BRPGXOOVRBWRMI-IGSWSUAKSA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000000625796 551503684 /nfs/dbraw/zinc/50/36/84/551503684.db2.gz SNXDCLCESYASEZ-YMSBRDKKSA-N 0 0 520.563 2.649 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000000625797 551503762 /nfs/dbraw/zinc/50/37/62/551503762.db2.gz SNXDCLCESYASEZ-IGSWSUAKSA-N 0 0 520.563 2.649 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000627810 193858075 /nfs/dbraw/zinc/85/80/75/193858075.db2.gz IWZNBSOKVWMWKF-YMSBRDKKSA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000627813 551503986 /nfs/dbraw/zinc/50/39/86/551503986.db2.gz IWZNBSOKVWMWKF-IGSWSUAKSA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000628811 551504568 /nfs/dbraw/zinc/50/45/68/551504568.db2.gz JWUXXVDOKRZOOI-CVGPFBNFSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000628813 551504559 /nfs/dbraw/zinc/50/45/59/551504559.db2.gz JWUXXVDOKRZOOI-LJJBLSSYSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000630909 551505053 /nfs/dbraw/zinc/50/50/53/551505053.db2.gz UXNOBMGWMBAJDM-CVGPFBNFSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000630911 551505031 /nfs/dbraw/zinc/50/50/31/551505031.db2.gz UXNOBMGWMBAJDM-LJJBLSSYSA-N 0 0 524.595 2.833 50 0 KFAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O ZINC000000631570 551505451 /nfs/dbraw/zinc/50/54/51/551505451.db2.gz DFBYMTKLXUTLPY-MGSPXPDISA-N 0 0 522.579 2.741 50 0 KFAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O ZINC000000631573 551505465 /nfs/dbraw/zinc/50/54/65/551505465.db2.gz DFBYMTKLXUTLPY-XPCGLTFESA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000631661 193859761 /nfs/dbraw/zinc/85/97/61/193859761.db2.gz VBLLVOGFTHHTCY-YOURIZNBSA-N 0 0 508.552 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000631663 193859786 /nfs/dbraw/zinc/85/97/86/193859786.db2.gz VBLLVOGFTHHTCY-GSOQPGDSSA-N 0 0 508.552 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000631668 193859904 /nfs/dbraw/zinc/85/99/04/193859904.db2.gz DQXUTWTXGXUFON-MFUBYVTQSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000631669 551505399 /nfs/dbraw/zinc/50/53/99/551505399.db2.gz DQXUTWTXGXUFON-RWTNITNYSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000631670 551505453 /nfs/dbraw/zinc/50/54/53/551505453.db2.gz ZUDAFFYMDWQVBX-PLQXQRLBSA-N 0 0 552.605 2.749 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000631672 551505448 /nfs/dbraw/zinc/50/54/48/551505448.db2.gz ZUDAFFYMDWQVBX-VVNKCDPRSA-N 0 0 552.605 2.749 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000000631735 193859909 /nfs/dbraw/zinc/85/99/09/193859909.db2.gz YEDDRVSWFYTLGB-PGGUJSHWSA-N 0 0 509.584 2.966 50 0 KFAARN Cn1c2nc(SCc3cccc(Br)c3)n(C[C@@H](O)COc3ccccc3)c2c(=O)[nH]c1=O ZINC000000632681 193860161 /nfs/dbraw/zinc/86/01/61/193860161.db2.gz DDMMYGWTUDYRNI-MRXNPFEDSA-N 0 0 517.405 2.918 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000000633295 551505685 /nfs/dbraw/zinc/50/56/85/551505685.db2.gz LELQLBCFQCBZKB-GSOQPGDSSA-N 0 0 540.981 2.912 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000000633297 551505651 /nfs/dbraw/zinc/50/56/51/551505651.db2.gz LELQLBCFQCBZKB-YOURIZNBSA-N 0 0 540.981 2.912 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3OC)c(=O)n2[C@H]1c1cccs1 ZINC000000634476 551505872 /nfs/dbraw/zinc/50/58/72/551505872.db2.gz IAZLRWOKJOUXIZ-RZXXJPOTSA-N 0 0 500.598 2.886 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3OC)c(=O)n2[C@@H]1c1cccs1 ZINC000000634479 551505910 /nfs/dbraw/zinc/50/59/10/551505910.db2.gz IAZLRWOKJOUXIZ-XQJRBFNUSA-N 0 0 500.598 2.886 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000000635021 193860937 /nfs/dbraw/zinc/86/09/37/193860937.db2.gz AWUJQOHTFHUCKE-SQWSFHKJSA-N 0 0 500.598 2.886 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000000635024 551505852 /nfs/dbraw/zinc/50/58/52/551505852.db2.gz AWUJQOHTFHUCKE-JKALPCAWSA-N 0 0 500.598 2.886 50 0 KFAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\c5ccccc5N(C)C4=O)c(=O)n32)cc1 ZINC000000635385 551505815 /nfs/dbraw/zinc/50/58/15/551505815.db2.gz XPRAACWAOFQVAJ-HOGKFDNTSA-N 0 0 503.580 2.542 50 0 KFAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\c5ccccc5N(C)C4=O)c(=O)n32)cc1 ZINC000000635386 551506145 /nfs/dbraw/zinc/50/61/45/551506145.db2.gz XPRAACWAOFQVAJ-MOBKVPTQSA-N 0 0 503.580 2.542 50 0 KFAARN CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000000635488 551506055 /nfs/dbraw/zinc/50/60/55/551506055.db2.gz QGIQMSXODMZKCL-ZHHPLPSFSA-N 0 0 517.607 2.932 50 0 KFAARN CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000000635489 551506137 /nfs/dbraw/zinc/50/61/37/551506137.db2.gz QGIQMSXODMZKCL-AYWGPLOBSA-N 0 0 517.607 2.932 50 0 KFAARN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000636448 551506373 /nfs/dbraw/zinc/50/63/73/551506373.db2.gz VUKQEGPDEHEOBJ-UHFFFAOYSA-N 0 0 545.639 2.550 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000000639022 551506832 /nfs/dbraw/zinc/50/68/32/551506832.db2.gz BLZOXONTWBENEK-UHFFFAOYSA-N 0 0 591.777 2.998 50 0 KFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)c3)c2)C[C@@H](C)O1 ZINC000000645211 193862884 /nfs/dbraw/zinc/86/28/84/193862884.db2.gz VAWUKJGDIPVWIK-WTGUMLROSA-N 0 0 536.672 2.513 50 0 KFAARN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000000645957 551507644 /nfs/dbraw/zinc/50/76/44/551507644.db2.gz NAGBEWWMGPIYQK-UHFFFAOYSA-N 0 0 559.666 2.940 50 0 KFAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2F)cc1 ZINC000000645977 193863256 /nfs/dbraw/zinc/86/32/56/193863256.db2.gz NLROOASIFMJPEJ-UHFFFAOYSA-N 0 0 547.630 2.989 50 0 KFAARN CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000000645983 193863207 /nfs/dbraw/zinc/86/32/07/193863207.db2.gz LQPUVNFFCPMYOL-UHFFFAOYSA-N 0 0 505.593 2.508 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000653510 551513207 /nfs/dbraw/zinc/51/32/07/551513207.db2.gz XVQQQOSLQDTLEZ-YMSBRDKKSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000653513 551513122 /nfs/dbraw/zinc/51/31/22/551513122.db2.gz XVQQQOSLQDTLEZ-IGSWSUAKSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000000653608 551513143 /nfs/dbraw/zinc/51/31/43/551513143.db2.gz VEQXUCKLVOXPPF-GSOQPGDSSA-N 0 0 508.552 2.631 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000000653614 551513162 /nfs/dbraw/zinc/51/31/62/551513162.db2.gz VEQXUCKLVOXPPF-YOURIZNBSA-N 0 0 508.552 2.631 50 0 KFAARN CCOc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000654082 551513450 /nfs/dbraw/zinc/51/34/50/551513450.db2.gz RDHVUILTSPKYAV-QHCPKHFHSA-N 0 0 529.640 2.788 50 0 KFAARN CCOC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000654121 551513439 /nfs/dbraw/zinc/51/34/39/551513439.db2.gz JBGWVPBVZRYGKV-DEOSSOPVSA-N 0 0 557.650 2.566 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000000654162 551513397 /nfs/dbraw/zinc/51/33/97/551513397.db2.gz XZSVQAFYKMVYBJ-DEOSSOPVSA-N 0 0 557.650 2.566 50 0 KFAARN COc1ccc(C)cc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000656059 551513926 /nfs/dbraw/zinc/51/39/26/551513926.db2.gz VMXACHDCWSGPBQ-HSZRJFAPSA-N 0 0 529.640 2.706 50 0 KFAARN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000656157 551513891 /nfs/dbraw/zinc/51/38/91/551513891.db2.gz PWIKBLUZOKZBRX-UHFFFAOYSA-N 0 0 529.640 2.850 50 0 KFAARN CCOC(=O)N1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000000656234 551514022 /nfs/dbraw/zinc/51/40/22/551514022.db2.gz NIIXRYKFXJZAMI-UHFFFAOYSA-N 0 0 505.593 2.508 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000000657057 551513994 /nfs/dbraw/zinc/51/39/94/551513994.db2.gz BSJMVSVTJFIJRT-JUTHHCEFSA-N 0 0 508.552 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000000657060 551514058 /nfs/dbraw/zinc/51/40/58/551514058.db2.gz BSJMVSVTJFIJRT-VVOOWDFBSA-N 0 0 508.552 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000657124 551514316 /nfs/dbraw/zinc/51/43/16/551514316.db2.gz CNJMPIHGCHPINK-RWTNITNYSA-N 0 0 524.595 2.920 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000657129 551514339 /nfs/dbraw/zinc/51/43/39/551514339.db2.gz CNJMPIHGCHPINK-MFUBYVTQSA-N 0 0 524.595 2.920 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000000660637 1059452449 /nfs/dbraw/zinc/45/24/49/1059452449.db2.gz DQDZHQJKBZKJMZ-VVNKCDPRSA-N 0 0 536.606 2.975 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000000660640 1059452363 /nfs/dbraw/zinc/45/23/63/1059452363.db2.gz DQDZHQJKBZKJMZ-PLQXQRLBSA-N 0 0 536.606 2.975 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000000660644 551515975 /nfs/dbraw/zinc/51/59/75/551515975.db2.gz SKWGHHGQASSRGT-QJWUKVPRSA-N 0 0 522.579 2.933 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000000660648 551516061 /nfs/dbraw/zinc/51/60/61/551516061.db2.gz SKWGHHGQASSRGT-ZYDFGXJWSA-N 0 0 522.579 2.933 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000000665446 551517011 /nfs/dbraw/zinc/51/70/11/551517011.db2.gz BIFPIFLIZPBHNY-YMSBRDKKSA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000000665449 551517006 /nfs/dbraw/zinc/51/70/06/551517006.db2.gz BIFPIFLIZPBHNY-IGSWSUAKSA-N 0 0 522.579 2.741 50 0 KFAARN CCc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000666129 551517463 /nfs/dbraw/zinc/51/74/63/551517463.db2.gz KQZZUPMVMNVPKO-DEOSSOPVSA-N 0 0 513.641 2.952 50 0 KFAARN CCOc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000000666131 551517487 /nfs/dbraw/zinc/51/74/87/551517487.db2.gz OBLFGRXGYPLMRA-DEOSSOPVSA-N 0 0 529.640 2.788 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000000669396 551518612 /nfs/dbraw/zinc/51/86/12/551518612.db2.gz QBQKMBMFARMZOR-DJAVKIJBSA-N 0 0 514.003 2.881 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000000669400 551518646 /nfs/dbraw/zinc/51/86/46/551518646.db2.gz QBQKMBMFARMZOR-PZNLSKEWSA-N 0 0 514.003 2.881 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000000669419 551518623 /nfs/dbraw/zinc/51/86/23/551518623.db2.gz DOVWSTJUAWABGU-RTWFUWSXSA-N 0 0 523.611 2.627 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000000669422 551518628 /nfs/dbraw/zinc/51/86/28/551518628.db2.gz DOVWSTJUAWABGU-OFVJEAJMSA-N 0 0 523.611 2.627 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000000677724 551522206 /nfs/dbraw/zinc/52/22/06/551522206.db2.gz ZSHHLARRPAIYET-ZRELAVNMSA-N 0 0 512.971 2.996 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000000677727 551522153 /nfs/dbraw/zinc/52/21/53/551522153.db2.gz ZSHHLARRPAIYET-AFHVAHMMSA-N 0 0 512.971 2.996 50 0 KFAARN Cn1c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000000677971 551522239 /nfs/dbraw/zinc/52/22/39/551522239.db2.gz CLVNJCCVUGHTTK-UHFFFAOYSA-N 0 0 513.963 2.595 50 0 biogenic KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000000680292 551523789 /nfs/dbraw/zinc/52/37/89/551523789.db2.gz LCBCLAOKKZZQCE-MFUBYVTQSA-N 0 0 522.579 2.587 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000000680294 551524076 /nfs/dbraw/zinc/52/40/76/551524076.db2.gz LCBCLAOKKZZQCE-RWTNITNYSA-N 0 0 522.579 2.587 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000000680797 551524275 /nfs/dbraw/zinc/52/42/75/551524275.db2.gz MFPAKNRWUVZZMK-CBIIRDDDSA-N 0 0 588.480 2.999 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000000680799 551524303 /nfs/dbraw/zinc/52/43/03/551524303.db2.gz MFPAKNRWUVZZMK-QFXXMJIKSA-N 0 0 588.480 2.999 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000000693897 551527734 /nfs/dbraw/zinc/52/77/34/551527734.db2.gz YJDDAIUZWPNVSN-ZYDFGXJWSA-N 0 0 522.579 2.853 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000000693900 551527730 /nfs/dbraw/zinc/52/77/30/551527730.db2.gz YJDDAIUZWPNVSN-QJWUKVPRSA-N 0 0 522.579 2.853 50 0 KFAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000000703672 551530998 /nfs/dbraw/zinc/53/09/98/551530998.db2.gz DDRUIQJRPPUKBI-UHFFFAOYSA-N 0 0 524.256 2.907 50 0 in-vitro KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000000706685 551531329 /nfs/dbraw/zinc/53/13/29/551531329.db2.gz OLHWOCDKJXJGIT-YOURIZNBSA-N 0 0 508.552 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000000706687 551531293 /nfs/dbraw/zinc/53/12/93/551531293.db2.gz OLHWOCDKJXJGIT-GSOQPGDSSA-N 0 0 508.552 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000000707828 551531905 /nfs/dbraw/zinc/53/19/05/551531905.db2.gz QOILFRKAJBWDCB-YOURIZNBSA-N 0 0 508.552 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000000707830 551531808 /nfs/dbraw/zinc/53/18/08/551531808.db2.gz QOILFRKAJBWDCB-GSOQPGDSSA-N 0 0 508.552 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000000708128 551532104 /nfs/dbraw/zinc/53/21/04/551532104.db2.gz KZXLORUJJKHBRI-LYRGBEMXSA-N 0 0 524.595 2.920 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000000708129 551532180 /nfs/dbraw/zinc/53/21/80/551532180.db2.gz KZXLORUJJKHBRI-RWTNITNYSA-N 0 0 524.595 2.920 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000000708130 551532074 /nfs/dbraw/zinc/53/20/74/551532074.db2.gz KZXLORUJJKHBRI-JGTYQCAFSA-N 0 0 524.595 2.920 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000000708131 551532172 /nfs/dbraw/zinc/53/21/72/551532172.db2.gz KZXLORUJJKHBRI-MFUBYVTQSA-N 0 0 524.595 2.920 50 0 KFAARN COc1ccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1S(=O)(=O)N1CCOCC1 ZINC000000713004 551533662 /nfs/dbraw/zinc/53/36/62/551533662.db2.gz BRBSFDKOARCDTJ-UHFFFAOYSA-N 0 0 508.556 2.978 50 0 KFAARN O=C1c2c(c(Br)c(Br)c(Br)c2Br)C(=O)N1c1c[nH]c(=O)[nH]c1=O ZINC000000713493 551533608 /nfs/dbraw/zinc/53/36/08/551533608.db2.gz FYOQZRTVNTVPOB-UHFFFAOYSA-N 0 0 572.789 2.914 50 0 KFAARN CCOc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)cc1OCC ZINC000000718627 551535534 /nfs/dbraw/zinc/53/55/34/551535534.db2.gz KXOYJLNURFVDTH-UHFFFAOYSA-N 0 0 569.659 2.870 50 0 KFAARN Cn1c2nc(SCC(=O)NCCc3ccccc3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000000720463 551537129 /nfs/dbraw/zinc/53/71/29/551537129.db2.gz NRHOGANMVGXXMC-UHFFFAOYSA-N 0 0 542.459 2.696 50 0 KFAARN O=S(=O)(c1ccc(OC[C@H](O)CN2CCCCC2)cc1)c1ccc(OC[C@H](O)CN2CCCCC2)cc1 ZINC000000726064 551538441 /nfs/dbraw/zinc/53/84/41/551538441.db2.gz WDDDEGWQAMRTDL-DNQXCXABSA-N 0 0 532.703 2.971 50 0 KFAARN O=S(=O)(c1ccc(OC[C@@H](O)CN2CCCCC2)cc1)c1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000000726068 551538406 /nfs/dbraw/zinc/53/84/06/551538406.db2.gz WDDDEGWQAMRTDL-ZEQRLZLVSA-N 0 0 532.703 2.971 50 0 KFAARN Cc1c(N[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000000727873 551538900 /nfs/dbraw/zinc/53/89/00/551538900.db2.gz ONJBFGPYGJEHQQ-NRFANRHFSA-N 0 0 572.858 2.554 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000728894 551539034 /nfs/dbraw/zinc/53/90/34/551539034.db2.gz MRZDUUHSMSJREB-HOGKFDNTSA-N 0 0 503.580 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000728896 551539084 /nfs/dbraw/zinc/53/90/84/551539084.db2.gz MRZDUUHSMSJREB-MOBKVPTQSA-N 0 0 503.580 2.544 50 0 KFAARN O=c1c2cc3c(=O)n(-c4cc(Br)ccc4O)c(=O)c3cc2c(=O)n1-c1cc(Br)ccc1O ZINC000000820921 551544147 /nfs/dbraw/zinc/54/41/47/551544147.db2.gz BWPCNPARGIOPIP-UHFFFAOYSA-N 0 0 558.138 2.827 50 0 KFAARN CCC(=O)OCCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCOC(=O)CC)C4=O)cc2C1=O ZINC000000828981 551545819 /nfs/dbraw/zinc/54/58/19/551545819.db2.gz USPTZJSSRZOMTE-UHFFFAOYSA-N 0 0 508.483 2.577 50 0 KFAARN Cn1c2nc(SCc3cccc(Br)c3)n(C[C@H](O)COc3ccccc3)c2c(=O)[nH]c1=O ZINC000000829848 551545816 /nfs/dbraw/zinc/54/58/16/551545816.db2.gz DDMMYGWTUDYRNI-INIZCTEOSA-N 0 0 517.405 2.918 50 0 KFAARN C[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000000835553 551546795 /nfs/dbraw/zinc/54/67/95/551546795.db2.gz OQVRADSRCREGMR-GBXCKJPGSA-N 0 0 513.641 2.628 50 0 KFAARN CC(C)C(NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)C(C)C ZINC000000835570 551546776 /nfs/dbraw/zinc/54/67/76/551546776.db2.gz NKLWZMDOGSSGDK-JOCHJYFZSA-N 0 0 507.678 2.547 50 0 KFAARN O=C1c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(Cc3cccnc3)C4=O)cc2C(=O)N1Cc1cccnc1 ZINC000000852570 551549882 /nfs/dbraw/zinc/54/98/82/551549882.db2.gz LDQHZHMCHLGSSV-UHFFFAOYSA-N 0 0 538.541 2.902 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000000861893 551551496 /nfs/dbraw/zinc/55/14/96/551551496.db2.gz RZDCWQQGTDMBOO-YOURIZNBSA-N 0 0 508.552 2.544 50 0 KFAARN COc1cccc([C@@H](C(=O)NCc2ccccc2)N(CCN2CCOCC2)C(=O)Cn2nnc3ccccc32)c1 ZINC000000932002 551584840 /nfs/dbraw/zinc/58/48/40/551584840.db2.gz RERVDYCZBRXIOK-LJAQVGFWSA-N 0 0 542.640 2.658 50 0 KFAARN COc1cccc([C@H](C(=O)NCc2ccccc2)N(CCN2CCOCC2)C(=O)Cn2nnc3ccccc32)c1 ZINC000000932003 551585170 /nfs/dbraw/zinc/58/51/70/551585170.db2.gz RERVDYCZBRXIOK-GDLZYMKVSA-N 0 0 542.640 2.658 50 0 KFAARN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)cc1 ZINC000000933752 551586121 /nfs/dbraw/zinc/58/61/21/551586121.db2.gz KHBCZPQKXRVULX-WOJBJXKFSA-N 0 0 512.625 2.653 50 0 KFAARN Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2cnn(-c3ccccc3)c(=O)c2n1CCCN1CCOCC1 ZINC000000938257 551587609 /nfs/dbraw/zinc/58/76/09/551587609.db2.gz VGDQOSXUPHTIDQ-UHFFFAOYSA-N 0 0 528.034 2.978 50 0 KFAARN CC(=O)c1cccc(N[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)c1 ZINC000000956029 551589880 /nfs/dbraw/zinc/58/98/80/551589880.db2.gz JJCGDYMYRSCXIQ-GOSISDBHSA-N 0 0 504.779 2.958 50 0 KFAARN CC(=O)c1cccc(N[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)c1 ZINC000000956030 551589860 /nfs/dbraw/zinc/58/98/60/551589860.db2.gz JJCGDYMYRSCXIQ-SFHVURJKSA-N 0 0 504.779 2.958 50 0 KFAARN COc1cc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC(C)=C2C(=O)OCc2ccccc2)cc(OC)c1OC ZINC000000959873 551590121 /nfs/dbraw/zinc/59/01/21/551590121.db2.gz JKKLYGGQPCDTDG-OAQYLSRUSA-N 0 0 507.543 2.685 50 0 KFAARN COc1cc([C@@H]2c3c(=O)n(C)c(=O)n(C)c3NC(C)=C2C(=O)OCc2ccccc2)cc(OC)c1OC ZINC000000959874 551590012 /nfs/dbraw/zinc/59/00/12/551590012.db2.gz JKKLYGGQPCDTDG-NRFANRHFSA-N 0 0 507.543 2.685 50 0 KFAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000000980622 551592052 /nfs/dbraw/zinc/59/20/52/551592052.db2.gz WBDOVCLYGHGNKE-ZIIZBSPPSA-N 0 0 551.580 2.987 50 0 KFAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000000980624 551591977 /nfs/dbraw/zinc/59/19/77/551591977.db2.gz WBDOVCLYGHGNKE-HRNPCJQISA-N 0 0 551.580 2.987 50 0 KFAARN COC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC ZINC000000983038 551592287 /nfs/dbraw/zinc/59/22/87/551592287.db2.gz JGVQQLFJSAZAOJ-LZYBPNLTSA-N 0 0 513.366 2.668 50 0 KFAARN Cc1ccc(OC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c(-n2nc3ccccc3n2)c1 ZINC000000986231 551592837 /nfs/dbraw/zinc/59/28/37/551592837.db2.gz CGECLSHKPONOLA-OAQYLSRUSA-N 0 0 518.551 2.734 50 0 KFAARN Cc1ccc(OC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c(-n2nc3ccccc3n2)c1 ZINC000000986232 551592820 /nfs/dbraw/zinc/59/28/20/551592820.db2.gz CGECLSHKPONOLA-NRFANRHFSA-N 0 0 518.551 2.734 50 0 KFAARN Nc1nc(N)nc(N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)n1 ZINC000000988735 551593071 /nfs/dbraw/zinc/59/30/71/551593071.db2.gz TXRPTDASJHZNGZ-UHFFFAOYSA-N 0 0 571.809 2.887 50 0 KFAARN CCOC(=O)CC1=C(C(=O)OCC)[C@]2(c3ccccc3NC2=O)C(C(=O)OCc2ccccc2)=C(N)O1 ZINC000000989366 551593233 /nfs/dbraw/zinc/59/32/33/551593233.db2.gz QFPDVUSXTMCLDE-HHHXNRCGSA-N 0 0 506.511 2.591 50 0 biogenic KFAARN CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(c3ccccc3NC2=O)C(C(=O)OCc2ccccc2)=C(N)O1 ZINC000000989367 551593176 /nfs/dbraw/zinc/59/31/76/551593176.db2.gz QFPDVUSXTMCLDE-MHZLTWQESA-N 0 0 506.511 2.591 50 0 biogenic KFAARN O=C(COC(=O)c1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1)c1ccccc1 ZINC000000990811 551593800 /nfs/dbraw/zinc/59/38/00/551593800.db2.gz IRNSMYHBTBLZDC-UHFFFAOYSA-N 0 0 529.592 2.580 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000000997663 551594878 /nfs/dbraw/zinc/59/48/78/551594878.db2.gz TZLGWYKNUITBDC-JUTHHCEFSA-N 0 0 510.568 2.530 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000000997665 551594891 /nfs/dbraw/zinc/59/48/91/551594891.db2.gz TZLGWYKNUITBDC-VVOOWDFBSA-N 0 0 510.568 2.530 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000001013442 551596718 /nfs/dbraw/zinc/59/67/18/551596718.db2.gz YEDDRVSWFYTLGB-CEMPLAKHSA-N 0 0 509.584 2.966 50 0 KFAARN O=C(CS(=O)(=O)Nc1ccc(Br)cc1)CS(=O)(=O)Nc1ccc(Br)cc1 ZINC000001024264 551597512 /nfs/dbraw/zinc/59/75/12/551597512.db2.gz SGEODSFPVAIQJW-UHFFFAOYSA-N 0 0 526.228 2.964 50 0 KFAARN CC12CN(S(=O)(=O)c3ccccc3)CC(c3ccccc3)(CN(S(=O)(=O)c3ccccc3)C1)C2=O ZINC000001051634 551600040 /nfs/dbraw/zinc/60/00/40/551600040.db2.gz BIZHCIKBOZAHNI-UHFFFAOYSA-N 0 0 510.637 2.909 50 0 KFAARN COc1ccc(/C=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)cc1 ZINC000001065550 551602008 /nfs/dbraw/zinc/60/20/08/551602008.db2.gz MMGMNUOTXKHGRH-KVXMRIRUSA-N 0 0 511.607 2.627 50 0 KFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000001066176 551602011 /nfs/dbraw/zinc/60/20/11/551602011.db2.gz DIFHFQKTSULUIU-UHFFFAOYSA-N 0 0 501.355 2.512 50 0 KFAARN O=C(CSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1)N1CCOCC1 ZINC000001068812 551602496 /nfs/dbraw/zinc/60/24/96/551602496.db2.gz QIKPMQOROZPULY-UHFFFAOYSA-N 0 0 507.353 2.941 50 0 KFAARN COC(=O)COc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)c3ccccc3c2=O)cc1 ZINC000001070686 551602947 /nfs/dbraw/zinc/60/29/47/551602947.db2.gz SGMJIZYRHACURM-UHFFFAOYSA-N 0 0 564.620 2.813 50 0 KFAARN COc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Br)c2)cc1OC ZINC000001071203 551602895 /nfs/dbraw/zinc/60/28/95/551602895.db2.gz IPVKAKNLJYZLBN-UHFFFAOYSA-N 0 0 528.407 2.916 50 0 biogenic KFAARN COc1ccc(CCNC(=O)CSc2nnnn2-c2ccc(I)cc2)cc1OC ZINC000001076472 551604358 /nfs/dbraw/zinc/60/43/58/551604358.db2.gz YUUITGWLVHWPTG-UHFFFAOYSA-N 0 0 525.372 2.735 50 0 KFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(I)cc2)N(NC(=O)c2ccccc2)C1=S ZINC000001078077 551605149 /nfs/dbraw/zinc/60/51/49/551605149.db2.gz CJHHUKDNIHTVRA-MRXNPFEDSA-N 0 0 522.368 2.782 50 0 KFAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(I)cc2)N(NC(=O)c2ccccc2)C1=S ZINC000001078079 551605177 /nfs/dbraw/zinc/60/51/77/551605177.db2.gz CJHHUKDNIHTVRA-INIZCTEOSA-N 0 0 522.368 2.782 50 0 KFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(I)cc2)N(NC(=O)c2cccc(F)c2)C1=S ZINC000001078081 551605130 /nfs/dbraw/zinc/60/51/30/551605130.db2.gz MWGKKXNGRPAZTA-MRXNPFEDSA-N 0 0 540.358 2.922 50 0 KFAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(I)cc2)N(NC(=O)c2cccc(F)c2)C1=S ZINC000001078082 551605138 /nfs/dbraw/zinc/60/51/38/551605138.db2.gz MWGKKXNGRPAZTA-INIZCTEOSA-N 0 0 540.358 2.922 50 0 KFAARN COC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cc1 ZINC000001080855 551605927 /nfs/dbraw/zinc/60/59/27/551605927.db2.gz LUKDDARFPPJGRM-UHFFFAOYSA-N 0 0 527.990 2.653 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000001089809 551607068 /nfs/dbraw/zinc/60/70/68/551607068.db2.gz TZBMUWGBAFFZHK-MFUBYVTQSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000001089811 551607007 /nfs/dbraw/zinc/60/70/07/551607007.db2.gz TZBMUWGBAFFZHK-RWTNITNYSA-N 0 0 524.595 2.833 50 0 KFAARN COC(=O)c1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)c(C(=O)OC)c3)CC2)ccc1Cl ZINC000001097716 551607896 /nfs/dbraw/zinc/60/78/96/551607896.db2.gz NAJUUFXHASHPTG-UHFFFAOYSA-N 0 0 565.453 2.652 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccccc1OC ZINC000001103781 551609103 /nfs/dbraw/zinc/60/91/03/551609103.db2.gz SYAXXAMPJGGDMZ-HOGKFDNTSA-N 0 0 503.580 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccccc1OC ZINC000001103783 551609132 /nfs/dbraw/zinc/60/91/32/551609132.db2.gz SYAXXAMPJGGDMZ-MOBKVPTQSA-N 0 0 503.580 2.544 50 0 KFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1 ZINC000001104524 551609501 /nfs/dbraw/zinc/60/95/01/551609501.db2.gz MPRAVKYMAYKMSY-UHFFFAOYSA-N 0 0 530.628 2.692 50 0 KFAARN CCOc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000001105291 551609884 /nfs/dbraw/zinc/60/98/84/551609884.db2.gz PRJBAKNRODMVPF-HUUCEWRRSA-N 0 0 501.443 2.870 50 0 KFAARN CCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000001105292 551609914 /nfs/dbraw/zinc/60/99/14/551609914.db2.gz PRJBAKNRODMVPF-GJZGRUSLSA-N 0 0 501.443 2.870 50 0 KFAARN COc1ccc([C@H]2C(c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000001105820 551610182 /nfs/dbraw/zinc/61/01/82/551610182.db2.gz HITLVGXMYNQBMA-DEOSSOPVSA-N 0 0 515.632 2.520 50 0 KFAARN COc1ccc([C@@H]2C(c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000001105821 551610116 /nfs/dbraw/zinc/61/01/16/551610116.db2.gz HITLVGXMYNQBMA-XMMPIXPASA-N 0 0 515.632 2.520 50 0 KFAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000001108716 551610701 /nfs/dbraw/zinc/61/07/01/551610701.db2.gz LFAZRMRZMGVARK-UHFFFAOYSA-N 0 0 527.466 2.666 50 0 KFAARN COc1ccc(OC)c(S(=O)(=O)n2c3ccc(C)cc3n(S(=O)(=O)c3cc(OC)ccc3OC)c2=O)c1 ZINC000001114425 551611676 /nfs/dbraw/zinc/61/16/76/551611676.db2.gz RWRQOHFHGNIRMS-UHFFFAOYSA-N 0 0 548.595 2.620 50 0 KFAARN COc1ccc(OC)c(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)c1 ZINC000001118250 551612290 /nfs/dbraw/zinc/61/22/90/551612290.db2.gz CBIPZPPJWRJULI-UHFFFAOYSA-N 0 0 533.628 2.934 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 ZINC000001118694 551612458 /nfs/dbraw/zinc/61/24/58/551612458.db2.gz WKLCUKPHWQQOHX-UHFFFAOYSA-N 0 0 518.455 2.884 50 0 KFAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O ZINC000001118957 551612532 /nfs/dbraw/zinc/61/25/32/551612532.db2.gz WFGLWFJFKLKCBF-UHFFFAOYSA-N 0 0 502.014 2.538 50 0 KFAARN COC(=O)c1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1C ZINC000001119890 551612781 /nfs/dbraw/zinc/61/27/81/551612781.db2.gz JIUCLXWMVXFTFS-UHFFFAOYSA-N 0 0 502.330 2.791 50 0 KFAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 ZINC000001119960 551612786 /nfs/dbraw/zinc/61/27/86/551612786.db2.gz QNVHXUUWLZSTSS-UHFFFAOYSA-N 0 0 500.504 2.837 50 0 KFAARN CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc(Br)c1OCC(N)=O ZINC000001123391 551613511 /nfs/dbraw/zinc/61/35/11/551613511.db2.gz OEQWMGYHQISGKY-FQEVSTJZSA-N 0 0 533.448 2.821 50 0 KFAARN CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc(Br)c1OCC(N)=O ZINC000001123395 551613478 /nfs/dbraw/zinc/61/34/78/551613478.db2.gz OEQWMGYHQISGKY-HXUWFJFHSA-N 0 0 533.448 2.821 50 0 KFAARN CCCC1=C(C(=O)OCC)[C@@H](c2cc(I)c(OCC(N)=O)c(OCC)c2)NC(=O)N1 ZINC000001123581 551613786 /nfs/dbraw/zinc/61/37/86/551613786.db2.gz JWUHGQFXTAAFRU-QGZVFWFLSA-N 0 0 531.347 2.525 50 0 KFAARN CCCC1=C(C(=O)OCC)[C@H](c2cc(I)c(OCC(N)=O)c(OCC)c2)NC(=O)N1 ZINC000001123582 551613808 /nfs/dbraw/zinc/61/38/08/551613808.db2.gz JWUHGQFXTAAFRU-KRWDZBQOSA-N 0 0 531.347 2.525 50 0 KFAARN CCCC1=NC(=S)N[C@H](c2cc(I)c(OCC(N)=O)c(OCC)c2)C1C(=O)OCC ZINC000001126855 551614279 /nfs/dbraw/zinc/61/42/79/551614279.db2.gz IGEQAIAGHVLKPM-QGZVFWFLSA-N 0 0 547.415 2.690 50 0 KFAARN CCCC1=NC(=S)N[C@@H](c2cc(I)c(OCC(N)=O)c(OCC)c2)C1C(=O)OCC ZINC000001126857 551614303 /nfs/dbraw/zinc/61/43/03/551614303.db2.gz IGEQAIAGHVLKPM-KRWDZBQOSA-N 0 0 547.415 2.690 50 0 KFAARN COc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Br)cc1OC ZINC000001127188 551614298 /nfs/dbraw/zinc/61/42/98/551614298.db2.gz KVTZNYSCLOKJRZ-UHFFFAOYSA-N 0 0 528.407 2.916 50 0 KFAARN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Br)c1 ZINC000001127563 551614487 /nfs/dbraw/zinc/61/44/87/551614487.db2.gz DTERKUHQCIOQNU-UHFFFAOYSA-N 0 0 528.450 2.670 50 0 KFAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1C ZINC000001127649 551614408 /nfs/dbraw/zinc/61/44/08/551614408.db2.gz LYTSDSZVEQDZRW-UHFFFAOYSA-N 0 0 520.615 2.650 50 0 KFAARN O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 ZINC000001128519 551614848 /nfs/dbraw/zinc/61/48/48/551614848.db2.gz PFYFERFANBZHTO-QGZVFWFLSA-N 0 0 500.358 2.782 50 0 KFAARN O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 ZINC000001128521 551614838 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0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001809217 551705298 /nfs/dbraw/zinc/70/52/98/551705298.db2.gz PUWJMKNYVGZTEJ-FEYWKWKCSA-N 0 0 555.568 2.567 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3/C(=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)C2=O)cc1 ZINC000001815733 1059426448 /nfs/dbraw/zinc/42/64/48/1059426448.db2.gz QWBJMGWKXZDKBR-BFQBXFRASA-N 0 0 585.685 2.607 50 0 KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001821241 551708799 /nfs/dbraw/zinc/70/87/99/551708799.db2.gz MCXKWGGAXPWJRK-ZCCPQQFYSA-N 0 0 599.621 2.584 50 0 KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001821243 551708764 /nfs/dbraw/zinc/70/87/64/551708764.db2.gz MCXKWGGAXPWJRK-ULWNEYHBSA-N 0 0 599.621 2.584 50 0 KFAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(Cl)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1 ZINC000001823139 551709088 /nfs/dbraw/zinc/70/90/88/551709088.db2.gz WGGVEIMYEKAPFE-FSEPTYSPSA-N 0 0 531.417 2.857 50 0 KFAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(Cl)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000001823141 551709070 /nfs/dbraw/zinc/70/90/70/551709070.db2.gz WGGVEIMYEKAPFE-XUDLPTGHSA-N 0 0 531.417 2.857 50 0 KFAARN Cc1ccnc(SCCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000001838962 551713326 /nfs/dbraw/zinc/71/33/26/551713326.db2.gz NVWLMCPORMKMSZ-UHFFFAOYSA-N 0 0 527.054 2.684 50 0 KFAARN O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000001854197 551716015 /nfs/dbraw/zinc/71/60/15/551716015.db2.gz FIEUJDURIJJHOP-SFHVURJKSA-N 0 0 535.287 2.521 50 0 KFAARN O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000001854199 551716213 /nfs/dbraw/zinc/71/62/13/551716213.db2.gz FIEUJDURIJJHOP-GOSISDBHSA-N 0 0 535.287 2.521 50 0 KFAARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3cccc([N+](=O)[O-])c3)N3C=CC(C#N)=C[C@@H]23)C1O ZINC000001858637 551716715 /nfs/dbraw/zinc/71/67/15/551716715.db2.gz WPJSCVOHMKPYEI-QESAQDPVSA-N 0 0 515.438 2.530 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001867873 551718323 /nfs/dbraw/zinc/71/83/23/551718323.db2.gz DLSPLPMEQWNOHK-MYXKAAJQSA-N 0 0 569.595 2.957 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001867875 551718349 /nfs/dbraw/zinc/71/83/49/551718349.db2.gz DLSPLPMEQWNOHK-QQYUXEJHSA-N 0 0 569.595 2.957 50 0 KFAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000001872531 551720106 /nfs/dbraw/zinc/72/01/06/551720106.db2.gz ZEUWLUHXIKAQMU-UHFFFAOYSA-N 0 0 562.415 2.633 50 0 KFAARN Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C(=O)N3)cc1 ZINC000001876431 551722521 /nfs/dbraw/zinc/72/25/21/551722521.db2.gz SAILKJJQHAONFU-FQEVSTJZSA-N 0 0 512.366 2.993 50 0 KFAARN Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C(=O)N3)cc1 ZINC000001876432 551722498 /nfs/dbraw/zinc/72/24/98/551722498.db2.gz SAILKJJQHAONFU-HXUWFJFHSA-N 0 0 512.366 2.993 50 0 KFAARN CCOC(=O)C1=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(OCC)cc1 ZINC000001876603 551722684 /nfs/dbraw/zinc/72/26/84/551722684.db2.gz DCNXZKCPYZNVOG-RJYQMNAMSA-N 0 0 564.660 2.738 50 0 KFAARN CCOC(=O)C1=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(OCC)cc1 ZINC000001876605 551722676 /nfs/dbraw/zinc/72/26/76/551722676.db2.gz DCNXZKCPYZNVOG-IYTCMIDZSA-N 0 0 564.660 2.738 50 0 KFAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=C(C(=O)OCC)[C@H]1c1ccc(OC)cc1 ZINC000001877130 551723257 /nfs/dbraw/zinc/72/32/57/551723257.db2.gz PUAIDDPWFHCECU-RJYQMNAMSA-N 0 0 564.660 2.738 50 0 KFAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=C(C(=O)OCC)[C@@H]1c1ccc(OC)cc1 ZINC000001877132 551723160 /nfs/dbraw/zinc/72/31/60/551723160.db2.gz PUAIDDPWFHCECU-IYTCMIDZSA-N 0 0 564.660 2.738 50 0 KFAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3F)sc2=C(C(=O)OC(C)C)[C@H]1c1ccccc1F ZINC000001883831 551724890 /nfs/dbraw/zinc/72/48/90/551724890.db2.gz QFMINWHYGKZMRD-DTBYZMGXSA-N 0 0 526.561 2.607 50 0 KFAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3F)sc2=C(C(=O)OC(C)C)[C@@H]1c1ccccc1F ZINC000001883835 551724843 /nfs/dbraw/zinc/72/48/43/551724843.db2.gz QFMINWHYGKZMRD-QRRJMBGHSA-N 0 0 526.561 2.607 50 0 KFAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(C)C4=O)c(=O)n32)cc1 ZINC000001896282 551728074 /nfs/dbraw/zinc/72/80/74/551728074.db2.gz XPRAACWAOFQVAJ-RKKARLDVSA-N 0 0 503.580 2.542 50 0 KFAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(C)C4=O)c(=O)n32)cc1 ZINC000001896288 551728108 /nfs/dbraw/zinc/72/81/08/551728108.db2.gz XPRAACWAOFQVAJ-VFJWVMJUSA-N 0 0 503.580 2.542 50 0 KFAARN COC(=O)C1=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1c(F)cccc1Cl ZINC000001896994 551728613 /nfs/dbraw/zinc/72/86/13/551728613.db2.gz KCFYMYKXPRWYRB-BAPRJRNISA-N 0 0 553.370 2.745 50 0 KFAARN COC(=O)C1=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1c(F)cccc1Cl ZINC000001896996 551728624 /nfs/dbraw/zinc/72/86/24/551728624.db2.gz KCFYMYKXPRWYRB-KAKTVLCNSA-N 0 0 553.370 2.745 50 0 KFAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(OC)c3)sc2=C(C(=O)OCC)[C@H]1c1cccc(OC)c1 ZINC000001897029 551728633 /nfs/dbraw/zinc/72/86/33/551728633.db2.gz SUSGGWHDDQSVSR-AEUZFIIDSA-N 0 0 564.660 2.738 50 0 KFAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(OC)c3)sc2=C(C(=O)OCC)[C@@H]1c1cccc(OC)c1 ZINC000001897031 551728631 /nfs/dbraw/zinc/72/86/31/551728631.db2.gz SUSGGWHDDQSVSR-YTMAHBJJSA-N 0 0 564.660 2.738 50 0 KFAARN CCOC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1 ZINC000002056687 551740093 /nfs/dbraw/zinc/74/00/93/551740093.db2.gz JNGWZWAKNOEMAD-XUDLPTGHSA-N 0 0 531.417 2.857 50 0 KFAARN CCOC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000002056689 551740129 /nfs/dbraw/zinc/74/01/29/551740129.db2.gz JNGWZWAKNOEMAD-FSEPTYSPSA-N 0 0 531.417 2.857 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002058637 551740737 /nfs/dbraw/zinc/74/07/37/551740737.db2.gz CPRGVNRMJWPGPY-PLQXQRLBSA-N 0 0 550.589 2.658 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002058639 551740720 /nfs/dbraw/zinc/74/07/20/551740720.db2.gz CPRGVNRMJWPGPY-VVNKCDPRSA-N 0 0 550.589 2.658 50 0 KFAARN CCCS(=O)(=O)c1c2ccc(C(N)=O)cn2c(C(=O)c2ccc(OC)cc2)c1S(=O)(=O)CCC ZINC000002058738 551740911 /nfs/dbraw/zinc/74/09/11/551740911.db2.gz DEIAJQFQZHNIHG-UHFFFAOYSA-N 0 0 506.602 2.645 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1cccs1 ZINC000002058823 551740928 /nfs/dbraw/zinc/74/09/28/551740928.db2.gz ZRQWIVXUGDLUOS-IYMWYRQMSA-N 0 0 526.592 2.710 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1 ZINC000002058825 551740930 /nfs/dbraw/zinc/74/09/30/551740930.db2.gz ZRQWIVXUGDLUOS-VMOHIOPYSA-N 0 0 526.592 2.710 50 0 KFAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002058852 551740886 /nfs/dbraw/zinc/74/08/86/551740886.db2.gz HRUCEDCSMWWGBS-UGUGFTGJSA-N 0 0 517.607 2.934 50 0 KFAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002058854 551740938 /nfs/dbraw/zinc/74/09/38/551740938.db2.gz HRUCEDCSMWWGBS-FEYWKWKCSA-N 0 0 517.607 2.934 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002058931 551740997 /nfs/dbraw/zinc/74/09/97/551740997.db2.gz MRZDUUHSMSJREB-RKKARLDVSA-N 0 0 503.580 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002058933 551741025 /nfs/dbraw/zinc/74/10/25/551741025.db2.gz MRZDUUHSMSJREB-VFJWVMJUSA-N 0 0 503.580 2.544 50 0 KFAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002060530 551742129 /nfs/dbraw/zinc/74/21/29/551742129.db2.gz WJJLNTRYSXBDSM-QQYUXEJHSA-N 0 0 545.617 2.850 50 0 KFAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002060532 551742142 /nfs/dbraw/zinc/74/21/42/551742142.db2.gz WJJLNTRYSXBDSM-MYXKAAJQSA-N 0 0 545.617 2.850 50 0 KFAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002063859 551744578 /nfs/dbraw/zinc/74/45/78/551744578.db2.gz MQOXVASIPDLESE-UGUGFTGJSA-N 0 0 517.607 2.934 50 0 KFAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002063861 551744855 /nfs/dbraw/zinc/74/48/55/551744855.db2.gz MQOXVASIPDLESE-FEYWKWKCSA-N 0 0 517.607 2.934 50 0 KFAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063875 551744831 /nfs/dbraw/zinc/74/48/31/551744831.db2.gz TYLWURIRPNTBAS-QQYUXEJHSA-N 0 0 547.633 2.942 50 0 KFAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063877 551744774 /nfs/dbraw/zinc/74/47/74/551744774.db2.gz TYLWURIRPNTBAS-MYXKAAJQSA-N 0 0 547.633 2.942 50 0 KFAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002071018 551747113 /nfs/dbraw/zinc/74/71/13/551747113.db2.gz YRBMUXKFQGIQSK-RKKARLDVSA-N 0 0 503.580 2.544 50 0 KFAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002071020 551747095 /nfs/dbraw/zinc/74/70/95/551747095.db2.gz YRBMUXKFQGIQSK-VFJWVMJUSA-N 0 0 503.580 2.544 50 0 KFAARN COc1cc(NC(=O)[C@H](CCSC)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1 ZINC000002094118 551760248 /nfs/dbraw/zinc/76/02/48/551760248.db2.gz KDERFFSXHGPMLQ-WWMYMODYSA-N 0 0 500.621 2.755 50 0 biogenic KFAARN CSCC[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)NCCc1c[nH]c2ccccc12 ZINC000002095376 551761269 /nfs/dbraw/zinc/76/12/69/551761269.db2.gz RBRLXUWJUCHHKW-RFWXGWTQSA-N 0 0 507.660 2.939 50 0 biogenic KFAARN CCOP(=O)(OCC)[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(Cl)(Cl)Cl ZINC000002106936 551764569 /nfs/dbraw/zinc/76/45/69/551764569.db2.gz JYMSANVMPPHQNZ-AWEZNQCLSA-N 0 0 507.716 2.910 50 0 KFAARN CCOP(=O)(OCC)[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(Cl)(Cl)Cl ZINC000002106938 551764500 /nfs/dbraw/zinc/76/45/00/551764500.db2.gz JYMSANVMPPHQNZ-CQSZACIVSA-N 0 0 507.716 2.910 50 0 KFAARN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc1OCC)[nH]c2=O ZINC000002126313 551772056 /nfs/dbraw/zinc/77/20/56/551772056.db2.gz STQIWWNMIGLZGK-MSOLQXFVSA-N 0 0 564.668 2.645 50 0 biogenic KFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(-c2ccc(I)cc2)c1=O ZINC000002128847 551772441 /nfs/dbraw/zinc/77/24/41/551772441.db2.gz QHNXHVXFYWIWDC-LJQANCHMSA-N 0 0 530.322 2.561 50 0 biogenic KFAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(-c2ccc(I)cc2)c1=O ZINC000002128848 551772431 /nfs/dbraw/zinc/77/24/31/551772431.db2.gz QHNXHVXFYWIWDC-IBGZPJMESA-N 0 0 530.322 2.561 50 0 biogenic KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139171 551774401 /nfs/dbraw/zinc/77/44/01/551774401.db2.gz NTWGEIYDHYAVDJ-HSNRCERBSA-N 0 0 570.602 2.517 50 0 biogenic KFAARN COc1ccccc1C[C@@]1(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000002139302 551774378 /nfs/dbraw/zinc/77/43/78/551774378.db2.gz BOCSJCZQQYABHK-OIPNOHFQSA-N 0 0 526.593 2.788 50 0 biogenic KFAARN COc1ccccc1C[C@]1(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000002139303 551774445 /nfs/dbraw/zinc/77/44/45/551774445.db2.gz BOCSJCZQQYABHK-YVXHJSNWSA-N 0 0 526.593 2.788 50 0 biogenic KFAARN COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000002139390 551774435 /nfs/dbraw/zinc/77/44/35/551774435.db2.gz VTWNVXCBJKJFPN-SAFBISLCSA-N 0 0 556.619 2.797 50 0 biogenic KFAARN COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000002144575 551775771 /nfs/dbraw/zinc/77/57/71/551775771.db2.gz NOFRXDKMBYNGSB-VDZJOXJSSA-N 0 0 526.593 2.788 50 0 biogenic KFAARN COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000002144578 551775757 /nfs/dbraw/zinc/77/57/57/551775757.db2.gz NOFRXDKMBYNGSB-DGIFUFQNSA-N 0 0 526.593 2.788 50 0 biogenic KFAARN CCOC(=O)c1ccc(NC(=O)[C@H](CCSC)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002147592 551776551 /nfs/dbraw/zinc/77/65/51/551776551.db2.gz MKRHQGOTJVOMNR-LMNJBCLMSA-N 0 0 512.632 2.914 50 0 biogenic KFAARN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002150074 551777992 /nfs/dbraw/zinc/77/79/92/551777992.db2.gz QTYDEGCVZJFKGW-CUYJMHBOSA-N 0 0 500.599 2.913 50 0 biogenic KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3cccs3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002156144 551779712 /nfs/dbraw/zinc/77/97/12/551779712.db2.gz XBJYDSQMRDDDCT-FSQFJQELSA-N 0 0 532.622 2.850 50 0 biogenic KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cccs3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002156147 551779720 /nfs/dbraw/zinc/77/97/20/551779720.db2.gz XBJYDSQMRDDDCT-DIBPYXDISA-N 0 0 532.622 2.850 50 0 biogenic KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(CCOC)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000002174856 551783212 /nfs/dbraw/zinc/78/32/12/551783212.db2.gz MWVLBBYYLRCRLG-FCKOQQNDSA-N 0 0 539.654 2.880 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(CCOC)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000002174858 551783216 /nfs/dbraw/zinc/78/32/16/551783216.db2.gz MWVLBBYYLRCRLG-DLBLZJNESA-N 0 0 539.654 2.880 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002177313 551783625 /nfs/dbraw/zinc/78/36/25/551783625.db2.gz GCMADUSEPXWWKK-CVGPFBNFSA-N 0 0 554.621 2.841 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002177315 551783573 /nfs/dbraw/zinc/78/35/73/551783573.db2.gz GCMADUSEPXWWKK-LJJBLSSYSA-N 0 0 554.621 2.841 50 0 KFAARN CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccccc2)(C(F)(F)F)C(=O)N3)cc1OCC ZINC000002192589 551790902 /nfs/dbraw/zinc/79/09/02/551790902.db2.gz KYIYEKZGARHELC-VWLOTQADSA-N 0 0 546.502 2.716 50 0 KFAARN CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccccc2)(C(F)(F)F)C(=O)N3)cc1OCC ZINC000002192590 551790928 /nfs/dbraw/zinc/79/09/28/551790928.db2.gz KYIYEKZGARHELC-RUZDIDTESA-N 0 0 546.502 2.716 50 0 KFAARN CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2cccc(F)c2)(C(F)(F)F)C(=O)N3)cc1OCC ZINC000002192639 551791130 /nfs/dbraw/zinc/79/11/30/551791130.db2.gz XPDZWLUDUSRJOL-VWLOTQADSA-N 0 0 564.492 2.856 50 0 KFAARN CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2cccc(F)c2)(C(F)(F)F)C(=O)N3)cc1OCC ZINC000002192640 551791161 /nfs/dbraw/zinc/79/11/61/551791161.db2.gz XPDZWLUDUSRJOL-RUZDIDTESA-N 0 0 564.492 2.856 50 0 KFAARN CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2ccc(OC(C)=O)c(OCC)c2)c3=O)cc1 ZINC000002211517 552081274 /nfs/dbraw/zinc/08/12/74/552081274.db2.gz QULIWYUTTWLILZ-HAHDFKILSA-N 0 0 507.568 2.763 50 0 KFAARN COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@]12c1ccccc1N(CC(=O)OCc1ccccc1)C2=O ZINC000002212144 551794220 /nfs/dbraw/zinc/79/42/20/551794220.db2.gz ATAYBHPALYEHRF-MUUNZHRXSA-N 0 0 520.538 2.614 50 0 KFAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(C)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(C)cc1 ZINC000002212687 551794385 /nfs/dbraw/zinc/79/43/85/551794385.db2.gz HFQFDYSLRCKJEZ-DYEBDLIZSA-N 0 0 518.635 2.947 50 0 KFAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(C)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(C)cc1 ZINC000002212690 551794485 /nfs/dbraw/zinc/79/44/85/551794485.db2.gz HFQFDYSLRCKJEZ-CSMMYAOASA-N 0 0 518.635 2.947 50 0 KFAARN CCOC(=O)CN1c2ccccc2[C@]2(C1=O)C(C(=O)OCc1ccccc1)=C(C)OC(N)=C2C(=O)OCC ZINC000002231392 551797754 /nfs/dbraw/zinc/79/77/54/551797754.db2.gz SZEDREDBYKNVHK-NDEPHWFRSA-N 0 0 520.538 2.615 50 0 KFAARN CCCCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)[C@]12c1cc(Br)ccc1NC2=O ZINC000002231497 551797816 /nfs/dbraw/zinc/79/78/16/551797816.db2.gz ZOROAHKWATWFBN-JOCHJYFZSA-N 0 0 509.353 2.646 50 0 KFAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccc(Cl)cc1Cl ZINC000002233761 552082458 /nfs/dbraw/zinc/08/24/58/552082458.db2.gz SPMSQIMLZOOLPG-GOSISDBHSA-N 0 0 503.220 2.624 50 0 KFAARN O=c1/c(=C/c2ccc(I)o2)sc2n1CN(c1ccc(Br)cc1)CN=2 ZINC000002240673 551799121 /nfs/dbraw/zinc/79/91/21/551799121.db2.gz RIQRRUAHBCJIIE-QPEQYQDCSA-N 0 0 516.158 2.754 50 0 KFAARN CCOC(=O)c1cnn(-c2nc3sc4c(c3c(-n3ncc(C(=O)OCC)c3N)n2)CC[C@H](C)C4)c1N ZINC000002253304 551801934 /nfs/dbraw/zinc/80/19/34/551801934.db2.gz PXJKIKRMFKWNLJ-NSHDSACASA-N 0 0 510.580 2.705 50 0 KFAARN CCOC(=O)c1cnn(-c2nc3sc4c(c3c(-n3ncc(C(=O)OCC)c3N)n2)CC[C@@H](C)C4)c1N ZINC000002253305 551801929 /nfs/dbraw/zinc/80/19/29/551801929.db2.gz PXJKIKRMFKWNLJ-LLVKDONJSA-N 0 0 510.580 2.705 50 0 KFAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002259552 551803721 /nfs/dbraw/zinc/80/37/21/551803721.db2.gz NPJSSQDUWHGURE-UGUGFTGJSA-N 0 0 517.607 2.934 50 0 KFAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002259554 551803714 /nfs/dbraw/zinc/80/37/14/551803714.db2.gz NPJSSQDUWHGURE-FEYWKWKCSA-N 0 0 517.607 2.934 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccccc1OC ZINC000002261126 552084176 /nfs/dbraw/zinc/08/41/76/552084176.db2.gz SYAXXAMPJGGDMZ-RKKARLDVSA-N 0 0 503.580 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccccc1OC ZINC000002261128 552084180 /nfs/dbraw/zinc/08/41/80/552084180.db2.gz SYAXXAMPJGGDMZ-VFJWVMJUSA-N 0 0 503.580 2.544 50 0 KFAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3Cl)sc2=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000002263246 551804016 /nfs/dbraw/zinc/80/40/16/551804016.db2.gz LESYMUNRTNKHTN-FSEPTYSPSA-N 0 0 531.417 2.857 50 0 KFAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3Cl)sc2=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000002263248 551804006 /nfs/dbraw/zinc/80/40/06/551804006.db2.gz LESYMUNRTNKHTN-XUDLPTGHSA-N 0 0 531.417 2.857 50 0 KFAARN O=C1C[C@H](N(O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C(=O)N1c1ccc(Br)cc1 ZINC000002263369 551803989 /nfs/dbraw/zinc/80/39/89/551803989.db2.gz PBHHHOHGJFUHIU-HOTGVXAUSA-N 0 0 537.164 2.867 50 0 KFAARN COc1ccc(-n2c(=O)c3cc(I)ccc3nc2SCC(=O)N2CCOCC2)cc1 ZINC000002263801 551804095 /nfs/dbraw/zinc/80/40/95/551804095.db2.gz ASWILFYCVISINQ-UHFFFAOYSA-N 0 0 537.379 2.950 50 0 KFAARN CCOC(=O)C1=c2sc(=Cc3ccccc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000002274523 552086055 /nfs/dbraw/zinc/08/60/55/552086055.db2.gz YXSNTAQFTQIYNG-NMFWXREBSA-N 0 0 544.654 2.809 50 0 KFAARN CCOC(=O)C1=c2sc(=Cc3ccccc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000002274525 552086073 /nfs/dbraw/zinc/08/60/73/552086073.db2.gz YXSNTAQFTQIYNG-MUGAAPJKSA-N 0 0 544.654 2.809 50 0 KFAARN COc1ccc(CCNC(=O)c2c(N)n(-c3cccc(S(N)(=O)=O)c3)c3nc4ccccc4nc32)cc1 ZINC000002276807 552086656 /nfs/dbraw/zinc/08/66/56/552086656.db2.gz LEJKHUSASZOPKO-UHFFFAOYSA-N 0 0 516.583 2.784 50 0 KFAARN Nc1c(C(=O)NCCc2ccc(F)cc2)c2nc3ccccc3nc2n1-c1ccc(S(N)(=O)=O)cc1 ZINC000002279733 551805833 /nfs/dbraw/zinc/80/58/33/551805833.db2.gz WZZVARBPPSFQEA-UHFFFAOYSA-N 0 0 504.547 2.915 50 0 KFAARN Cn1c2nc3n(cc(-c4ccc(Br)cc4)n3-c3ccc4c(c3)OCCO4)c2c(=O)n(C)c1=O ZINC000002284741 551806681 /nfs/dbraw/zinc/80/66/81/551806681.db2.gz GZECGWWQGZEPOD-UHFFFAOYSA-N 0 0 508.332 2.876 50 0 KFAARN COc1ccccc1CNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc21 ZINC000002286191 552087506 /nfs/dbraw/zinc/08/75/06/552087506.db2.gz MRMDIAPIZCSRPA-UHFFFAOYSA-N 0 0 502.556 2.742 50 0 KFAARN COc1ccc(CCNC(=O)c2c(N)n(-c3ccc(S(N)(=O)=O)cc3)c3nc4ccccc4nc32)cc1OC ZINC000002290426 552088185 /nfs/dbraw/zinc/08/81/85/552088185.db2.gz CSEWFWXJDBRZNS-UHFFFAOYSA-N 0 0 546.609 2.793 50 0 KFAARN COc1ccc(CNC(=O)c2c(N)n(-c3ccc(S(N)(=O)=O)cc3)c3nc4ccccc4nc32)cc1 ZINC000002291098 552088584 /nfs/dbraw/zinc/08/85/84/552088584.db2.gz VVRBZHHBWWEUAX-UHFFFAOYSA-N 0 0 502.556 2.742 50 0 KFAARN COC(=O)c1cc(Br)c(=O)n(CCCCn2cc(C(=O)OC)cc(Br)c2=O)c1 ZINC000002293697 552088939 /nfs/dbraw/zinc/08/89/39/552088939.db2.gz XAWHOJXSVYRNRC-UHFFFAOYSA-N 0 0 518.158 2.589 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002298162 552089857 /nfs/dbraw/zinc/08/98/57/552089857.db2.gz HPOWYITWDJQJNO-JUTHHCEFSA-N 0 0 510.568 2.530 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002298164 552089865 /nfs/dbraw/zinc/08/98/65/552089865.db2.gz HPOWYITWDJQJNO-VVOOWDFBSA-N 0 0 510.568 2.530 50 0 KFAARN CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(F)cc4)CC3)cc21 ZINC000002300761 551807835 /nfs/dbraw/zinc/80/78/35/551807835.db2.gz YMBBRFTWUIAWGK-UHFFFAOYSA-N 0 0 500.527 2.835 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000002304210 551808528 /nfs/dbraw/zinc/80/85/28/551808528.db2.gz QAFXIQCQEGZAPL-CVGPFBNFSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000002304212 551808534 /nfs/dbraw/zinc/80/85/34/551808534.db2.gz QAFXIQCQEGZAPL-LJJBLSSYSA-N 0 0 524.595 2.833 50 0 KFAARN CCN1CCc2c(sc(NC(=S)NC(=O)c3ccccc3I)c2C(N)=O)C1 ZINC000002308015 552090663 /nfs/dbraw/zinc/09/06/63/552090663.db2.gz WHONOMPQNOFWDL-UHFFFAOYSA-N 0 0 514.414 2.956 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000002314692 552092200 /nfs/dbraw/zinc/09/22/00/552092200.db2.gz YSXSBHQOCLWXQI-CVGPFBNFSA-N 0 0 524.595 2.920 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000002314694 552092459 /nfs/dbraw/zinc/09/24/59/552092459.db2.gz YSXSBHQOCLWXQI-LJJBLSSYSA-N 0 0 524.595 2.920 50 0 KFAARN 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/nfs/dbraw/zinc/22/56/57/552225657.db2.gz GULPYDDBGOIMCF-GOSISDBHSA-N 0 0 533.050 2.843 50 0 KFAARN O=C([C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000002929233 552225693 /nfs/dbraw/zinc/22/56/93/552225693.db2.gz QFOVTQCCJLGABT-JOCHJYFZSA-N 0 0 503.024 2.727 50 0 KFAARN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000002929234 552225672 /nfs/dbraw/zinc/22/56/72/552225672.db2.gz QFOVTQCCJLGABT-QFIPXVFZSA-N 0 0 503.024 2.727 50 0 KFAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)N1CCC2(CC1)OCCO2 ZINC000002938177 552227726 /nfs/dbraw/zinc/22/77/26/552227726.db2.gz BNPZENRSTGAEER-FQEVSTJZSA-N 0 0 509.422 2.704 50 0 KFAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)N1CCC2(CC1)OCCO2 ZINC000002938178 552227710 /nfs/dbraw/zinc/22/77/10/552227710.db2.gz BNPZENRSTGAEER-HXUWFJFHSA-N 0 0 509.422 2.704 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC[C@H]([NH3+])C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000002944405 552227957 /nfs/dbraw/zinc/22/79/57/552227957.db2.gz CCCBOTUEAVHMND-PMACEKPBSA-N 0 0 513.591 2.857 50 0 biogenic KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC[C@@H]([NH3+])C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000002944407 552227892 /nfs/dbraw/zinc/22/78/92/552227892.db2.gz CCCBOTUEAVHMND-UXHICEINSA-N 0 0 513.591 2.857 50 0 biogenic KFAARN CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)c(=O)c2cc1OCC ZINC000002952656 552229984 /nfs/dbraw/zinc/22/99/84/552229984.db2.gz KVFLGNHINXDJHT-UHFFFAOYSA-N 0 0 515.607 2.659 50 0 KFAARN COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccc5)CC4)ccc3c2=O)cc1OC ZINC000002952766 552229935 /nfs/dbraw/zinc/22/99/35/552229935.db2.gz KOXZIHIPXWTBIG-UHFFFAOYSA-N 0 0 514.582 2.912 50 0 KFAARN COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3c2=O)cc1OC ZINC000002952768 552229979 /nfs/dbraw/zinc/22/99/79/552229979.db2.gz NDZLKVPBRYFZKS-UHFFFAOYSA-N 0 0 503.511 2.608 50 0 KFAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2CC(=O)NCc1ccco1 ZINC000002956635 552231284 /nfs/dbraw/zinc/23/12/84/552231284.db2.gz WDWAQEASGULIGI-UHFFFAOYSA-N 0 0 500.964 2.787 50 0 KFAARN COc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)c1 ZINC000002956777 552231523 /nfs/dbraw/zinc/23/15/23/552231523.db2.gz BCGUSKFEVRNUIN-UHFFFAOYSA-N 0 0 580.663 2.609 50 0 KFAARN CCCN(CCC)C(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2cccc(OC)c2)c1=O ZINC000002956782 552231494 /nfs/dbraw/zinc/23/14/94/552231494.db2.gz LEXIPJFVYWVBEV-UHFFFAOYSA-N 0 0 500.621 2.881 50 0 KFAARN COC(=O)c1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2cccc(OC)c2)c1=O ZINC000002956787 552231798 /nfs/dbraw/zinc/23/17/98/552231798.db2.gz UWOPMDPZGDVOCT-UHFFFAOYSA-N 0 0 550.593 2.658 50 0 KFAARN COc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)OCc3ccccc3)c2=O)c1 ZINC000002956814 552231821 /nfs/dbraw/zinc/23/18/21/552231821.db2.gz NPMRPFVVPFWVGG-UHFFFAOYSA-N 0 0 507.568 2.976 50 0 KFAARN Nc1c(C(=O)NCCNC(=O)c2nnn(-c3ccc(Cl)cc3Cl)c2N)nnn1-c1ccc(Cl)cc1Cl ZINC000002957618 552232992 /nfs/dbraw/zinc/23/29/92/552232992.db2.gz WJGVPSXUGRXVIJ-UHFFFAOYSA-N 0 0 570.228 2.786 50 0 KFAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(N)=O)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000002959909 1059012086 /nfs/dbraw/zinc/01/20/86/1059012086.db2.gz BNWDNOUHBYPFIE-NZRLAXAZSA-N 0 0 599.665 2.817 50 0 KFAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(N)=O)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000002959913 1059012061 /nfs/dbraw/zinc/01/20/61/1059012061.db2.gz BNWDNOUHBYPFIE-NOZLNSQSSA-N 0 0 599.665 2.817 50 0 KFAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](Cc4ccccc4)C(=O)N32)cc1 ZINC000002964463 552235611 /nfs/dbraw/zinc/23/56/11/552235611.db2.gz MSJPOLXQDJDWSQ-QHCPKHFHSA-N 0 0 547.662 2.627 50 0 KFAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](Cc4ccccc4)C(=O)N32)cc1 ZINC000002964465 552235613 /nfs/dbraw/zinc/23/56/13/552235613.db2.gz MSJPOLXQDJDWSQ-HSZRJFAPSA-N 0 0 547.662 2.627 50 0 KFAARN CCOC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21 ZINC000002967164 552236405 /nfs/dbraw/zinc/23/64/05/552236405.db2.gz DEBXBCYRVDGOLH-SFHVURJKSA-N 0 0 508.556 2.767 50 0 KFAARN CCOC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21 ZINC000002967168 552236387 /nfs/dbraw/zinc/23/63/87/552236387.db2.gz DEBXBCYRVDGOLH-GOSISDBHSA-N 0 0 508.556 2.767 50 0 KFAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)n[nH]1 ZINC000002967179 552236411 /nfs/dbraw/zinc/23/64/11/552236411.db2.gz GEEYRSCZANTOKK-IBGZPJMESA-N 0 0 559.608 2.874 50 0 KFAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)n[nH]1 ZINC000002967181 552236403 /nfs/dbraw/zinc/23/64/03/552236403.db2.gz GEEYRSCZANTOKK-LJQANCHMSA-N 0 0 559.608 2.874 50 0 KFAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4cccs4)C(=O)N32)n[nH]1 ZINC000002967730 552238214 /nfs/dbraw/zinc/23/82/14/552238214.db2.gz IDXHCOBVSJTKTQ-KRWDZBQOSA-N 0 0 507.601 2.817 50 0 KFAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4cccs4)C(=O)N32)n[nH]1 ZINC000002967733 552238302 /nfs/dbraw/zinc/23/83/02/552238302.db2.gz IDXHCOBVSJTKTQ-QGZVFWFLSA-N 0 0 507.601 2.817 50 0 KFAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3)C(=O)N21)NCc1ccco1 ZINC000002968137 552239314 /nfs/dbraw/zinc/23/93/14/552239314.db2.gz VBBCYJVYDJZSCD-NRFANRHFSA-N 0 0 501.568 2.994 50 0 KFAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3)C(=O)N21)NCc1ccco1 ZINC000002968139 552239229 /nfs/dbraw/zinc/23/92/29/552239229.db2.gz VBBCYJVYDJZSCD-OAQYLSRUSA-N 0 0 501.568 2.994 50 0 KFAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccccc4)C(=O)N32)n[nH]1 ZINC000002968165 552239234 /nfs/dbraw/zinc/23/92/34/552239234.db2.gz QEBLOHVLEYESDP-IBGZPJMESA-N 0 0 501.572 2.755 50 0 KFAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccccc4)C(=O)N32)n[nH]1 ZINC000002968168 552239356 /nfs/dbraw/zinc/23/93/56/552239356.db2.gz QEBLOHVLEYESDP-LJQANCHMSA-N 0 0 501.572 2.755 50 0 KFAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc(F)cc4)C(=O)N32)n[nH]1 ZINC000002968293 552239878 /nfs/dbraw/zinc/23/98/78/552239878.db2.gz ZSFPBELQZGANJF-IBGZPJMESA-N 0 0 519.562 2.894 50 0 KFAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc(F)cc4)C(=O)N32)n[nH]1 ZINC000002968297 552239882 /nfs/dbraw/zinc/23/98/82/552239882.db2.gz ZSFPBELQZGANJF-LJQANCHMSA-N 0 0 519.562 2.894 50 0 KFAARN COc1ccc(CNC(=O)C[C@@H]2N=C3c4ccccc4N=C(SCC(=O)Nc4cc(C)[nH]n4)N3C2=O)cc1 ZINC000002968416 552240391 /nfs/dbraw/zinc/24/03/91/552240391.db2.gz SHVJPPFNUQWAPA-FQEVSTJZSA-N 0 0 531.598 2.764 50 0 KFAARN COc1ccc(CNC(=O)C[C@H]2N=C3c4ccccc4N=C(SCC(=O)Nc4cc(C)[nH]n4)N3C2=O)cc1 ZINC000002968419 552240377 /nfs/dbraw/zinc/24/03/77/552240377.db2.gz SHVJPPFNUQWAPA-HXUWFJFHSA-N 0 0 531.598 2.764 50 0 KFAARN COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(C)[nH]n3)N2C1=O ZINC000002968506 552241085 /nfs/dbraw/zinc/24/10/85/552241085.db2.gz PPGDUYKPWDYAIU-IBGZPJMESA-N 0 0 531.598 2.764 50 0 KFAARN COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(C)[nH]n3)N2C1=O ZINC000002968508 552241135 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ABJCAEYXTPMMCW-UHFFFAOYSA-N 0 0 514.654 2.605 50 0 KFAARN CCOC(=O)CSc1nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000002970700 552243772 /nfs/dbraw/zinc/24/37/72/552243772.db2.gz DTTLOUDZAIHQBV-UHFFFAOYSA-N 0 0 567.620 2.808 50 0 KFAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cccc(OC)c1)n(CCc1ccc(S(N)(=O)=O)cc1)c2=O ZINC000002970795 552243760 /nfs/dbraw/zinc/24/37/60/552243760.db2.gz OHOBKFZSVWBDSU-UHFFFAOYSA-N 0 0 582.660 2.813 50 0 KFAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1OC)n(CCc1ccc(S(N)(=O)=O)cc1)c2=O ZINC000002971088 552244061 /nfs/dbraw/zinc/24/40/61/552244061.db2.gz NAHBHCSTMOJIPS-UHFFFAOYSA-N 0 0 582.660 2.813 50 0 KFAARN NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCC(=O)Nc2nccs2)n(Cc2ccco2)c3=O)CC1 ZINC000002973996 552245931 /nfs/dbraw/zinc/24/59/31/552245931.db2.gz CKYIANUSVQDTEG-UHFFFAOYSA-N 0 0 552.638 2.563 50 0 KFAARN O=C(CCn1c(=O)c2cc3c(cc2nc1SCc1cc(=O)n2ccccc2n1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000002975579 552247208 /nfs/dbraw/zinc/24/72/08/552247208.db2.gz 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576.631 2.741 50 0 KFAARN CCN(CC)C(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000002976199 552248769 /nfs/dbraw/zinc/24/87/69/552248769.db2.gz IVFVKHBRFOSVDR-UHFFFAOYSA-N 0 0 510.616 2.971 50 0 KFAARN Cc1cc(NC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccc3c(c2)OCO3)n[nH]1 ZINC000002976217 552248984 /nfs/dbraw/zinc/24/89/84/552248984.db2.gz PAVFFBHVCMJFSY-UHFFFAOYSA-N 0 0 534.598 2.772 50 0 KFAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O ZINC000002979549 552249602 /nfs/dbraw/zinc/24/96/02/552249602.db2.gz FYBZCCJGOAAVJD-UHFFFAOYSA-N 0 0 516.041 2.928 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000002987339 1059012445 /nfs/dbraw/zinc/01/24/45/1059012445.db2.gz KUNXZDXYCPUDJW-IZBTWGKQSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000002987341 1059012311 /nfs/dbraw/zinc/01/23/11/1059012311.db2.gz KUNXZDXYCPUDJW-DKOMQPSQSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002997370 552252029 /nfs/dbraw/zinc/25/20/29/552252029.db2.gz RECUFJCOIKJSRE-YOURIZNBSA-N 0 0 538.578 2.553 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002997372 552252042 /nfs/dbraw/zinc/25/20/42/552252042.db2.gz RECUFJCOIKJSRE-GSOQPGDSSA-N 0 0 538.578 2.553 50 0 KFAARN CN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2C(N)=O)C1 ZINC000003006959 552254286 /nfs/dbraw/zinc/25/42/86/552254286.db2.gz MQCRFCWHLQIIPT-UHFFFAOYSA-N 0 0 510.641 2.834 50 0 KFAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000003007018 552254740 /nfs/dbraw/zinc/25/47/40/552254740.db2.gz YWNXNWPFTFWPRQ-HZPDHXFCSA-N 0 0 521.661 2.963 50 0 KFAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(CC)C2 ZINC000003007047 552254563 /nfs/dbraw/zinc/25/45/63/552254563.db2.gz BBZVXTMOEDZMAM-UHFFFAOYSA-N 0 0 507.634 2.576 50 0 KFAARN 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COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003346867 552365009 /nfs/dbraw/zinc/36/50/09/552365009.db2.gz YGVMFOPFZUBIIN-UHFFFAOYSA-N 0 0 500.932 2.613 50 0 KFAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)CCCOc2ccc(Br)cc2)c(=O)[nH]c1=O ZINC000003348552 552366285 /nfs/dbraw/zinc/36/62/85/552366285.db2.gz WJSXELPOQMCIBE-UHFFFAOYSA-N 0 0 531.407 2.920 50 0 KFAARN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1Cl ZINC000003351712 552367363 /nfs/dbraw/zinc/36/73/63/552367363.db2.gz SMKYFZLMUWJOGP-XNTDXEJSSA-N 0 0 546.030 2.750 50 0 KFAARN COc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2ccccc2Cl)cc1 ZINC000003351809 552367307 /nfs/dbraw/zinc/36/73/07/552367307.db2.gz FZFHXGBGFMBRSW-UHFFFAOYSA-N 0 0 512.979 2.551 50 0 KFAARN CCN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000003351953 552367640 /nfs/dbraw/zinc/36/76/40/552367640.db2.gz HEHAOQLVBXXFAE-LJQANCHMSA-N 0 0 514.629 2.850 50 0 KFAARN CCCCN(C(=O)CSc1nnnn1-c1cc(C)ccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003354983 552368503 /nfs/dbraw/zinc/36/85/03/552368503.db2.gz BUCYUISJIDDCHT-UHFFFAOYSA-N 0 0 534.646 2.685 50 0 KFAARN COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000003355089 552368455 /nfs/dbraw/zinc/36/84/55/552368455.db2.gz QLSWWFAOONTXMF-UHFFFAOYSA-N 0 0 523.567 2.658 50 0 KFAARN Cc1ccccc1-n1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc3c(c2c1=O)CCCC3 ZINC000003356044 552369103 /nfs/dbraw/zinc/36/91/03/552369103.db2.gz ZKKBDCXQUOQARJ-UHFFFAOYSA-N 0 0 523.640 2.589 50 0 KFAARN Cc1c(-n2c(SCC(=O)NCC(F)(F)F)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000003356054 552369087 /nfs/dbraw/zinc/36/90/87/552369087.db2.gz LTBNIZLBTUJECG-UHFFFAOYSA-N 0 0 503.506 2.954 50 0 KFAARN O=C(COC(=O)[C@H]1CS[C@@]2(c3cccs3)CCC(=O)N12)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003357536 552369582 /nfs/dbraw/zinc/36/95/82/552369582.db2.gz VVMNCROBYUXVAA-AJTFRIOCSA-N 0 0 585.729 2.868 50 0 KFAARN 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Cc1nc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c(Cl)cc1Cl ZINC000003360991 552371245 /nfs/dbraw/zinc/37/12/45/552371245.db2.gz SLJILMYYIXWCEF-UHFFFAOYSA-N 0 0 511.181 2.920 50 0 KFAARN Cc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000003361398 552371230 /nfs/dbraw/zinc/37/12/30/552371230.db2.gz MFIOMLYMEPTZBL-UHFFFAOYSA-N 0 0 523.640 2.589 50 0 KFAARN COc1ccc(CNC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1OC ZINC000003362084 552371744 /nfs/dbraw/zinc/37/17/44/552371744.db2.gz KBGQAQFMWFDZNX-UHFFFAOYSA-N 0 0 542.566 2.749 50 0 KFAARN CC(C)Cn1c(SCN2C(=O)c3ccccc3C2=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003362098 552371741 /nfs/dbraw/zinc/37/17/41/552371741.db2.gz UGIUCCPMHOYPMO-UHFFFAOYSA-N 0 0 541.655 2.968 50 0 KFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1C ZINC000003363666 552372443 /nfs/dbraw/zinc/37/24/43/552372443.db2.gz KEQFJNVQBQHMOW-UHFFFAOYSA-N 0 0 517.585 2.547 50 0 KFAARN Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003365038 552373062 /nfs/dbraw/zinc/37/30/62/552373062.db2.gz NLOWHBPIONTIHB-UHFFFAOYSA-N 0 0 540.646 2.500 50 0 KFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1ccccc1OC(F)F ZINC000003365096 552373035 /nfs/dbraw/zinc/37/30/35/552373035.db2.gz FVEPKABIRFQMFQ-FQEVSTJZSA-N 0 0 514.503 2.544 50 0 KFAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C ZINC000003365838 552373590 /nfs/dbraw/zinc/37/35/90/552373590.db2.gz GDOWHCPQXOYTPC-HNNXBMFYSA-N 0 0 518.997 2.603 50 0 KFAARN Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c(=O)n(C)c1=O ZINC000003369520 552375016 /nfs/dbraw/zinc/37/50/16/552375016.db2.gz INKHISYKPLWGLW-UHFFFAOYSA-N 0 0 523.343 2.684 50 0 KFAARN CCCCN(C(=O)CSc1nnc(-c2ccccc2OC)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003370924 552375302 /nfs/dbraw/zinc/37/53/02/552375302.db2.gz QDLTVXXUIBKFSH-UHFFFAOYSA-N 0 0 549.657 2.897 50 0 KFAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1c(F)c(F)c(F)c(F)c1F ZINC000003372063 552375581 /nfs/dbraw/zinc/37/55/81/552375581.db2.gz HPKRRJWVCODGEV-UHFFFAOYSA-N 0 0 528.839 2.852 50 0 KFAARN CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccs5)CC4)cc3C2=O)cc1 ZINC000003372300 552375564 /nfs/dbraw/zinc/37/55/64/552375564.db2.gz VTWFHFRATGOXSO-UHFFFAOYSA-N 0 0 538.607 2.654 50 0 KFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)c1C ZINC000003376134 552376381 /nfs/dbraw/zinc/37/63/81/552376381.db2.gz XILWWXVZJWGCTA-LFAOLKIESA-N 0 0 511.984 2.765 50 0 KFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)c1C ZINC000003376137 552376336 /nfs/dbraw/zinc/37/63/36/552376336.db2.gz XILWWXVZJWGCTA-LQYUOIDQSA-N 0 0 511.984 2.765 50 0 KFAARN COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2-c2ccc(Cl)cc2)cc1 ZINC000003376657 552376603 /nfs/dbraw/zinc/37/66/03/552376603.db2.gz RGOMHVMZTLPWKD-UHFFFAOYSA-N 0 0 512.979 2.551 50 0 KFAARN Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(c4ncccn4)CC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000003376726 552376594 /nfs/dbraw/zinc/37/65/94/552376594.db2.gz LNVGLQSAXCMUGW-UHFFFAOYSA-N 0 0 582.086 2.715 50 0 KFAARN CCOc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2cccc(Cl)c2)cc1 ZINC000003377484 552376852 /nfs/dbraw/zinc/37/68/52/552376852.db2.gz KLODPNFVWAQYLS-UHFFFAOYSA-N 0 0 527.006 2.941 50 0 KFAARN Cc1c(-n2c(SCC(=O)NC(=O)NC(C)C)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000003378400 552377147 /nfs/dbraw/zinc/37/71/47/552377147.db2.gz PKKGEKOTRJXXHR-UHFFFAOYSA-N 0 0 506.588 2.510 50 0 KFAARN Cc1ccc(C)c(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCC4)c1 ZINC000003378403 552377078 /nfs/dbraw/zinc/37/70/78/552377078.db2.gz YKVSYLPRTNLCBA-UHFFFAOYSA-N 0 0 537.667 2.897 50 0 KFAARN Cn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O ZINC000003378426 552377120 /nfs/dbraw/zinc/37/71/20/552377120.db2.gz OJOKSZDHHMGONN-UHFFFAOYSA-N 0 0 518.382 2.647 50 0 KFAARN CCCCN(C(=O)CSc1nnc(-c2ccccc2)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003378667 552377381 /nfs/dbraw/zinc/37/73/81/552377381.db2.gz COGGSZZBVIEMGD-UHFFFAOYSA-N 0 0 519.631 2.888 50 0 KFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1C ZINC000003378734 552377394 /nfs/dbraw/zinc/37/73/94/552377394.db2.gz MTPSCOXIDACXDL-AWEZNQCLSA-N 0 0 540.554 2.817 50 0 KFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CC(=O)Nc2ccccc21 ZINC000003379104 552377599 /nfs/dbraw/zinc/37/75/99/552377599.db2.gz MAKHMWVGFUZMOU-UHFFFAOYSA-N 0 0 525.505 2.635 50 0 KFAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1Cl)CCC2 ZINC000003379143 552377589 /nfs/dbraw/zinc/37/75/89/552377589.db2.gz PRYXNXVKROKVLM-YBJDMEARSA-N 0 0 542.035 2.736 50 0 KFAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1Cl)CCC2 ZINC000003379146 552377668 /nfs/dbraw/zinc/37/76/68/552377668.db2.gz PRYXNXVKROKVLM-KTRBRXNASA-N 0 0 542.035 2.736 50 0 KFAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000003379151 552377568 /nfs/dbraw/zinc/37/75/68/552377568.db2.gz AICWGTOGGNNUJN-CQSZACIVSA-N 0 0 510.528 2.850 50 0 KFAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n(CCOC)c3C)n2N)c1 ZINC000003382587 552378461 /nfs/dbraw/zinc/37/84/61/552378461.db2.gz SUXJSEXBOYNYOK-UHFFFAOYSA-N 0 0 520.681 2.729 50 0 KFAARN O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Br)cc1Br ZINC000003387112 552378747 /nfs/dbraw/zinc/37/87/47/552378747.db2.gz IGVPXWUPIMJDLZ-UHFFFAOYSA-N 0 0 503.147 2.558 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4cc(Cl)ccc4Cl)n3N)CC2)cc1 ZINC000003391402 552379581 /nfs/dbraw/zinc/37/95/81/552379581.db2.gz UZPPGOVLCRWVTR-UHFFFAOYSA-N 0 0 541.486 2.899 50 0 KFAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n[nH]1 ZINC000003391413 552379575 /nfs/dbraw/zinc/37/95/75/552379575.db2.gz UDLSEPKPEDQCPC-UHFFFAOYSA-N 0 0 508.025 2.759 50 0 KFAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 ZINC000003393365 552379594 /nfs/dbraw/zinc/37/95/94/552379594.db2.gz PPKQJVAJUUSNAS-UHFFFAOYSA-N 0 0 508.647 2.803 50 0 KFAARN Cc1cc(Br)c(NC(=O)COn2nnc3ccc(S(C)(=O)=O)cc32)c(Br)c1 ZINC000003396139 552379835 /nfs/dbraw/zinc/37/98/35/552379835.db2.gz IHOBUCQMPVZEDJ-UHFFFAOYSA-N 0 0 518.187 2.736 50 0 KFAARN O=C(COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003397074 552380114 /nfs/dbraw/zinc/38/01/14/552380114.db2.gz SCWJYUCWGJVXFV-UHFFFAOYSA-N 0 0 533.509 2.500 50 0 KFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1cccc(I)c1 ZINC000003398175 552380140 /nfs/dbraw/zinc/38/01/40/552380140.db2.gz QVTNIRDYNAAIKH-FQEVSTJZSA-N 0 0 574.393 2.547 50 0 KFAARN Cn1c(N)c(C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccccc2)c(=O)n(C)c1=O ZINC000003398749 552380438 /nfs/dbraw/zinc/38/04/38/552380438.db2.gz NIBUSVALXFEALE-UHFFFAOYSA-N 0 0 527.006 2.513 50 0 KFAARN CCc1sc2nc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC000003398825 552380446 /nfs/dbraw/zinc/38/04/46/552380446.db2.gz WEDNUXHCKZJBOK-UHFFFAOYSA-N 0 0 525.656 2.640 50 0 KFAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000003400004 552380484 /nfs/dbraw/zinc/38/04/84/552380484.db2.gz MBOXGQSRPBQHHH-UHFFFAOYSA-N 0 0 526.567 2.806 50 0 KFAARN CCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003400881 552380841 /nfs/dbraw/zinc/38/08/41/552380841.db2.gz TYHNAWQUXVXTNY-GOSISDBHSA-N 0 0 500.602 2.791 50 0 KFAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc12 ZINC000003401253 552380831 /nfs/dbraw/zinc/38/08/31/552380831.db2.gz SIJDJAULLXLQEV-UHFFFAOYSA-N 0 0 516.576 2.698 50 0 KFAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2N)cc1 ZINC000003401801 552380792 /nfs/dbraw/zinc/38/07/92/552380792.db2.gz UULNOYBMLDLCSG-UHFFFAOYSA-N 0 0 502.622 2.573 50 0 KFAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)CC2)c(C)c1 ZINC000003410033 552381894 /nfs/dbraw/zinc/38/18/94/552381894.db2.gz QDRLELYSALTIAA-UHFFFAOYSA-N 0 0 525.718 2.607 50 0 KFAARN Cn1c(N)c(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)c(=O)n(C)c1=O ZINC000003412851 552382397 /nfs/dbraw/zinc/38/23/97/552382397.db2.gz DCYWNJZWGCTNDI-UHFFFAOYSA-N 0 0 597.049 2.755 50 0 KFAARN C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc(Br)ccc12 ZINC000003417737 552383145 /nfs/dbraw/zinc/38/31/45/552383145.db2.gz IZXOHXMVHFNTAD-WLRWDXFRSA-N 0 0 530.780 2.980 50 0 KFAARN C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc(Br)ccc12 ZINC000003417739 552383150 /nfs/dbraw/zinc/38/31/50/552383150.db2.gz IZXOHXMVHFNTAD-WYRIXSBYSA-N 0 0 530.780 2.980 50 0 KFAARN C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc(Br)ccc12 ZINC000003417742 552383122 /nfs/dbraw/zinc/38/31/22/552383122.db2.gz IZXOHXMVHFNTAD-JEOXALJRSA-N 0 0 530.780 2.980 50 0 KFAARN C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc(Br)ccc12 ZINC000003417744 552383154 /nfs/dbraw/zinc/38/31/54/552383154.db2.gz IZXOHXMVHFNTAD-NSPYISDASA-N 0 0 530.780 2.980 50 0 KFAARN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c12 ZINC000003424784 552384164 /nfs/dbraw/zinc/38/41/64/552384164.db2.gz NRBSCOFWFRJVQU-LJQANCHMSA-N 0 0 504.568 2.856 50 0 KFAARN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000003425771 552384494 /nfs/dbraw/zinc/38/44/94/552384494.db2.gz AAMDIVQRRNYRPL-ZDUSSCGKSA-N 0 0 506.023 2.999 50 0 KFAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000003425773 552384437 /nfs/dbraw/zinc/38/44/37/552384437.db2.gz AAMDIVQRRNYRPL-CYBMUJFWSA-N 0 0 506.023 2.999 50 0 KFAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 ZINC000003427504 552384723 /nfs/dbraw/zinc/38/47/23/552384723.db2.gz GZCXTGBXVKAJGO-UHFFFAOYSA-N 0 0 504.590 2.887 50 0 KFAARN CCn1cc(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(=O)c2ccc(C)nc21 ZINC000003428015 552384699 /nfs/dbraw/zinc/38/46/99/552384699.db2.gz VYGQYWSKCWXHBU-UHFFFAOYSA-N 0 0 516.602 2.898 50 0 KFAARN NC(=O)c1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)cc(C(N)=O)c1 ZINC000003430968 552385237 /nfs/dbraw/zinc/38/52/37/552385237.db2.gz IIBNLYDUYRRYPG-UHFFFAOYSA-N 0 0 539.520 2.916 50 0 KFAARN COCCN(C(=O)c1cccc(OCc2c(C)noc2C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003431122 552385226 /nfs/dbraw/zinc/38/52/26/552385226.db2.gz SSYTZAWUFBKVFB-UHFFFAOYSA-N 0 0 519.558 2.644 50 0 KFAARN CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003431662 552385596 /nfs/dbraw/zinc/38/55/96/552385596.db2.gz MJQLJVKCMXNQHF-UHFFFAOYSA-N 0 0 566.709 2.982 50 0 KFAARN CCCCN(C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000003432014 552385610 /nfs/dbraw/zinc/38/56/10/552385610.db2.gz WDYLCNSSASEGCU-NRFANRHFSA-N 0 0 517.586 2.569 50 0 KFAARN CCCCN(C(=O)CSc1nncn1-c1ccccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003433172 552385805 /nfs/dbraw/zinc/38/58/05/552385805.db2.gz DSNAAYKSTSMVCY-UHFFFAOYSA-N 0 0 535.630 2.682 50 0 KFAARN COc1ccc(N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000003433862 552386159 /nfs/dbraw/zinc/38/61/59/552386159.db2.gz PPSTVTNLPOKTGV-CYBMUJFWSA-N 0 0 507.417 2.501 50 0 KFAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000003434169 552386297 /nfs/dbraw/zinc/38/62/97/552386297.db2.gz DJPPGLIVFGZRNU-UHFFFAOYSA-N 0 0 525.414 2.710 50 0 KFAARN O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1nc(-c2ccccc2)cs1 ZINC000003434251 552386314 /nfs/dbraw/zinc/38/63/14/552386314.db2.gz SHLWGVUFPFXOGW-UHFFFAOYSA-N 0 0 507.615 2.617 50 0 KFAARN NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c(Cl)c1 ZINC000003435767 552386714 /nfs/dbraw/zinc/38/67/14/552386714.db2.gz FCTWLZTZXGWHOM-CQSZACIVSA-N 0 0 504.373 2.626 50 0 KFAARN NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(Cl)c1 ZINC000003435769 552386701 /nfs/dbraw/zinc/38/67/01/552386701.db2.gz FCTWLZTZXGWHOM-AWEZNQCLSA-N 0 0 504.373 2.626 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000003440100 552387185 /nfs/dbraw/zinc/38/71/85/552387185.db2.gz MDULEIVHCAWNNA-UHFFFAOYSA-N 0 0 551.650 2.976 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4Cl)C3=O)CC2)cc1 ZINC000003440743 552387209 /nfs/dbraw/zinc/38/72/09/552387209.db2.gz RTAJDICSMGSGET-QHCPKHFHSA-N 0 0 539.441 2.602 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(Cl)cc4Cl)C3=O)CC2)cc1 ZINC000003440746 552387186 /nfs/dbraw/zinc/38/71/86/552387186.db2.gz RTAJDICSMGSGET-HSZRJFAPSA-N 0 0 539.441 2.602 50 0 KFAARN CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003442598 552387705 /nfs/dbraw/zinc/38/77/05/552387705.db2.gz LJOQDSUIZYLXDP-FQEVSTJZSA-N 0 0 534.363 2.866 50 0 KFAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC000003444337 552387986 /nfs/dbraw/zinc/38/79/86/552387986.db2.gz WXDKNRJMVSPHOL-IBGZPJMESA-N 0 0 516.403 2.506 50 0 KFAARN CCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(Br)cc2Br)c(=O)[nH]c1=O ZINC000003446354 552388275 /nfs/dbraw/zinc/38/82/75/552388275.db2.gz HUYGJKJFBGXDOM-UHFFFAOYSA-N 0 0 548.232 2.502 50 0 KFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O ZINC000003448615 552388511 /nfs/dbraw/zinc/38/85/11/552388511.db2.gz GPPYNFUOANPQHW-QFIPXVFZSA-N 0 0 506.968 2.652 50 0 KFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O ZINC000003448618 552388548 /nfs/dbraw/zinc/38/85/48/552388548.db2.gz GPPYNFUOANPQHW-JOCHJYFZSA-N 0 0 506.968 2.652 50 0 KFAARN COc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2ccccc2)cc1Cl ZINC000003450663 552388833 /nfs/dbraw/zinc/38/88/33/552388833.db2.gz WYPRRECOYLYYBV-UHFFFAOYSA-N 0 0 512.979 2.551 50 0 KFAARN O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003452365 552389141 /nfs/dbraw/zinc/38/91/41/552389141.db2.gz JQJPDXQWDQHEKI-UHFFFAOYSA-N 0 0 501.502 2.828 50 0 KFAARN COC[C@H](C)n1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003453432 552389097 /nfs/dbraw/zinc/38/90/97/552389097.db2.gz BRJLIOTVDIVNDI-ROUUACIJSA-N 0 0 546.671 2.744 50 0 KFAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003453436 552389166 /nfs/dbraw/zinc/38/91/66/552389166.db2.gz BRJLIOTVDIVNDI-MSOLQXFVSA-N 0 0 546.671 2.744 50 0 KFAARN COC[C@H](C)n1c(=O)c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003453439 552389118 /nfs/dbraw/zinc/38/91/18/552389118.db2.gz BRJLIOTVDIVNDI-ZWKOTPCHSA-N 0 0 546.671 2.744 50 0 KFAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003453443 552389434 /nfs/dbraw/zinc/38/94/34/552389434.db2.gz BRJLIOTVDIVNDI-QZTJIDSGSA-N 0 0 546.671 2.744 50 0 KFAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)o1 ZINC000003455999 552389430 /nfs/dbraw/zinc/38/94/30/552389430.db2.gz UJGYKRLHGKKUJB-ACCUITESSA-N 0 0 531.569 2.979 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000003525515 552390721 /nfs/dbraw/zinc/39/07/21/552390721.db2.gz GAPDHMOCINCKEH-SFHVURJKSA-N 0 0 514.604 2.699 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000003525517 552390699 /nfs/dbraw/zinc/39/06/99/552390699.db2.gz GAPDHMOCINCKEH-GOSISDBHSA-N 0 0 514.604 2.699 50 0 KFAARN Cc1cccc(N(CCOC(=O)CN2C(=O)c3ccccc3C2=O)C2=NS(=O)(=O)c3ccccc32)c1 ZINC000003583511 552391231 /nfs/dbraw/zinc/39/12/31/552391231.db2.gz KHAOWHKVBBQZEY-UHFFFAOYSA-N 0 0 503.536 2.790 50 0 KFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCSc2nnnn2-c2ccccc2)cc1OC ZINC000003612435 552392160 /nfs/dbraw/zinc/39/21/60/552392160.db2.gz CMWMSOLDVLCIBK-QHCPKHFHSA-N 0 0 580.692 2.704 50 0 KFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCSc2nnnn2-c2ccccc2)cc1OC ZINC000003612440 552392006 /nfs/dbraw/zinc/39/20/06/552392006.db2.gz CMWMSOLDVLCIBK-HSZRJFAPSA-N 0 0 580.692 2.704 50 0 KFAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621754 552394431 /nfs/dbraw/zinc/39/44/31/552394431.db2.gz RPVDCEXCNPZTKX-DQEYMECFSA-N 0 0 526.586 2.997 50 0 biogenic KFAARN COc1ccc([C@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621755 552394423 /nfs/dbraw/zinc/39/44/23/552394423.db2.gz RPVDCEXCNPZTKX-RPBOFIJWSA-N 0 0 526.586 2.997 50 0 biogenic KFAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621758 552394427 /nfs/dbraw/zinc/39/44/27/552394427.db2.gz RPVDCEXCNPZTKX-LOSJGSFVSA-N 0 0 526.586 2.997 50 0 biogenic KFAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621760 552394410 /nfs/dbraw/zinc/39/44/10/552394410.db2.gz RPVDCEXCNPZTKX-JWQCQUIFSA-N 0 0 526.586 2.997 50 0 biogenic KFAARN COc1ccc(CCN2C(=O)N[C@](NS(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1OC ZINC000003626786 552395833 /nfs/dbraw/zinc/39/58/33/552395833.db2.gz JIFMMPVLJWSYQI-LJQANCHMSA-N 0 0 521.901 2.893 50 0 KFAARN COc1ccc(CCN2C(=O)N[C@@](NS(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1OC ZINC000003626788 552395793 /nfs/dbraw/zinc/39/57/93/552395793.db2.gz JIFMMPVLJWSYQI-IBGZPJMESA-N 0 0 521.901 2.893 50 0 KFAARN Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2nccs2)c1 ZINC000003632429 552397982 /nfs/dbraw/zinc/39/79/82/552397982.db2.gz WYAGMMYWUUHXMD-UHFFFAOYSA-N 0 0 571.710 2.943 50 0 KFAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2cccc(C)c2)s1 ZINC000003632432 552397956 /nfs/dbraw/zinc/39/79/56/552397956.db2.gz JTYOIMXMRZILFJ-UHFFFAOYSA-N 0 0 586.725 2.647 50 0 KFAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2nccs2)c1 ZINC000003632714 552398548 /nfs/dbraw/zinc/39/85/48/552398548.db2.gz FCRYGBMCABOPST-UHFFFAOYSA-N 0 0 500.562 2.995 50 0 KFAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2nnc(C)s2)c1 ZINC000003632717 552398473 /nfs/dbraw/zinc/39/84/73/552398473.db2.gz FHAWVEVBHHOSLR-UHFFFAOYSA-N 0 0 515.577 2.698 50 0 KFAARN CCOC(=O)N1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccc(OCC)cc2)SCC3)CC1 ZINC000003632770 552398693 /nfs/dbraw/zinc/39/86/93/552398693.db2.gz BKDXTXKBQZSZKX-UHFFFAOYSA-N 0 0 504.634 2.672 50 0 KFAARN O=S(=O)(NCc1ccco1)c1ccc2c(c1)C(O)c1cc(S(=O)(=O)NCc3ccco3)ccc1-2 ZINC000003635867 552399138 /nfs/dbraw/zinc/39/91/38/552399138.db2.gz SFIUGJVDLKJRLR-UHFFFAOYSA-N 0 0 500.554 2.892 50 0 KFAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCCCC4)c3c2=O)c(OC)c1 ZINC000003650325 552402046 /nfs/dbraw/zinc/40/20/46/552402046.db2.gz UOVIJTSRMQDRQY-UHFFFAOYSA-N 0 0 506.606 2.597 50 0 KFAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCCCC4)c3c2=O)cc1OC ZINC000003650331 552401997 /nfs/dbraw/zinc/40/19/97/552401997.db2.gz QQPYXQRUKQUBFR-UHFFFAOYSA-N 0 0 506.606 2.597 50 0 KFAARN COc1cc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCCCC4)c3c2=O)cc(OC)c1OC 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/nfs/dbraw/zinc/40/22/59/552402259.db2.gz PCRNXPUEWOHBRT-UHFFFAOYSA-N 0 0 550.659 2.852 50 0 KFAARN Cc1sc2ncn(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000003650590 552402448 /nfs/dbraw/zinc/40/24/48/552402448.db2.gz WXEVKGPQTUVRKF-UHFFFAOYSA-N 0 0 547.678 2.675 50 0 KFAARN COc1ccccc1CNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O ZINC000003650594 552402439 /nfs/dbraw/zinc/40/24/39/552402439.db2.gz YNIZWVBXLUYDIS-UHFFFAOYSA-N 0 0 504.634 2.512 50 0 KFAARN Cc1sc2ncn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000003650596 552402452 /nfs/dbraw/zinc/40/24/52/552402452.db2.gz HVQRCIIHYIRUKB-UHFFFAOYSA-N 0 0 529.688 2.536 50 0 KFAARN COC(=O)c1ccccc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O ZINC000003650602 552402500 /nfs/dbraw/zinc/40/25/00/552402500.db2.gz FIVDCSLBALWPJU-UHFFFAOYSA-N 0 0 518.617 2.612 50 0 KFAARN COc1ccc(CCNC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCC(C)CC4)c3c2=O)cc1OC ZINC000003650610 552402444 /nfs/dbraw/zinc/40/24/44/552402444.db2.gz 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O=C(CN(Cc1ccc(F)cc1)C(=O)CN1C(=O)C(=O)c2ccccc21)Nc1ccc(N2CCOCC2)cc1 ZINC000003771353 552416534 /nfs/dbraw/zinc/41/65/34/552416534.db2.gz KCSWQFILZHFEHP-UHFFFAOYSA-N 0 0 530.556 2.859 50 0 KFAARN CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c1ncnc2N)OCOC(=O)C(C)(C)C ZINC000003930376 552422805 /nfs/dbraw/zinc/42/28/05/552422805.db2.gz WOZSCQDILHKSGG-UHFFFAOYSA-N 0 0 501.477 2.703 50 0 fda KFAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000003958567 552423876 /nfs/dbraw/zinc/42/38/76/552423876.db2.gz XUKYDTJQAOQVGL-UHFFFAOYSA-N 0 0 510.506 2.936 50 0 KFAARN O=S(=O)(c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000004005973 552425800 /nfs/dbraw/zinc/42/58/00/552425800.db2.gz XOXIQJIFNXKJJG-UHFFFAOYSA-N 0 0 512.675 2.869 50 0 KFAARN CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C ZINC000004015575 552426764 /nfs/dbraw/zinc/42/67/64/552426764.db2.gz JMQNNNWOMOJVBU-OCBJUFRSSA-N 0 0 660.768 2.962 50 0 KFAARN 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ZINC000005313219 552496799 /nfs/dbraw/zinc/49/67/99/552496799.db2.gz FMQOUCPNUBQDPQ-UHFFFAOYSA-N 0 0 630.756 2.530 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCNCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000005539106 552504131 /nfs/dbraw/zinc/50/41/31/552504131.db2.gz DSXJEODHPCMQEG-UHFFFAOYSA-N 0 0 634.846 2.588 50 0 KFAARN O=C(CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)NCC(=O)OCc1ccccc1 ZINC000005706748 552507212 /nfs/dbraw/zinc/50/72/12/552507212.db2.gz FEUOJOHXGXZYBX-SANMLTNESA-N 0 0 542.592 2.981 50 0 KFAARN CCCCn1c(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006095167 552534246 /nfs/dbraw/zinc/53/42/46/552534246.db2.gz MKCUOTMCSUTXNW-CJAUYULYSA-N 0 0 517.652 2.858 50 0 KFAARN CCCCn1c(CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006095170 552534251 /nfs/dbraw/zinc/53/42/51/552534251.db2.gz MKCUOTMCSUTXNW-AVRWGWEMSA-N 0 0 517.652 2.858 50 0 KFAARN CCCCn1c(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006095174 552534271 /nfs/dbraw/zinc/53/42/71/552534271.db2.gz MKCUOTMCSUTXNW-BVZFJXPGSA-N 0 0 517.652 2.858 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)Nc1c(F)cccc1F)n2C ZINC000006095200 552534252 /nfs/dbraw/zinc/53/42/52/552534252.db2.gz PCYCWSGDNSSHCC-UHFFFAOYSA-N 0 0 508.547 2.997 50 0 KFAARN CC(C)C(NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)C(C)C ZINC000006133919 552535445 /nfs/dbraw/zinc/53/54/45/552535445.db2.gz NKLWZMDOGSSGDK-QFIPXVFZSA-N 0 0 507.678 2.547 50 0 KFAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000006137111 1059552827 /nfs/dbraw/zinc/55/28/27/1059552827.db2.gz MINBWJJCFWPXNH-OWBBTNHHSA-N 0 0 521.567 2.971 50 0 KFAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(NS(=O)(=O)/C=C/c3ccccc3)c2)cc1 ZINC000006144250 552545831 /nfs/dbraw/zinc/54/58/31/552545831.db2.gz MARQPAHAVLUAGA-BUHFOSPRSA-N 0 0 515.569 2.542 50 0 KFAARN CC(C)[C@H](OC(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)NC(N)=O ZINC000006144759 552547294 /nfs/dbraw/zinc/54/72/94/552547294.db2.gz MSJQSRLXWORBPZ-SFHVURJKSA-N 0 0 501.483 2.811 50 0 KFAARN CC(C)[C@@H](OC(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)NC(N)=O ZINC000006144761 552547251 /nfs/dbraw/zinc/54/72/51/552547251.db2.gz MSJQSRLXWORBPZ-GOSISDBHSA-N 0 0 501.483 2.811 50 0 KFAARN CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc2ccccc21 ZINC000006149681 552550898 /nfs/dbraw/zinc/55/08/98/552550898.db2.gz HKUMEDOYHUAFKV-SFHVURJKSA-N 0 0 526.615 2.842 50 0 KFAARN CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc2ccccc21 ZINC000006149682 552550940 /nfs/dbraw/zinc/55/09/40/552550940.db2.gz HKUMEDOYHUAFKV-GOSISDBHSA-N 0 0 526.615 2.842 50 0 KFAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000006153578 552552099 /nfs/dbraw/zinc/55/20/99/552552099.db2.gz SDJOSTPUNDOXDH-UHFFFAOYSA-N 0 0 543.671 2.933 50 0 KFAARN C[C@@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2C1=O ZINC000006166166 552556670 /nfs/dbraw/zinc/55/66/70/552556670.db2.gz UUMFUJHVEFEZMQ-KRWDZBQOSA-N 0 0 529.505 2.649 50 0 KFAARN C[C@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2C1=O ZINC000006166167 552556615 /nfs/dbraw/zinc/55/66/15/552556615.db2.gz UUMFUJHVEFEZMQ-QGZVFWFLSA-N 0 0 529.505 2.649 50 0 KFAARN COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)C(=O)OCC(=O)Nc2ccc(OC)cc2)C3=O)cc1 ZINC000006166168 552556677 /nfs/dbraw/zinc/55/66/77/552556677.db2.gz SNZUPFORBJPTLN-KRWDZBQOSA-N 0 0 589.557 2.666 50 0 KFAARN COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)C(=O)OCC(=O)Nc2ccc(OC)cc2)C3=O)cc1 ZINC000006166169 552556587 /nfs/dbraw/zinc/55/65/87/552556587.db2.gz SNZUPFORBJPTLN-QGZVFWFLSA-N 0 0 589.557 2.666 50 0 KFAARN COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCC(=O)Nc1ccccc1OC)C2=O ZINC000006166181 552556661 /nfs/dbraw/zinc/55/66/61/552556661.db2.gz YNCAPSAFYNKZOX-KRWDZBQOSA-N 0 0 589.557 2.666 50 0 KFAARN COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCC(=O)Nc1ccccc1OC)C2=O ZINC000006166182 552556605 /nfs/dbraw/zinc/55/66/05/552556605.db2.gz YNCAPSAFYNKZOX-QGZVFWFLSA-N 0 0 589.557 2.666 50 0 KFAARN C[C@@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3F)cc2C1=O ZINC000006166184 552556680 /nfs/dbraw/zinc/55/66/80/552556680.db2.gz VLXFLHMEYJYYBG-HNNXBMFYSA-N 0 0 565.485 2.927 50 0 KFAARN C[C@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3F)cc2C1=O ZINC000006166185 552556672 /nfs/dbraw/zinc/55/66/72/552556672.db2.gz VLXFLHMEYJYYBG-OAHLLOKOSA-N 0 0 565.485 2.927 50 0 KFAARN COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCOCC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000006181026 552561304 /nfs/dbraw/zinc/56/13/04/552561304.db2.gz QCFMCZBDWFPPKE-IRLDBZIGSA-N 0 0 564.664 2.754 50 0 KFAARN CCN(Cc1ccccc1)C(=O)c1cnc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1O ZINC000006181050 552561172 /nfs/dbraw/zinc/56/11/72/552561172.db2.gz UQUXQYXNTNUHTK-UHFFFAOYSA-N 0 0 511.600 2.718 50 0 KFAARN CCOc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)N3CCC4(CC3)OCCO4)c(O)c2c1 ZINC000006181173 552561196 /nfs/dbraw/zinc/56/11/96/552561196.db2.gz COGMQMGOSFFEEJ-UHFFFAOYSA-N 0 0 527.599 2.731 50 0 KFAARN CCOC(=O)N1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N(C)c4ccc(CC)cc4)cc3c2O)CC1 ZINC000006181208 552561256 /nfs/dbraw/zinc/56/12/56/552561256.db2.gz JHHHOPVSAJAPJM-UHFFFAOYSA-N 0 0 526.615 2.830 50 0 KFAARN COCCN(CCOC)C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1O ZINC000006181231 552561124 /nfs/dbraw/zinc/56/11/24/552561124.db2.gz BUVPRAGEAOGNFB-UHFFFAOYSA-N 0 0 507.996 2.742 50 0 KFAARN COCCN(CCOC)C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1O ZINC000006181241 552561142 /nfs/dbraw/zinc/56/11/42/552561142.db2.gz XXBWXALMQKTSTP-UHFFFAOYSA-N 0 0 552.447 2.851 50 0 KFAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ncc(C(=O)N3CCC4(CC3)OCCO4)c(O)c2c1 ZINC000006181249 552561762 /nfs/dbraw/zinc/56/17/62/552561762.db2.gz WTXHYCKTXIFHDQ-UHFFFAOYSA-N 0 0 517.991 2.986 50 0 KFAARN Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N4CCC5(CC4)OCCO5)c(O)c3c2)c1 ZINC000006181338 552561745 /nfs/dbraw/zinc/56/17/45/552561745.db2.gz DKIWVULNFXHGLU-UHFFFAOYSA-N 0 0 511.600 2.949 50 0 KFAARN CCOC(=O)N1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N(CC)c4ccc(F)cc4)cc3c2O)CC1 ZINC000006181356 552561670 /nfs/dbraw/zinc/56/16/70/552561670.db2.gz REUSUGLWDYTWBN-UHFFFAOYSA-N 0 0 530.578 2.797 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)C[S@@](=O)C3)cc1 ZINC000006184126 552562585 /nfs/dbraw/zinc/56/25/85/552562585.db2.gz DBWBDWXUGGEIBL-MGBGTMOVSA-N 0 0 502.618 2.926 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)C[S@](=O)C3)cc1 ZINC000006184128 552562556 /nfs/dbraw/zinc/56/25/56/552562556.db2.gz DBWBDWXUGGEIBL-XIFFEERXSA-N 0 0 502.618 2.926 50 0 KFAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCC4)cc2)C[S@](=O)C3)cc1 ZINC000006184148 552562984 /nfs/dbraw/zinc/56/29/84/552562984.db2.gz OKDOLXMSNMKWJO-MGBGTMOVSA-N 0 0 500.602 2.680 50 0 KFAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCC4)cc2)C[S@@](=O)C3)cc1 ZINC000006184149 552562920 /nfs/dbraw/zinc/56/29/20/552562920.db2.gz OKDOLXMSNMKWJO-XIFFEERXSA-N 0 0 500.602 2.680 50 0 KFAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006208146 552570467 /nfs/dbraw/zinc/57/04/67/552570467.db2.gz BWCSDXZXQRQGPJ-MGBGTMOVSA-N 0 0 521.020 2.561 50 0 KFAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006208147 552570500 /nfs/dbraw/zinc/57/05/00/552570500.db2.gz BWCSDXZXQRQGPJ-XIFFEERXSA-N 0 0 521.020 2.561 50 0 KFAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)C[S@](=O)C3)c1C ZINC000006208153 552570702 /nfs/dbraw/zinc/57/07/02/552570702.db2.gz WDWNBEHJCQNBBC-UUWRZZSWSA-N 0 0 514.629 2.525 50 0 KFAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)C[S@@](=O)C3)c1C ZINC000006208154 552570618 /nfs/dbraw/zinc/57/06/18/552570618.db2.gz WDWNBEHJCQNBBC-UMSFTDKQSA-N 0 0 514.629 2.525 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006225751 193872054 /nfs/dbraw/zinc/87/20/54/193872054.db2.gz RECUFJCOIKJSRE-YLVTVWEBSA-N 0 0 538.578 2.553 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000006225770 552570599 /nfs/dbraw/zinc/57/05/99/552570599.db2.gz RECUFJCOIKJSRE-KIHONOKQSA-N 0 0 538.578 2.553 50 0 KFAARN O=C(NC1CC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000006235133 552571822 /nfs/dbraw/zinc/57/18/22/552571822.db2.gz XMTZAUCZFOMKMC-QUCCMNQESA-N 0 0 562.648 2.936 50 0 KFAARN Cc1nnc2nc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n(-c3ccc(C)c(Cl)c3)c(N)c1-2 ZINC000006296608 552579042 /nfs/dbraw/zinc/57/90/42/552579042.db2.gz USLNTPJSVPMINF-UHFFFAOYSA-N 0 0 546.078 2.597 50 0 KFAARN Cc1nnc2nc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n(-c3cccc(Cl)c3C)c(N)c1-2 ZINC000006296615 552578983 /nfs/dbraw/zinc/57/89/83/552578983.db2.gz PVWMOMNLHGIROK-UHFFFAOYSA-N 0 0 546.078 2.597 50 0 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/nfs/dbraw/zinc/13/93/43/553139343.db2.gz LZNKWWOTCRDRAL-MWKGPOOMSA-N 0 0 538.695 2.865 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000008767085 553139398 /nfs/dbraw/zinc/13/93/98/553139398.db2.gz LZNKWWOTCRDRAL-VGBYGFDOSA-N 0 0 538.695 2.865 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000008767203 553139793 /nfs/dbraw/zinc/13/97/93/553139793.db2.gz SSEAWUDNDBCLEU-YVVITCHPSA-N 0 0 520.655 2.876 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000008767207 553139752 /nfs/dbraw/zinc/13/97/52/553139752.db2.gz SSEAWUDNDBCLEU-GJISQHIDSA-N 0 0 520.655 2.876 50 0 KFAARN CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(N5CCN(C)CC5)o4)c(=O)n32)cc1OCC ZINC000008767211 553139796 /nfs/dbraw/zinc/13/97/96/553139796.db2.gz DBFXIMVGZSPFKC-LMTOTAIGSA-N 0 0 566.680 2.550 50 0 KFAARN CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(N5CCN(C)CC5)o4)c(=O)n32)cc1OCC ZINC000008767215 553139741 /nfs/dbraw/zinc/13/97/41/553139741.db2.gz DBFXIMVGZSPFKC-FGSNJIQSSA-N 0 0 566.680 2.550 50 0 KFAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=NC(=O)c1ccc(OC)cc1 ZINC000008767298 1059555333 /nfs/dbraw/zinc/55/53/33/1059555333.db2.gz DVVUHIJTFIOHRB-UHFFFAOYSA-N 0 0 504.543 2.921 50 0 KFAARN COc1cc([C@@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O ZINC000008767380 553139765 /nfs/dbraw/zinc/13/97/65/553139765.db2.gz VESUMBFJRABQSF-XPWALMASSA-N 0 0 506.511 2.889 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000008767702 553139802 /nfs/dbraw/zinc/13/98/02/553139802.db2.gz AZDGFMUXQLYLOG-JGTYQCAFSA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)c1sc(NC(=O)Cn2c(=O)cc(CC)nc2-n2nc(C)cc2C)c(C(=O)OCC)c1C ZINC000008768944 553140179 /nfs/dbraw/zinc/14/01/79/553140179.db2.gz USIBIJGUNNRSGE-UHFFFAOYSA-N 0 0 515.592 2.970 50 0 KFAARN COc1ccc(-n2nc(C(=O)N3CCCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3C)s2)cc1 ZINC000008770522 553140674 /nfs/dbraw/zinc/14/06/74/553140674.db2.gz RUUQCQPXHPDHKC-RWEWTDSWSA-N 0 0 507.551 2.948 50 0 KFAARN NC(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3-c3ccccc3)s2)cc1 ZINC000008770580 553141036 /nfs/dbraw/zinc/14/10/36/553141036.db2.gz FDFQKWMKAZJVLD-BLCKFSMSSA-N 0 0 598.620 2.633 50 0 KFAARN COc1cc(C(=O)/N=c2\sn(-c3ccc(Cl)cc3)nc2C(=O)N2CCOCC2)cc(OC)c1OC ZINC000008770699 553141001 /nfs/dbraw/zinc/14/10/01/553141001.db2.gz CZRMWMASLNBZJU-LVWGJNHUSA-N 0 0 518.979 2.827 50 0 KFAARN Cc1c(C(=O)/N=c2\sn(-c3ccc(Cl)cc3)nc2C(=O)N2CCOCC2)nnn1-c1ccc(F)cc1 ZINC000008770704 553141023 /nfs/dbraw/zinc/14/10/23/553141023.db2.gz SEULXSPXQCHCFF-ROMGYVFFSA-N 0 0 527.969 2.829 50 0 KFAARN CCOC(=O)c1ccc(N2C(=O)C=C(NC3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000008771791 553141270 /nfs/dbraw/zinc/14/12/70/553141270.db2.gz DQEOVWZPWAQQKI-UHFFFAOYSA-N 0 0 517.991 2.717 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000008774311 553142062 /nfs/dbraw/zinc/14/20/62/553142062.db2.gz ULHQDXPIXNFKMM-UHFFFAOYSA-N 0 0 567.620 2.720 50 0 KFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000008774528 553142018 /nfs/dbraw/zinc/14/20/18/553142018.db2.gz YKIWOGRTYNAFIO-QFIPXVFZSA-N 0 0 507.568 2.792 50 0 KFAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000008774852 553142380 /nfs/dbraw/zinc/14/23/80/553142380.db2.gz ISOPBXSSACDUNQ-XVNBXDOJSA-N 0 0 512.943 2.704 50 0 KFAARN C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000008788773 553145003 /nfs/dbraw/zinc/14/50/03/553145003.db2.gz HQEHABLFHCPQHP-BWGLVEIYSA-N 0 0 525.436 2.844 50 0 biogenic KFAARN Cc1ccnc(SCCn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000008794681 553147990 /nfs/dbraw/zinc/14/79/90/553147990.db2.gz HTDSXWGUKHSYTM-UHFFFAOYSA-N 0 0 505.648 2.784 50 0 KFAARN COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2N2CCOCC2)cc1 ZINC000008811779 553149280 /nfs/dbraw/zinc/14/92/80/553149280.db2.gz XJZWZWMJMYFBSG-UHFFFAOYSA-N 0 0 525.583 2.991 50 0 KFAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cc21)NCc1ccc2c(c1)OCO2 ZINC000008812352 553149932 /nfs/dbraw/zinc/14/99/32/553149932.db2.gz VQPQWLRGMWMKCQ-UHFFFAOYSA-N 0 0 517.629 2.735 50 0 KFAARN CCN(CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)c1ccccc1 ZINC000008812726 553150032 /nfs/dbraw/zinc/15/00/32/553150032.db2.gz MQKCYGFWNJOSIR-UHFFFAOYSA-N 0 0 516.689 2.943 50 0 KFAARN CCN(CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)c1ccccc1 ZINC000008812800 553150377 /nfs/dbraw/zinc/15/03/77/553150377.db2.gz QKYHYMQDSKATAX-UHFFFAOYSA-N 0 0 502.662 2.553 50 0 KFAARN CCN(CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)c1ccccc1 ZINC000008814024 553151341 /nfs/dbraw/zinc/15/13/41/553151341.db2.gz NRZUVFLFLAMDOE-UHFFFAOYSA-N 0 0 516.689 2.943 50 0 KFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000008815798 553151669 /nfs/dbraw/zinc/15/16/69/553151669.db2.gz MZRNAFVUVUOSDE-UHFFFAOYSA-N 0 0 505.961 2.924 50 0 KFAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)cc1 ZINC000008815834 553151842 /nfs/dbraw/zinc/15/18/42/553151842.db2.gz NLYSUQCLTTXRLU-UHFFFAOYSA-N 0 0 515.569 2.669 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000008818847 553153737 /nfs/dbraw/zinc/15/37/37/553153737.db2.gz UZNIHDSUZYKAIC-IGSWSUAKSA-N 0 0 520.563 2.649 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000008818848 553153704 /nfs/dbraw/zinc/15/37/04/553153704.db2.gz UZNIHDSUZYKAIC-YMSBRDKKSA-N 0 0 520.563 2.649 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000008818894 553153731 /nfs/dbraw/zinc/15/37/31/553153731.db2.gz WEEJNSCHMFIBGN-JKZHCRLBSA-N 0 0 513.575 2.727 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000008818895 553153735 /nfs/dbraw/zinc/15/37/35/553153735.db2.gz WEEJNSCHMFIBGN-QNMKSDMMSA-N 0 0 513.575 2.727 50 0 KFAARN O=C(Nc1nnc(CCOCCOCCc2nnc(NC(=O)c3ccco3)s2)s1)c1ccco1 ZINC000008828594 553157190 /nfs/dbraw/zinc/15/71/90/553157190.db2.gz RJCNKATULNIQMM-UHFFFAOYSA-N 0 0 504.550 2.899 50 0 KFAARN CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC(=O)NC3CCCCC3)c(C)cc2Cl)CC1 ZINC000008828709 553157232 /nfs/dbraw/zinc/15/72/32/553157232.db2.gz YVOGUFZWAXZRBU-UHFFFAOYSA-N 0 0 502.033 2.939 50 0 KFAARN COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000008828852 553157511 /nfs/dbraw/zinc/15/75/11/553157511.db2.gz ZOWGNBGICZZEQF-UHFFFAOYSA-N 0 0 506.621 2.804 50 0 KFAARN O=C(COC(=O)CCC(=O)c1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000008829703 553157935 /nfs/dbraw/zinc/15/79/35/553157935.db2.gz TXACISHFEZVCGF-UHFFFAOYSA-N 0 0 500.982 2.567 50 0 KFAARN O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1nc2ccccc2s1 ZINC000008830362 553157905 /nfs/dbraw/zinc/15/79/05/553157905.db2.gz PTQXPRASKXLNRC-UHFFFAOYSA-N 0 0 525.641 2.986 50 0 KFAARN COCCCNC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccc(C)cc3)cc2)c1=O ZINC000008830868 553158208 /nfs/dbraw/zinc/15/82/08/553158208.db2.gz OVOPIIKMQPINRL-UHFFFAOYSA-N 0 0 528.609 2.603 50 0 KFAARN COc1cc(C(=O)NCc2cccc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC ZINC000008846770 553166577 /nfs/dbraw/zinc/16/65/77/553166577.db2.gz DMBWRYJLADYFQW-UHFFFAOYSA-N 0 0 525.558 2.993 50 0 KFAARN CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000008856324 553167515 /nfs/dbraw/zinc/16/75/15/553167515.db2.gz DZVCIZYWXBFEKF-SZMVWBNQSA-N 0 0 512.726 2.944 50 0 KFAARN CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000008856326 553167580 /nfs/dbraw/zinc/16/75/80/553167580.db2.gz DZVCIZYWXBFEKF-JQHSSLGASA-N 0 0 512.726 2.944 50 0 KFAARN COc1cc([C@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O ZINC000008856574 553167498 /nfs/dbraw/zinc/16/74/98/553167498.db2.gz VESUMBFJRABQSF-RJGXRXQPSA-N 0 0 506.511 2.889 50 0 KFAARN CCOC(=O)C(C=Nc1ccc2oc(=O)n(CCc3ccc(OC)c(OC)c3)c(=O)c2c1)C(=O)OCC ZINC000008857323 553168001 /nfs/dbraw/zinc/16/80/01/553168001.db2.gz XVDBHYLORYDCEL-UHFFFAOYSA-N 0 0 512.515 2.637 50 0 KFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1 ZINC000008857579 553168300 /nfs/dbraw/zinc/16/83/00/553168300.db2.gz QXYDGVIKLJYDTR-FGYAAKKASA-N 0 0 508.662 2.949 50 0 KFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1 ZINC000008857580 553168276 /nfs/dbraw/zinc/16/82/76/553168276.db2.gz QXYDGVIKLJYDTR-WTGUMLROSA-N 0 0 508.662 2.949 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008858218 553168845 /nfs/dbraw/zinc/16/88/45/553168845.db2.gz VBLLVOGFTHHTCY-YLVTVWEBSA-N 0 0 508.552 2.544 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008858219 553168880 /nfs/dbraw/zinc/16/88/80/553168880.db2.gz VBLLVOGFTHHTCY-KIHONOKQSA-N 0 0 508.552 2.544 50 0 KFAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccc(CC)cc2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008868487 553170758 /nfs/dbraw/zinc/17/07/58/553170758.db2.gz LOTOVMZRBRYLCU-QGZVFWFLSA-N 0 0 500.042 2.706 50 0 KFAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccc(CC)cc2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008868491 553170855 /nfs/dbraw/zinc/17/08/55/553170855.db2.gz LOTOVMZRBRYLCU-KRWDZBQOSA-N 0 0 500.042 2.706 50 0 KFAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008868627 553170819 /nfs/dbraw/zinc/17/08/19/553170819.db2.gz QCIVWIVGLVNSFT-QGZVFWFLSA-N 0 0 500.042 2.877 50 0 KFAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008868630 553170802 /nfs/dbraw/zinc/17/08/02/553170802.db2.gz QCIVWIVGLVNSFT-KRWDZBQOSA-N 0 0 500.042 2.877 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2NC(=O)c2ccncc2)cc1 ZINC000008869433 553171050 /nfs/dbraw/zinc/17/10/50/553171050.db2.gz JHKHBIMTCITLRX-OAQYLSRUSA-N 0 0 517.567 2.934 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2NC(=O)c2ccncc2)cc1 ZINC000008869435 553171084 /nfs/dbraw/zinc/17/10/84/553171084.db2.gz JHKHBIMTCITLRX-NRFANRHFSA-N 0 0 517.567 2.934 50 0 KFAARN COc1ccccc1N(C[C@@H](O)CN(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000008870948 553171671 /nfs/dbraw/zinc/17/16/71/553171671.db2.gz NUPWADPNDLOGSD-FQEVSTJZSA-N 0 0 504.630 2.881 50 0 KFAARN COc1ccccc1N(C[C@H](O)CN(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000008870949 553171737 /nfs/dbraw/zinc/17/17/37/553171737.db2.gz NUPWADPNDLOGSD-HXUWFJFHSA-N 0 0 504.630 2.881 50 0 KFAARN O=C(CCN1C(=O)/C(=C\c2ccc(N(CCBr)CCBr)cc2)SC1=S)ON(CCO)CCO ZINC000008872268 553172952 /nfs/dbraw/zinc/17/29/52/553172952.db2.gz HPNGXAQKODDFMV-OBGWFSINSA-N 0 0 625.405 2.619 50 0 KFAARN CC1(C)[C@H](C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N2C(=O)C[C@@H]2S1(=O)=O ZINC000008876514 553175370 /nfs/dbraw/zinc/17/53/70/553175370.db2.gz XSASMXYTKLTUCW-VXKWHMMOSA-N 0 0 519.664 2.894 50 0 biogenic KFAARN CC1(C)[C@@H](C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N2C(=O)C[C@@H]2S1(=O)=O ZINC000008876515 553175364 /nfs/dbraw/zinc/17/53/64/553175364.db2.gz XSASMXYTKLTUCW-FCHUYYIVSA-N 0 0 519.664 2.894 50 0 biogenic KFAARN CC1(C)[C@H](C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N2C(=O)C[C@H]2S1(=O)=O ZINC000008876517 553175397 /nfs/dbraw/zinc/17/53/97/553175397.db2.gz XSASMXYTKLTUCW-YADHBBJMSA-N 0 0 519.664 2.894 50 0 biogenic KFAARN CC1(C)[C@@H](C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N2C(=O)C[C@H]2S1(=O)=O ZINC000008876518 553175319 /nfs/dbraw/zinc/17/53/19/553175319.db2.gz XSASMXYTKLTUCW-FGZHOGPDSA-N 0 0 519.664 2.894 50 0 biogenic KFAARN CCn1cc(C(=O)N[C@@H](CCSC)C(=O)NCCc2ccc(O)cc2)c(=O)c2cc3c(cc21)OCO3 ZINC000008878963 553175972 /nfs/dbraw/zinc/17/59/72/553175972.db2.gz NUCUFXJQMPVBSL-FQEVSTJZSA-N 0 0 511.600 2.666 50 0 biogenic KFAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)CN(C)CC2 ZINC000008880762 553175980 /nfs/dbraw/zinc/17/59/80/553175980.db2.gz XEWAWVPHUYHRCI-GASCZTMLSA-N 0 0 507.634 2.573 50 0 KFAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc1)CN(C)CC2 ZINC000008880766 553175897 /nfs/dbraw/zinc/17/58/97/553175897.db2.gz XEWAWVPHUYHRCI-GJZGRUSLSA-N 0 0 507.634 2.573 50 0 KFAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc1)CN(C)CC2 ZINC000008880769 553175928 /nfs/dbraw/zinc/17/59/28/553175928.db2.gz XEWAWVPHUYHRCI-HUUCEWRRSA-N 0 0 507.634 2.573 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000008895980 553178566 /nfs/dbraw/zinc/17/85/66/553178566.db2.gz AROKVTIUZSXWQF-UHFFFAOYSA-N 0 0 504.572 2.692 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000008897248 553179311 /nfs/dbraw/zinc/17/93/11/553179311.db2.gz UOQTVAJSQRZUKL-UHFFFAOYSA-N 0 0 504.572 2.692 50 0 KFAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 ZINC000008902127 553182578 /nfs/dbraw/zinc/18/25/78/553182578.db2.gz MHLHSUWBAJJXRP-UHFFFAOYSA-N 0 0 511.535 2.581 50 0 KFAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000008902154 553182569 /nfs/dbraw/zinc/18/25/69/553182569.db2.gz YASNMDGGNCMGIX-UHFFFAOYSA-N 0 0 508.535 2.523 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000008902158 553182552 /nfs/dbraw/zinc/18/25/52/553182552.db2.gz PKYQTJHSZNQNSL-UHFFFAOYSA-N 0 0 508.535 2.523 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3cccc(F)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000008902457 553182755 /nfs/dbraw/zinc/18/27/55/553182755.db2.gz QKYWSUZVFDSSDO-UHFFFAOYSA-N 0 0 508.535 2.523 50 0 KFAARN Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3C)C2)C1 ZINC000008911991 553185082 /nfs/dbraw/zinc/18/50/82/553185082.db2.gz WCORBWJTRWHZJR-WMPKNSHKSA-N 0 0 526.703 2.905 50 0 KFAARN Cc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3C)C2)C1 ZINC000008911992 553185048 /nfs/dbraw/zinc/18/50/48/553185048.db2.gz WCORBWJTRWHZJR-UIOOFZCWSA-N 0 0 526.703 2.905 50 0 KFAARN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@H](O)C[C@@H]5C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000008917698 553187204 /nfs/dbraw/zinc/18/72/04/553187204.db2.gz KWFXBLQFMPZAOR-CPNWBUCJSA-N 0 0 512.647 2.821 50 0 biogenic KFAARN Cc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000008918392 553188002 /nfs/dbraw/zinc/18/80/02/553188002.db2.gz MYHSTFYQUQCVIJ-UGKGYDQZSA-N 0 0 500.640 2.754 50 0 biogenic KFAARN C[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)NCc1ccc(F)cc1 ZINC000008918419 553188284 /nfs/dbraw/zinc/18/82/84/553188284.db2.gz WFFNAJNDHQVTSI-UWJYYQICSA-N 0 0 504.603 2.585 50 0 biogenic KFAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 ZINC000008918458 553188296 /nfs/dbraw/zinc/18/82/96/553188296.db2.gz BWMZOQRIRBIAQH-AVRDEDQJSA-N 0 0 518.655 2.604 50 0 biogenic KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000008920544 553189306 /nfs/dbraw/zinc/18/93/06/553189306.db2.gz NIXGMQSLNNQCRH-XOYGFPHKSA-N 0 0 520.563 2.510 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000008920549 553189299 /nfs/dbraw/zinc/18/92/99/553189299.db2.gz NIXGMQSLNNQCRH-YJADQXIJSA-N 0 0 520.563 2.510 50 0 KFAARN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(NC(=O)c4ccccc4)C3)cc2)c1 ZINC000008927395 553191767 /nfs/dbraw/zinc/19/17/67/553191767.db2.gz MGEUXRCOLUTIQF-OAQYLSRUSA-N 0 0 516.506 2.834 50 0 KFAARN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(NC(=O)c4ccccc4)C3)cc2)c1 ZINC000008927397 553191729 /nfs/dbraw/zinc/19/17/29/553191729.db2.gz MGEUXRCOLUTIQF-NRFANRHFSA-N 0 0 516.506 2.834 50 0 KFAARN COC1=C([C@H](c2cc(OC)c(OC(C)=O)c(OC)c2)c2cc3c(cc2OC(C)=O)OCO3)C(=O)OC1 ZINC000008952457 553194350 /nfs/dbraw/zinc/19/43/50/553194350.db2.gz HOYATAVCBCTIKQ-JOCHJYFZSA-N 0 0 500.456 2.872 50 0 KFAARN CCCNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1 ZINC000008952670 553194357 /nfs/dbraw/zinc/19/43/57/553194357.db2.gz WSXLBHUODQJZTO-MBSDFSHPSA-N 0 0 527.666 2.873 50 0 biogenic KFAARN CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008964872 553194747 /nfs/dbraw/zinc/19/47/47/553194747.db2.gz CMVRZAJBGVLZCI-NRFANRHFSA-N 0 0 507.543 2.884 50 0 biogenic KFAARN CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008964873 553194793 /nfs/dbraw/zinc/19/47/93/553194793.db2.gz CMVRZAJBGVLZCI-OAQYLSRUSA-N 0 0 507.543 2.884 50 0 biogenic KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1 ZINC000008964938 553194778 /nfs/dbraw/zinc/19/47/78/553194778.db2.gz CXQYWKSHDOTWCM-JGTYQCAFSA-N 0 0 520.563 2.649 50 0 KFAARN COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1ccc(C)c(S(=O)(=O)N3CCOCC3)c1)CC2 ZINC000008994608 553197038 /nfs/dbraw/zinc/19/70/38/553197038.db2.gz HCAFBYBMYUTYIA-SFHVURJKSA-N 0 0 503.621 2.591 50 0 KFAARN COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccc(C)c(S(=O)(=O)N3CCOCC3)c1)CC2 ZINC000008994610 553197095 /nfs/dbraw/zinc/19/70/95/553197095.db2.gz HCAFBYBMYUTYIA-GOSISDBHSA-N 0 0 503.621 2.591 50 0 KFAARN CCOC(=O)Cc1csc(NC(=O)c2cn(CC)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)n1 ZINC000008995775 553197259 /nfs/dbraw/zinc/19/72/59/553197259.db2.gz MYEHXRYDUJAXCX-UHFFFAOYSA-N 0 0 501.584 2.727 50 0 KFAARN C[C@@H]1CCc2c(sc3nc(SCC(=O)N[C@H]4CCS(=O)(=O)C4)n(-c4ccccc4)c(=O)c23)C1 ZINC000009003926 553197863 /nfs/dbraw/zinc/19/78/63/553197863.db2.gz JWIGEQIKEZAQMW-CABCVRRESA-N 0 0 503.671 2.967 50 0 KFAARN C[C@H]1CCc2c(sc3nc(SCC(=O)N[C@H]4CCS(=O)(=O)C4)n(-c4ccccc4)c(=O)c23)C1 ZINC000009003927 553197890 /nfs/dbraw/zinc/19/78/90/553197890.db2.gz JWIGEQIKEZAQMW-GJZGRUSLSA-N 0 0 503.671 2.967 50 0 KFAARN CN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)[C@@H]1CCS(=O)(=O)C1 ZINC000009003938 553197938 /nfs/dbraw/zinc/19/79/38/553197938.db2.gz IKNNFNMJWOMIKS-QGZVFWFLSA-N 0 0 517.698 2.927 50 0 KFAARN CN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)[C@H]1CCS(=O)(=O)C1 ZINC000009003939 553197881 /nfs/dbraw/zinc/19/78/81/553197881.db2.gz IKNNFNMJWOMIKS-KRWDZBQOSA-N 0 0 517.698 2.927 50 0 KFAARN COc1cc(/C=C\C(=O)NCCn2ncc3c2ncn(Cc2cccc(F)c2)c3=O)cc(OC)c1OC ZINC000009016689 553200752 /nfs/dbraw/zinc/20/07/52/553200752.db2.gz LSKMMFZHVUVJEB-FPLPWBNLSA-N 0 0 507.522 2.636 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000009041433 553202279 /nfs/dbraw/zinc/20/22/79/553202279.db2.gz LCYMZGIMYHTYLR-LJJBLSSYSA-N 0 0 522.579 2.741 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000009045469 553203555 /nfs/dbraw/zinc/20/35/55/553203555.db2.gz HTHXYSDHPJMABN-PZDOZLBDSA-N 0 0 512.971 2.996 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000009045475 553203559 /nfs/dbraw/zinc/20/35/59/553203559.db2.gz HTHXYSDHPJMABN-FNUHDPNESA-N 0 0 512.971 2.996 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000009046280 553203775 /nfs/dbraw/zinc/20/37/75/553203775.db2.gz QJCHMVXJORWPHH-NWKGEQBZSA-N 0 0 507.568 2.517 50 0 KFAARN CCn1cc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000009059814 553204906 /nfs/dbraw/zinc/20/49/06/553204906.db2.gz UJJICJQCFDUXHW-UHFFFAOYSA-N 0 0 501.543 2.762 50 0 KFAARN Cc1ccccc1OC[C@H](O)Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009089258 553209126 /nfs/dbraw/zinc/20/91/26/553209126.db2.gz NWTOMNJNTOXKHM-JOCHJYFZSA-N 0 0 503.603 2.631 50 0 KFAARN Cc1ccccc1OC[C@@H](O)Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009089259 553209163 /nfs/dbraw/zinc/20/91/63/553209163.db2.gz NWTOMNJNTOXKHM-QFIPXVFZSA-N 0 0 503.603 2.631 50 0 KFAARN Cc1cccc(OC[C@H](O)Cn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000009110787 553210084 /nfs/dbraw/zinc/21/00/84/553210084.db2.gz CGWNHZHCKQGTCY-JOCHJYFZSA-N 0 0 503.603 2.631 50 0 KFAARN Cc1cccc(OC[C@@H](O)Cn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000009110788 553210159 /nfs/dbraw/zinc/21/01/59/553210159.db2.gz CGWNHZHCKQGTCY-QFIPXVFZSA-N 0 0 503.603 2.631 50 0 KFAARN O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)N1CCCc2ccccc21 ZINC000009116653 553211563 /nfs/dbraw/zinc/21/15/63/553211563.db2.gz RCVVHZXWACZOCJ-UHFFFAOYSA-N 0 0 508.629 2.717 50 0 KFAARN O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1ccc(F)cc1F ZINC000009116666 553211509 /nfs/dbraw/zinc/21/15/09/553211509.db2.gz YIFWSPVRYUMVNZ-UHFFFAOYSA-N 0 0 504.544 2.654 50 0 KFAARN CCOc1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccccc4)n3n2)cc1 ZINC000009116669 553211561 /nfs/dbraw/zinc/21/15/61/553211561.db2.gz CYYVLAMFQFJKGB-UHFFFAOYSA-N 0 0 512.617 2.775 50 0 KFAARN CC(=O)c1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccccc4)n3n2)cc1 ZINC000009116671 553211527 /nfs/dbraw/zinc/21/15/27/553211527.db2.gz WDVDHTLFMNZGPE-UHFFFAOYSA-N 0 0 510.601 2.579 50 0 KFAARN O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)NCc1ccccc1Cl ZINC000009116675 553211514 /nfs/dbraw/zinc/21/15/14/553211514.db2.gz HFQIGUVPDAHCNY-UHFFFAOYSA-N 0 0 517.036 2.707 50 0 KFAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)N4CCc5ccccc54)nn32)cc1 ZINC000009116700 553211546 /nfs/dbraw/zinc/21/15/46/553211546.db2.gz DUVGHCSQKIGEFB-UHFFFAOYSA-N 0 0 508.629 2.635 50 0 KFAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccccc4F)nn32)cc1 ZINC000009116711 553211653 /nfs/dbraw/zinc/21/16/53/553211653.db2.gz ZDWOQSMXPAKUGL-UHFFFAOYSA-N 0 0 500.581 2.824 50 0 KFAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc(F)c4)nn32)cc1 ZINC000009116712 553211642 /nfs/dbraw/zinc/21/16/42/553211642.db2.gz JRSDPOJVFDIDDL-UHFFFAOYSA-N 0 0 500.581 2.824 50 0 KFAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(F)cc4)nn32)cc1 ZINC000009116713 553211684 /nfs/dbraw/zinc/21/16/84/553211684.db2.gz DVQDLBPACJLKQU-UHFFFAOYSA-N 0 0 500.581 2.824 50 0 KFAARN COc1ccccc1NC(=O)CSc1ccc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)n2n1 ZINC000009116716 553211682 /nfs/dbraw/zinc/21/16/82/553211682.db2.gz GBLMZNSSPHMIPR-UHFFFAOYSA-N 0 0 512.617 2.693 50 0 KFAARN COc1cccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)c1 ZINC000009116717 553211621 /nfs/dbraw/zinc/21/16/21/553211621.db2.gz UYDJRHOMHQOUME-UHFFFAOYSA-N 0 0 512.617 2.693 50 0 KFAARN COc1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)cc1 ZINC000009116718 553211692 /nfs/dbraw/zinc/21/16/92/553211692.db2.gz IWUNEKATGRABIX-UHFFFAOYSA-N 0 0 512.617 2.693 50 0 KFAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)NCc4ccc(F)cc4)nn32)cc1 ZINC000009116721 553211690 /nfs/dbraw/zinc/21/16/90/553211690.db2.gz ZLYSFZLTIJNDHV-UHFFFAOYSA-N 0 0 514.608 2.501 50 0 KFAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc(C)c4)nn32)cc1 ZINC000009116742 553211650 /nfs/dbraw/zinc/21/16/50/553211650.db2.gz HULDTAVMYNBWJS-UHFFFAOYSA-N 0 0 512.617 2.693 50 0 KFAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C)cc4)nn32)cc1 ZINC000009116743 553211631 /nfs/dbraw/zinc/21/16/31/553211631.db2.gz SWHIMDCWBIOSBR-UHFFFAOYSA-N 0 0 512.617 2.693 50 0 KFAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccccc4F)nn32)cc1 ZINC000009116744 553211644 /nfs/dbraw/zinc/21/16/44/553211644.db2.gz IAVHZSMRGGYPIK-UHFFFAOYSA-N 0 0 516.580 2.524 50 0 KFAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(F)cc4)nn32)cc1 ZINC000009116745 553211662 /nfs/dbraw/zinc/21/16/62/553211662.db2.gz OQUHWPGMUUFHKP-UHFFFAOYSA-N 0 0 516.580 2.524 50 0 KFAARN COc1ccc(C(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(OC)cc4)n3n2)cc1 ZINC000009116763 553211633 /nfs/dbraw/zinc/21/16/33/553211633.db2.gz UTIPPKBCKRNZBT-UHFFFAOYSA-N 0 0 513.601 2.638 50 0 KFAARN COc1ccc(CNC(=O)CCc2nnc3ccc(N4CCN(c5cccc(OC)c5)CC4)nn32)cc1 ZINC000009118781 553211883 /nfs/dbraw/zinc/21/18/83/553211883.db2.gz IQBDFXSKOZOHNX-UHFFFAOYSA-N 0 0 501.591 2.717 50 0 KFAARN COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)N5CCN(c6ccccc6)CC5)n4n3)CC2)c1 ZINC000009118786 553211915 /nfs/dbraw/zinc/21/19/15/553211915.db2.gz JGBRSQINIOEAIR-UHFFFAOYSA-N 0 0 526.645 2.741 50 0 KFAARN COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)NCc5ccccc5OC)n4n3)CC2)c1 ZINC000009118813 553211917 /nfs/dbraw/zinc/21/19/17/553211917.db2.gz RJDUQYQGHBWDLR-UHFFFAOYSA-N 0 0 501.591 2.717 50 0 KFAARN COc1cccc(CNC(=O)CCc2nnc3ccc(N4CCN(c5cccc(OC)c5)CC4)nn32)c1 ZINC000009118815 553211910 /nfs/dbraw/zinc/21/19/10/553211910.db2.gz HVUZLIFFECMMPY-UHFFFAOYSA-N 0 0 501.591 2.717 50 0 KFAARN COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)Nc5ccc6c(c5)OCO6)n4n3)CC2)c1 ZINC000009118817 553211901 /nfs/dbraw/zinc/21/19/01/553211901.db2.gz CILFOQWSRGQQFR-UHFFFAOYSA-N 0 0 501.547 2.760 50 0 KFAARN COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)Nc5ccc6c(c5)OCCO6)n4n3)CC2)c1 ZINC000009118834 553212140 /nfs/dbraw/zinc/21/21/40/553212140.db2.gz ADQFJZCTNCBYIR-UHFFFAOYSA-N 0 0 515.574 2.802 50 0 KFAARN COC(=O)c1ccc(NC(=O)CCc2nnc3ccc(N4CCN(c5cccc(OC)c5)CC4)nn32)cc1 ZINC000009118856 553212146 /nfs/dbraw/zinc/21/21/46/553212146.db2.gz NBLOENBZTPBALO-UHFFFAOYSA-N 0 0 515.574 2.817 50 0 KFAARN CCOC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CN(c3ccccc3OC)CCN21 ZINC000009129336 553213272 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/nfs/dbraw/zinc/21/43/27/553214327.db2.gz VGOPZBQBXRIFKT-KRWDZBQOSA-N 0 0 525.627 2.820 50 0 KFAARN CCOc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)[nH]n2)cc1 ZINC000009152300 553214330 /nfs/dbraw/zinc/21/43/30/553214330.db2.gz RNVPDQXMVWSELF-UHFFFAOYSA-N 0 0 500.577 2.639 50 0 KFAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(C(=O)c4ccco4)CC2)c2ccccc23)cc1 ZINC000009152444 553214470 /nfs/dbraw/zinc/21/44/70/553214470.db2.gz JWORGFQYCWNBBL-UHFFFAOYSA-N 0 0 502.556 2.974 50 0 KFAARN Cc1ccc(C)c(N2CCN(CCCNS(=O)(=O)c3ccc4oc(=O)c5ncn(C)c5c4c3)CC2)c1 ZINC000009153061 553214651 /nfs/dbraw/zinc/21/46/51/553214651.db2.gz LEXXAOGOPGMYIY-UHFFFAOYSA-N 0 0 509.632 2.787 50 0 KFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)cc2C[C@H]1C ZINC000009153338 553214637 /nfs/dbraw/zinc/21/46/37/553214637.db2.gz KJWZAWAKGRGHOD-LJQANCHMSA-N 0 0 528.650 2.873 50 0 KFAARN CCOc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)cc1 ZINC000009158161 553214943 /nfs/dbraw/zinc/21/49/43/553214943.db2.gz WYODKQCAPFNVJK-SFHVURJKSA-N 0 0 503.559 2.827 50 0 KFAARN CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)cc1 ZINC000009158162 553214938 /nfs/dbraw/zinc/21/49/38/553214938.db2.gz WYODKQCAPFNVJK-GOSISDBHSA-N 0 0 503.559 2.827 50 0 KFAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009158520 1059555362 /nfs/dbraw/zinc/55/53/62/1059555362.db2.gz LXAUETWASMBDSM-UHFFFAOYSA-N 0 0 519.514 2.820 50 0 KFAARN CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)NCCCO)ccc12 ZINC000009183753 553216825 /nfs/dbraw/zinc/21/68/25/553216825.db2.gz GQKUWPWYOOBXER-QFIPXVFZSA-N 0 0 512.628 2.959 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000009185804 553217443 /nfs/dbraw/zinc/21/74/43/553217443.db2.gz QJCHMVXJORWPHH-YOKWNPFVSA-N 0 0 507.568 2.517 50 0 KFAARN COCCn1c(C)cc(O)c(C(c2ccc(OC)c(OC)c2)c2c(O)cc(C)n(CCOC)c2=O)c1=O ZINC000009189917 553218289 /nfs/dbraw/zinc/21/82/89/553218289.db2.gz PQZPKURMQCLION-UHFFFAOYSA-N 0 0 514.575 2.528 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)Nc3ccc4c(c3)OCO4)C(C)C)CC2)cc1 ZINC000009190934 553218421 /nfs/dbraw/zinc/21/84/21/553218421.db2.gz AGPKYOGJQWBUMN-QHCPKHFHSA-N 0 0 501.605 2.904 50 0 KFAARN Cn1c2nc3n(cc(-c4ccc(Br)cc4)n3Cc3ccc4c(c3)OCO4)c2c(=O)n(C)c1=O ZINC000009192079 553218829 /nfs/dbraw/zinc/21/88/29/553218829.db2.gz JTMHGMCHPATJDZ-UHFFFAOYSA-N 0 0 508.332 2.893 50 0 KFAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2N2CCC(C(N)=O)CC2)cc1 ZINC000009203294 553220037 /nfs/dbraw/zinc/22/00/37/553220037.db2.gz XXKZVCBANRFBQB-UHFFFAOYSA-N 0 0 505.643 2.819 50 0 KFAARN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1 ZINC000009203487 553220252 /nfs/dbraw/zinc/22/02/52/553220252.db2.gz KHBCZPQKXRVULX-PMACEKPBSA-N 0 0 512.625 2.653 50 0 KFAARN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)cc1 ZINC000009203493 553220241 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CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000012602970 553401997 /nfs/dbraw/zinc/40/19/97/553401997.db2.gz TZQITXUQOFPKBR-UHFFFAOYSA-N 0 0 509.650 2.957 50 0 KFAARN COc1cc2nc(CN3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)[nH]c(=O)c2cc1OC ZINC000012602985 553402011 /nfs/dbraw/zinc/40/20/11/553402011.db2.gz CCBNNJLNEBAGMR-UHFFFAOYSA-N 0 0 500.621 2.680 50 0 KFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cccc(F)c2)C(C)C)c1 ZINC000012604685 553402228 /nfs/dbraw/zinc/40/22/28/553402228.db2.gz LCYXQUXRRDHEFR-QFIPXVFZSA-N 0 0 507.584 2.793 50 0 KFAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1N ZINC000012604812 553402390 /nfs/dbraw/zinc/40/23/90/553402390.db2.gz GHDULIXTHRDCGL-UHFFFAOYSA-N 0 0 516.649 2.881 50 0 KFAARN COc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1S(=O)(=O)N1CCOCC1 ZINC000012614006 553402427 /nfs/dbraw/zinc/40/24/27/553402427.db2.gz MEBBJMOKCAOVFG-UHFFFAOYSA-N 0 0 517.585 2.635 50 0 KFAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012620039 553403388 /nfs/dbraw/zinc/40/33/88/553403388.db2.gz HWGGTLGUPPNXME-XMMPIXPASA-N 0 0 517.007 2.847 50 0 KFAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012620045 553403406 /nfs/dbraw/zinc/40/34/06/553403406.db2.gz HWGGTLGUPPNXME-DEOSSOPVSA-N 0 0 517.007 2.847 50 0 KFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 ZINC000012620314 553403502 /nfs/dbraw/zinc/40/35/02/553403502.db2.gz QMIXQYZEBSADNR-UHFFFAOYSA-N 0 0 525.649 2.576 50 0 KFAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000012621850 553403946 /nfs/dbraw/zinc/40/39/46/553403946.db2.gz UKRIIUOPTLIGIU-UHFFFAOYSA-N 0 0 506.588 2.786 50 0 KFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cccc(I)c1 ZINC000012622136 553403983 /nfs/dbraw/zinc/40/39/83/553403983.db2.gz JHZGKESITQEBJB-UHFFFAOYSA-N 0 0 502.330 2.645 50 0 KFAARN CC(=O)N1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n(-c3ccccc3)c2=S)CC1 ZINC000012622967 553404013 /nfs/dbraw/zinc/40/40/13/553404013.db2.gz FBBAKENPKVLKBM-UHFFFAOYSA-N 0 0 526.688 2.976 50 0 KFAARN COc1ccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1 ZINC000012623497 553404317 /nfs/dbraw/zinc/40/43/17/553404317.db2.gz KRMLHWIYIGEALR-UHFFFAOYSA-N 0 0 523.611 2.679 50 0 KFAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1 ZINC000012623634 553404314 /nfs/dbraw/zinc/40/43/14/553404314.db2.gz LUHOYOUMRBBYRU-UHFFFAOYSA-N 0 0 501.366 2.885 50 0 KFAARN O=C(COc1cccc2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000012625631 553404974 /nfs/dbraw/zinc/40/49/74/553404974.db2.gz DAZBMPJHJWJGRY-UHFFFAOYSA-N 0 0 511.600 2.715 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000012625702 553404977 /nfs/dbraw/zinc/40/49/77/553404977.db2.gz SUBKATKKUAMZHH-AREMUKBSSA-N 0 0 526.615 2.592 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000012625704 553404979 /nfs/dbraw/zinc/40/49/79/553404979.db2.gz SUBKATKKUAMZHH-SANMLTNESA-N 0 0 526.615 2.592 50 0 KFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CCOCC3)C2=S)cc1 ZINC000012628642 553405260 /nfs/dbraw/zinc/40/52/60/553405260.db2.gz GNRARTGRMAJGMM-JOCHJYFZSA-N 0 0 528.606 2.666 50 0 KFAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012631805 553405616 /nfs/dbraw/zinc/40/56/16/553405616.db2.gz XPRITEIOYDGABV-UHFFFAOYSA-N 0 0 502.376 2.993 50 0 KFAARN COc1ccc(N(CC(=O)N[C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000012632543 553405910 /nfs/dbraw/zinc/40/59/10/553405910.db2.gz PPSTVTNLPOKTGV-ZDUSSCGKSA-N 0 0 507.417 2.501 50 0 KFAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012634955 553406329 /nfs/dbraw/zinc/40/63/29/553406329.db2.gz VNWBAEVBWFWGKT-QFBILLFUSA-N 0 0 522.023 2.701 50 0 KFAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012634957 553406312 /nfs/dbraw/zinc/40/63/12/553406312.db2.gz VNWBAEVBWFWGKT-LPHOPBHVSA-N 0 0 522.023 2.701 50 0 KFAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012634959 553406318 /nfs/dbraw/zinc/40/63/18/553406318.db2.gz VNWBAEVBWFWGKT-VQIMIIECSA-N 0 0 522.023 2.701 50 0 KFAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012634961 553406338 /nfs/dbraw/zinc/40/63/38/553406338.db2.gz VNWBAEVBWFWGKT-APWZRJJASA-N 0 0 522.023 2.701 50 0 KFAARN COC(=O)c1cc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc(C(=O)OC)c1 ZINC000012635958 553406962 /nfs/dbraw/zinc/40/69/62/553406962.db2.gz PJTNEIRPDCWIDM-NDEPHWFRSA-N 0 0 515.522 2.888 50 0 KFAARN COC(=O)c1cc(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc(C(=O)OC)c1 ZINC000012635962 553406945 /nfs/dbraw/zinc/40/69/45/553406945.db2.gz PJTNEIRPDCWIDM-MUUNZHRXSA-N 0 0 515.522 2.888 50 0 KFAARN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012637307 553407097 /nfs/dbraw/zinc/40/70/97/553407097.db2.gz VXQPCAJQGLDGLN-FQEVSTJZSA-N 0 0 521.661 2.515 50 0 KFAARN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012637315 553407021 /nfs/dbraw/zinc/40/70/21/553407021.db2.gz VXQPCAJQGLDGLN-HXUWFJFHSA-N 0 0 521.661 2.515 50 0 KFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NC(=O)C1CCCCC1 ZINC000012637421 553407290 /nfs/dbraw/zinc/40/72/90/553407290.db2.gz LFFAOSKLEWAFCI-UHFFFAOYSA-N 0 0 504.527 2.872 50 0 KFAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000012638861 553407931 /nfs/dbraw/zinc/40/79/31/553407931.db2.gz WAPRTUDSEIWTFI-UHFFFAOYSA-N 0 0 513.550 2.997 50 0 KFAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000012639993 553408039 /nfs/dbraw/zinc/40/80/39/553408039.db2.gz KXDXOYYNOBTTIA-UHFFFAOYSA-N 0 0 521.639 2.993 50 0 KFAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)(C)C)c2)CC1 ZINC000012643533 553408534 /nfs/dbraw/zinc/40/85/34/553408534.db2.gz UVQHSXQBPUAHPU-UHFFFAOYSA-N 0 0 515.632 2.524 50 0 KFAARN COC(=O)c1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc(C(=O)OC)c1 ZINC000012645032 553408936 /nfs/dbraw/zinc/40/89/36/553408936.db2.gz WPEVWEUEXGCDLF-MHZLTWQESA-N 0 0 519.510 2.827 50 0 KFAARN COC(=O)c1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc(C(=O)OC)c1 ZINC000012645035 553408961 /nfs/dbraw/zinc/40/89/61/553408961.db2.gz WPEVWEUEXGCDLF-HHHXNRCGSA-N 0 0 519.510 2.827 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC000012650198 553409365 /nfs/dbraw/zinc/40/93/65/553409365.db2.gz XYYSJBBTGXQHQA-CQSZACIVSA-N 0 0 517.629 2.796 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 ZINC000012650202 553409361 /nfs/dbraw/zinc/40/93/61/553409361.db2.gz XYYSJBBTGXQHQA-AWEZNQCLSA-N 0 0 517.629 2.796 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012650852 553409593 /nfs/dbraw/zinc/40/95/93/553409593.db2.gz XTZJRJFTXNMZIU-UHFFFAOYSA-N 0 0 515.613 2.949 50 0 KFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000012651374 553409772 /nfs/dbraw/zinc/40/97/72/553409772.db2.gz PHTZGASKZIPFDH-UHFFFAOYSA-N 0 0 533.647 2.902 50 0 KFAARN CCc1cc2c(cc1O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)NCC(N)=O)occ(-c1nc(C)cs1)c2=O ZINC000012654131 553410187 /nfs/dbraw/zinc/41/01/87/553410187.db2.gz YQCYGLFYPYLVLC-HNAYVOBHSA-N 0 0 528.631 2.687 50 0 biogenic KFAARN CCc1cc2c(cc1O[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)NCC(N)=O)occ(-c1nc(C)cs1)c2=O ZINC000012654136 553410413 /nfs/dbraw/zinc/41/04/13/553410413.db2.gz YQCYGLFYPYLVLC-DNVCBOLYSA-N 0 0 528.631 2.687 50 0 biogenic KFAARN COCCCN(C(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012659160 553411412 /nfs/dbraw/zinc/41/14/12/553411412.db2.gz ZNDZLJCDRNCJJC-UHFFFAOYSA-N 0 0 525.675 2.628 50 0 KFAARN Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc42)C(=Cc2cccs2)CC3)c(=O)n(C)c1=O ZINC000012660230 1059747141 /nfs/dbraw/zinc/74/71/41/1059747141.db2.gz NHCDLMVJZWAGDI-WYMLVPIESA-N 0 0 502.552 2.802 50 0 KFAARN CCn1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)c2ccc(C)nc21 ZINC000012661083 553412186 /nfs/dbraw/zinc/41/21/86/553412186.db2.gz JGBXJLLTNLQPTA-UHFFFAOYSA-N 0 0 512.588 2.695 50 0 KFAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)OC)cc2oc1=O ZINC000012662091 553412412 /nfs/dbraw/zinc/41/24/12/553412412.db2.gz GBYBBTSUQZANQP-QHCPKHFHSA-N 0 0 518.522 2.804 50 0 biogenic KFAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)Nc2ccc(C)cc2)CC1 ZINC000012662282 553412404 /nfs/dbraw/zinc/41/24/04/553412404.db2.gz ULXLMDNKOAWRSZ-FQEVSTJZSA-N 0 0 506.669 2.935 50 0 biogenic KFAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000012662408 553412598 /nfs/dbraw/zinc/41/25/98/553412598.db2.gz AGKGRVIXYKDUJW-CVDCTZTESA-N 0 0 532.682 2.994 50 0 biogenic KFAARN Cc1oc(NC(=O)COC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c2c1c(C)n[nH]c2=O ZINC000012684243 553413049 /nfs/dbraw/zinc/41/30/49/553413049.db2.gz RTFKYABLRZAFSF-UHFFFAOYSA-N 0 0 514.491 2.868 50 0 KFAARN Cc1ccc(NC(=O)CSCC(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000012684340 553413047 /nfs/dbraw/zinc/41/30/47/553413047.db2.gz FQFLLEMJDLDHAR-HXUWFJFHSA-N 0 0 504.630 2.739 50 0 KFAARN Cc1ccc(NC(=O)CSCC(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000012684346 553413037 /nfs/dbraw/zinc/41/30/37/553413037.db2.gz FQFLLEMJDLDHAR-FQEVSTJZSA-N 0 0 504.630 2.739 50 0 KFAARN CC(C)CN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012690753 553413009 /nfs/dbraw/zinc/41/30/09/553413009.db2.gz HURSYCYTSLNWPP-UHFFFAOYSA-N 0 0 522.635 2.685 50 0 KFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 ZINC000012691005 553413028 /nfs/dbraw/zinc/41/30/28/553413028.db2.gz PRPNGXPANBMTKM-UHFFFAOYSA-N 0 0 508.666 2.820 50 0 KFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000012693251 553413188 /nfs/dbraw/zinc/41/31/88/553413188.db2.gz LOSYNWVWMRBRBU-CQSZACIVSA-N 0 0 504.682 2.942 50 0 KFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000012693258 553413129 /nfs/dbraw/zinc/41/31/29/553413129.db2.gz LOSYNWVWMRBRBU-AWEZNQCLSA-N 0 0 504.682 2.942 50 0 KFAARN COc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1S(=O)(=O)N(C)C ZINC000012694839 553413142 /nfs/dbraw/zinc/41/31/42/553413142.db2.gz IYMXJYLVPCJQTQ-UHFFFAOYSA-N 0 0 515.558 2.510 50 0 KFAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012695412 553413138 /nfs/dbraw/zinc/41/31/38/553413138.db2.gz MUNMWDZHTLMZIH-WIYYLYMNSA-N 0 0 504.630 2.819 50 0 KFAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012695420 553413164 /nfs/dbraw/zinc/41/31/64/553413164.db2.gz MUNMWDZHTLMZIH-GHTZIAJQSA-N 0 0 504.630 2.819 50 0 KFAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012695426 553413094 /nfs/dbraw/zinc/41/30/94/553413094.db2.gz MUNMWDZHTLMZIH-NQIIRXRSSA-N 0 0 504.630 2.819 50 0 KFAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012695433 553413108 /nfs/dbraw/zinc/41/31/08/553413108.db2.gz MUNMWDZHTLMZIH-RXVVDRJESA-N 0 0 504.630 2.819 50 0 KFAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012696953 553413367 /nfs/dbraw/zinc/41/33/67/553413367.db2.gz VFADXXVGXCIIBX-UHFFFAOYSA-N 0 0 518.444 2.680 50 0 KFAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)c(C)c1C ZINC000012696958 553413366 /nfs/dbraw/zinc/41/33/66/553413366.db2.gz OWTNYOMUXVSTPF-UHFFFAOYSA-N 0 0 519.689 2.915 50 0 KFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)c1C ZINC000012696966 553413344 /nfs/dbraw/zinc/41/33/44/553413344.db2.gz FLRNMHRQSVDGHV-UHFFFAOYSA-N 0 0 505.662 2.607 50 0 KFAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1 ZINC000012700201 553413348 /nfs/dbraw/zinc/41/33/48/553413348.db2.gz SASCWISWDQNMKF-LJQANCHMSA-N 0 0 505.662 2.887 50 0 KFAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1 ZINC000012700205 553413357 /nfs/dbraw/zinc/41/33/57/553413357.db2.gz SASCWISWDQNMKF-IBGZPJMESA-N 0 0 505.662 2.887 50 0 KFAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000012700567 553413359 /nfs/dbraw/zinc/41/33/59/553413359.db2.gz KRPDZFOOMCHODR-UHFFFAOYSA-N 0 0 518.444 2.680 50 0 KFAARN CCOC(=O)C1=C(CSc2nnc(COc3ccccc3F)n2N)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012735819 553420554 /nfs/dbraw/zinc/42/05/54/553420554.db2.gz GSINLBATFZRCLZ-LJQANCHMSA-N 0 0 502.528 2.575 50 0 KFAARN CCOC(=O)C1=C(CSc2nnc(COc3ccccc3F)n2N)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012735821 553420519 /nfs/dbraw/zinc/42/05/19/553420519.db2.gz GSINLBATFZRCLZ-IBGZPJMESA-N 0 0 502.528 2.575 50 0 KFAARN CCOC(=O)C1=C(CSc2nnc(COc3ccc(F)cc3)n2N)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012792722 553420782 /nfs/dbraw/zinc/42/07/82/553420782.db2.gz SYRSUWUDFQSSQN-LJQANCHMSA-N 0 0 502.528 2.575 50 0 KFAARN CCOC(=O)C1=C(CSc2nnc(COc3ccc(F)cc3)n2N)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012792728 553420778 /nfs/dbraw/zinc/42/07/78/553420778.db2.gz SYRSUWUDFQSSQN-IBGZPJMESA-N 0 0 502.528 2.575 50 0 KFAARN CC(C)Oc1ccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000012798321 553421022 /nfs/dbraw/zinc/42/10/22/553421022.db2.gz CKDJLBFRWDFKPH-UHFFFAOYSA-N 0 0 500.548 2.507 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3sc4nc5n(c(=O)c4c3C)CCCCC5)CC2)cc1 ZINC000012818875 553421118 /nfs/dbraw/zinc/42/11/18/553421118.db2.gz JYYMDYSPYCGRGX-UHFFFAOYSA-N 0 0 516.645 2.648 50 0 KFAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000012848221 553421903 /nfs/dbraw/zinc/42/19/03/553421903.db2.gz CLCHYKRWWFXVTD-UHFFFAOYSA-N 0 0 501.605 2.572 50 0 KFAARN CC(C)CN(C(=O)COC(=O)c1ccc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012849528 553421920 /nfs/dbraw/zinc/42/19/20/553421920.db2.gz JRVNNYZASZAILB-UHFFFAOYSA-N 0 0 501.543 2.561 50 0 KFAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000012850894 553422070 /nfs/dbraw/zinc/42/20/70/553422070.db2.gz AFKVBNDLNXRYID-UHFFFAOYSA-N 0 0 508.618 2.515 50 0 KFAARN CS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1 ZINC000012854454 553422073 /nfs/dbraw/zinc/42/20/73/553422073.db2.gz ZARFLAJVKKSPON-UHFFFAOYSA-N 0 0 513.641 2.849 50 0 KFAARN CCN(CC(=O)NCc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000012854857 553422054 /nfs/dbraw/zinc/42/20/54/553422054.db2.gz OMABDVJAOGSLCL-UHFFFAOYSA-N 0 0 520.460 2.854 50 0 KFAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 ZINC000012857595 553422391 /nfs/dbraw/zinc/42/23/91/553422391.db2.gz KYXSSOMHPMLFJU-FQEVSTJZSA-N 0 0 510.591 2.540 50 0 KFAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 ZINC000012857604 553422454 /nfs/dbraw/zinc/42/24/54/553422454.db2.gz KYXSSOMHPMLFJU-HXUWFJFHSA-N 0 0 510.591 2.540 50 0 KFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)NC[C@@H]1CCCO1 ZINC000012858539 553422628 /nfs/dbraw/zinc/42/26/28/553422628.db2.gz GXHKYENQRKAHNL-AWEZNQCLSA-N 0 0 512.934 2.598 50 0 KFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)NC[C@H]1CCCO1 ZINC000012858548 553422614 /nfs/dbraw/zinc/42/26/14/553422614.db2.gz GXHKYENQRKAHNL-CQSZACIVSA-N 0 0 512.934 2.598 50 0 KFAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000012859534 553422809 /nfs/dbraw/zinc/42/28/09/553422809.db2.gz CJSNJNQKVYPKLD-UHFFFAOYSA-N 0 0 512.554 2.742 50 0 KFAARN COc1ccc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000012861680 553422931 /nfs/dbraw/zinc/42/29/31/553422931.db2.gz LBAZSBMDNLWUQC-SSOJOUAXSA-N 0 0 520.652 2.945 50 0 KFAARN COc1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000012861687 553422906 /nfs/dbraw/zinc/42/29/06/553422906.db2.gz LBAZSBMDNLWUQC-GKVSMKOHSA-N 0 0 520.652 2.945 50 0 KFAARN COc1ccc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000012861694 553422908 /nfs/dbraw/zinc/42/29/08/553422908.db2.gz LBAZSBMDNLWUQC-CRICUBBOSA-N 0 0 520.652 2.945 50 0 KFAARN COc1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000012861704 553422958 /nfs/dbraw/zinc/42/29/58/553422958.db2.gz LBAZSBMDNLWUQC-NSYGIPOTSA-N 0 0 520.652 2.945 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000012863341 553423167 /nfs/dbraw/zinc/42/31/67/553423167.db2.gz FBQZPYVVHKRZKX-LJQANCHMSA-N 0 0 506.646 2.732 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000012863348 553423141 /nfs/dbraw/zinc/42/31/41/553423141.db2.gz FBQZPYVVHKRZKX-IBGZPJMESA-N 0 0 506.646 2.732 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000012864565 553423317 /nfs/dbraw/zinc/42/33/17/553423317.db2.gz JAYZNMHHFMYTAX-SANMLTNESA-N 0 0 528.631 2.974 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000012864577 553423253 /nfs/dbraw/zinc/42/32/53/553423253.db2.gz JAYZNMHHFMYTAX-AREMUKBSSA-N 0 0 528.631 2.974 50 0 KFAARN Cc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 ZINC000012865171 553423330 /nfs/dbraw/zinc/42/33/30/553423330.db2.gz OWKHNIFTCKBNHP-UGKGYDQZSA-N 0 0 502.656 2.904 50 0 biogenic KFAARN COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000012865420 553423494 /nfs/dbraw/zinc/42/34/94/553423494.db2.gz DCWURXGNIGPZJY-AVRDEDQJSA-N 0 0 518.655 2.604 50 0 biogenic KFAARN Cc1cc(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c2ccccc2n1 ZINC000012867014 553423652 /nfs/dbraw/zinc/42/36/52/553423652.db2.gz QDYLYZBNYJCKGL-UHFFFAOYSA-N 0 0 515.570 2.870 50 0 KFAARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000012870472 553423935 /nfs/dbraw/zinc/42/39/35/553423935.db2.gz FKYAYJUTLYVVTQ-UHFFFAOYSA-N 0 0 515.009 2.714 50 0 KFAARN CCCCN(C(=O)CSCC(=O)Nc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012870509 553424020 /nfs/dbraw/zinc/42/40/20/553424020.db2.gz UMLJMXXJGIJLBD-UHFFFAOYSA-N 0 0 509.632 2.981 50 0 KFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(=O)[nH]c1=O ZINC000012871573 553424034 /nfs/dbraw/zinc/42/40/34/553424034.db2.gz YDTMNMFJHQGTRL-UHFFFAOYSA-N 0 0 533.695 2.626 50 0 KFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(=O)[nH]c1=O ZINC000012871741 553424025 /nfs/dbraw/zinc/42/40/25/553424025.db2.gz YQXHJMBJOSESTO-UHFFFAOYSA-N 0 0 519.668 2.642 50 0 KFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)C(=O)[C@]31C ZINC000012872288 553424177 /nfs/dbraw/zinc/42/41/77/553424177.db2.gz AQALIPJQSSFUAL-OLRZCDJHSA-N 0 0 520.586 2.977 50 0 biogenic KFAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000012874387 553424506 /nfs/dbraw/zinc/42/45/06/553424506.db2.gz ARWFGYWIWIQFCR-UHFFFAOYSA-N 0 0 508.540 2.994 50 0 KFAARN O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012877158 553424886 /nfs/dbraw/zinc/42/48/86/553424886.db2.gz OGEIVTWPDJJAJI-UHFFFAOYSA-N 0 0 508.350 2.877 50 0 KFAARN O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012878210 553425121 /nfs/dbraw/zinc/42/51/21/553425121.db2.gz YJFSYRMHWFNKFP-UHFFFAOYSA-N 0 0 510.522 2.811 50 0 KFAARN CCCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012878293 553425078 /nfs/dbraw/zinc/42/50/78/553425078.db2.gz UHMUWXXGBHNKQL-UHFFFAOYSA-N 0 0 509.632 2.981 50 0 KFAARN CC(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012881450 553425720 /nfs/dbraw/zinc/42/57/20/553425720.db2.gz VXLGCJVBUWXUGD-UHFFFAOYSA-N 0 0 516.616 2.839 50 0 KFAARN COc1cc(C(=O)NCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc(OC)c1OC ZINC000012882688 553425732 /nfs/dbraw/zinc/42/57/32/553425732.db2.gz IZAYORNPHZBEQN-UHFFFAOYSA-N 0 0 516.904 2.858 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000012883329 553425807 /nfs/dbraw/zinc/42/58/07/553425807.db2.gz SFLWNMSGJKBINM-VWLOTQADSA-N 0 0 514.604 2.666 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000012883337 553425742 /nfs/dbraw/zinc/42/57/42/553425742.db2.gz SFLWNMSGJKBINM-RUZDIDTESA-N 0 0 514.604 2.666 50 0 KFAARN O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012885451 553426124 /nfs/dbraw/zinc/42/61/24/553426124.db2.gz OIAQTZJFZGKBBG-UHFFFAOYSA-N 0 0 510.522 2.811 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)Nc1cccc(CC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012889438 553426498 /nfs/dbraw/zinc/42/64/98/553426498.db2.gz RFTJZPIPLZXILE-UHFFFAOYSA-N 0 0 529.638 2.967 50 0 KFAARN CCn1cc(C(=O)NCCC(=O)NCCc2c[nH]c3ccc(OC)cc23)c(=O)c2cc3c(cc21)OCO3 ZINC000012890982 553426590 /nfs/dbraw/zinc/42/65/90/553426590.db2.gz LUKRJZIYPGIIFY-UHFFFAOYSA-N 0 0 504.543 2.719 50 0 biogenic KFAARN COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)CNC(=O)c3ccc(OC)c(OC)c3)n2)c1 ZINC000012891539 553426578 /nfs/dbraw/zinc/42/65/78/553426578.db2.gz YKDLRFJOJKOERQ-UHFFFAOYSA-N 0 0 515.544 2.756 50 0 KFAARN CCn1cc(C(=O)N[C@@H](C)C(=O)NCCc2c[nH]c3ccc(OC)cc23)c(=O)c2cc3c(cc21)OCO3 ZINC000012893278 553426568 /nfs/dbraw/zinc/42/65/68/553426568.db2.gz LWLWOPFPFOUBQB-HNNXBMFYSA-N 0 0 504.543 2.717 50 0 biogenic KFAARN CCn1cc(C(=O)NCCC(=O)NCCc2c[nH]c3cc(OC)ccc23)c(=O)c2cc3c(cc21)OCO3 ZINC000012893990 553426555 /nfs/dbraw/zinc/42/65/55/553426555.db2.gz HMRPDFITXWJGLT-UHFFFAOYSA-N 0 0 504.543 2.719 50 0 biogenic KFAARN Cc1c(C)c2c(OCC(=O)N[C@@H](CC(C)C)C(=O)NCCCO)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000012895036 553426605 /nfs/dbraw/zinc/42/66/05/553426605.db2.gz BUHGESUQWHDKQF-IBGZPJMESA-N 0 0 502.608 2.922 50 0 biogenic KFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC2)c1 ZINC000012895138 553426575 /nfs/dbraw/zinc/42/65/75/553426575.db2.gz QTJRAGFJVUHXHC-UHFFFAOYSA-N 0 0 508.438 2.719 50 0 KFAARN CCCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012895156 553426613 /nfs/dbraw/zinc/42/66/13/553426613.db2.gz DDVMEDMOKROGNO-UHFFFAOYSA-N 0 0 502.660 2.710 50 0 KFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000012895665 553426616 /nfs/dbraw/zinc/42/66/16/553426616.db2.gz VTNZMDYTSFHFLJ-UHFFFAOYSA-N 0 0 501.303 2.800 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012897467 553426771 /nfs/dbraw/zinc/42/67/71/553426771.db2.gz LPIKHZTUYDISMQ-OALUTQOASA-N 0 0 521.659 2.555 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N1[C@H](C)CCC[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012897479 553426742 /nfs/dbraw/zinc/42/67/42/553426742.db2.gz LPIKHZTUYDISMQ-KDURUIRLSA-N 0 0 521.659 2.555 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012897486 553426766 /nfs/dbraw/zinc/42/67/66/553426766.db2.gz LPIKHZTUYDISMQ-RTBURBONSA-N 0 0 521.659 2.555 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCCOc1ccc(OC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012900030 553426727 /nfs/dbraw/zinc/42/67/27/553426727.db2.gz YTCWBYPBIJVKFR-UHFFFAOYSA-N 0 0 518.611 2.853 50 0 KFAARN CCOc1ccc(CCNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OCC ZINC000012902388 553426714 /nfs/dbraw/zinc/42/67/14/553426714.db2.gz MOWKNVCROIQODW-UHFFFAOYSA-N 0 0 504.605 2.784 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N(CC)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012902484 553426725 /nfs/dbraw/zinc/42/67/25/553426725.db2.gz KXMKYYAUATWCIC-UHFFFAOYSA-N 0 0 529.638 2.819 50 0 KFAARN CC(C)CN(C(=O)COC(=O)CCc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012903232 553426880 /nfs/dbraw/zinc/42/68/80/553426880.db2.gz QWYBEUJLTPGLAM-UHFFFAOYSA-N 0 0 517.586 2.813 50 0 KFAARN CCCN(C(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012903989 553426918 /nfs/dbraw/zinc/42/69/18/553426918.db2.gz JTRLANJSJRSBHF-UHFFFAOYSA-N 0 0 505.604 2.796 50 0 KFAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000012905129 553426905 /nfs/dbraw/zinc/42/69/05/553426905.db2.gz JTKRPRQJOKSQLQ-VWLOTQADSA-N 0 0 514.604 2.666 50 0 KFAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000012905133 553426809 /nfs/dbraw/zinc/42/68/09/553426809.db2.gz JTKRPRQJOKSQLQ-RUZDIDTESA-N 0 0 514.604 2.666 50 0 KFAARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1 ZINC000012908082 553426833 /nfs/dbraw/zinc/42/68/33/553426833.db2.gz FVYBNFFGJMFNPI-NRFANRHFSA-N 0 0 523.615 2.828 50 0 KFAARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1 ZINC000012908088 553427058 /nfs/dbraw/zinc/42/70/58/553427058.db2.gz FVYBNFFGJMFNPI-OAQYLSRUSA-N 0 0 523.615 2.828 50 0 KFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000012909555 553427080 /nfs/dbraw/zinc/42/70/80/553427080.db2.gz LRMXVPUJQHTYIZ-KRWDZBQOSA-N 0 0 516.645 2.865 50 0 KFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000012909559 553427076 /nfs/dbraw/zinc/42/70/76/553427076.db2.gz LRMXVPUJQHTYIZ-QGZVFWFLSA-N 0 0 516.645 2.865 50 0 KFAARN Cc1ccc(C)c(N2N=C(C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CCC2=O)c1 ZINC000012909576 553427065 /nfs/dbraw/zinc/42/70/65/553427065.db2.gz BYSXQKKEFJJGGN-UHFFFAOYSA-N 0 0 516.602 2.956 50 0 KFAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)c1C ZINC000012915932 553427290 /nfs/dbraw/zinc/42/72/90/553427290.db2.gz RBXOYSGRGFUCNK-UHFFFAOYSA-N 0 0 507.565 2.852 50 0 KFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012917377 553427341 /nfs/dbraw/zinc/42/73/41/553427341.db2.gz ZLQCGUABOXPOEC-UHFFFAOYSA-N 0 0 507.996 2.609 50 0 KFAARN O=C(Cc1cccc(C(F)(F)F)c1)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012917452 553427320 /nfs/dbraw/zinc/42/73/20/553427320.db2.gz GNWRZPFJZHOYME-UHFFFAOYSA-N 0 0 504.914 2.978 50 0 KFAARN CC(C)CN(C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012918061 553427379 /nfs/dbraw/zinc/42/73/79/553427379.db2.gz MLTXWCMUXSRIFI-UHFFFAOYSA-N 0 0 508.619 2.916 50 0 KFAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000012918505 553427312 /nfs/dbraw/zinc/42/73/12/553427312.db2.gz IFEHDCCRPVLQBC-INIZCTEOSA-N 0 0 515.588 2.778 50 0 KFAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000012918511 553427375 /nfs/dbraw/zinc/42/73/75/553427375.db2.gz IFEHDCCRPVLQBC-MRXNPFEDSA-N 0 0 515.588 2.778 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCCc4c(C(=O)OC)cccc43)CC2=O)cc1 ZINC000012920410 553427338 /nfs/dbraw/zinc/42/73/38/553427338.db2.gz BJSSLGWGAZDNPI-SFHVURJKSA-N 0 0 513.616 2.836 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCCc4c(C(=O)OC)cccc43)CC2=O)cc1 ZINC000012920414 553427349 /nfs/dbraw/zinc/42/73/49/553427349.db2.gz BJSSLGWGAZDNPI-GOSISDBHSA-N 0 0 513.616 2.836 50 0 KFAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H](C)Oc2ccc(Br)cc2)c(=O)[nH]c1=O ZINC000012922861 553427421 /nfs/dbraw/zinc/42/74/21/553427421.db2.gz DBRFWMJLJHFGMI-OAHLLOKOSA-N 0 0 517.380 2.528 50 0 KFAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H](C)Oc2ccc(Br)cc2)c(=O)[nH]c1=O ZINC000012922866 553427531 /nfs/dbraw/zinc/42/75/31/553427531.db2.gz DBRFWMJLJHFGMI-HNNXBMFYSA-N 0 0 517.380 2.528 50 0 KFAARN Cc1ccc(C(=O)CCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000012923411 553427563 /nfs/dbraw/zinc/42/75/63/553427563.db2.gz YENKSFIXBROCTA-UHFFFAOYSA-N 0 0 520.586 2.671 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)c1cccc(OC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012931017 553427735 /nfs/dbraw/zinc/42/77/35/553427735.db2.gz GBVZEPFJLPUCBJ-UHFFFAOYSA-N 0 0 516.595 2.657 50 0 KFAARN C[C@H]1CCc2c(sc(N3CC(=O)N(c4sc5c(c4C(N)=O)CC[C@H](C)C5)CC3=O)c2C(N)=O)C1 ZINC000012936886 553428005 /nfs/dbraw/zinc/42/80/05/553428005.db2.gz VPLPBOMRABBSRN-RYUDHWBXSA-N 0 0 500.646 2.637 50 0 KFAARN C[C@@H]1CCc2c(sc(N3CC(=O)N(c4sc5c(c4C(N)=O)CC[C@@H](C)C5)CC3=O)c2C(N)=O)C1 ZINC000012936891 553427929 /nfs/dbraw/zinc/42/79/29/553427929.db2.gz VPLPBOMRABBSRN-VXGBXAGGSA-N 0 0 500.646 2.637 50 0 KFAARN C[C@@H]1CCc2c(sc(N3CC(=O)N(c4sc5c(c4C(N)=O)CC[C@H](C)C5)CC3=O)c2C(N)=O)C1 ZINC000012936899 553427998 /nfs/dbraw/zinc/42/79/98/553427998.db2.gz VPLPBOMRABBSRN-TXEJJXNPSA-N 0 0 500.646 2.637 50 0 KFAARN COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)N2CCOCC2)cc1 ZINC000012939320 553427985 /nfs/dbraw/zinc/42/79/85/553427985.db2.gz HHNOVFNLEVHXNT-AREMUKBSSA-N 0 0 509.628 2.977 50 0 KFAARN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)N2CCOCC2)cc1 ZINC000012939326 553427958 /nfs/dbraw/zinc/42/79/58/553427958.db2.gz HHNOVFNLEVHXNT-SANMLTNESA-N 0 0 509.628 2.977 50 0 KFAARN Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1 ZINC000012939376 553427935 /nfs/dbraw/zinc/42/79/35/553427935.db2.gz NZHDVHIBBBKOOI-UHFFFAOYSA-N 0 0 529.659 2.928 50 0 KFAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O ZINC000012940869 553427923 /nfs/dbraw/zinc/42/79/23/553427923.db2.gz RGWNWMGXELRDBC-DEOSSOPVSA-N 0 0 502.568 2.796 50 0 KFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O ZINC000012940877 553427974 /nfs/dbraw/zinc/42/79/74/553427974.db2.gz RGWNWMGXELRDBC-XMMPIXPASA-N 0 0 502.568 2.796 50 0 KFAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000012942149 553427927 /nfs/dbraw/zinc/42/79/27/553427927.db2.gz PNHLTNWROWCLJW-QHCPKHFHSA-N 0 0 524.546 2.723 50 0 KFAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000012942156 553427919 /nfs/dbraw/zinc/42/79/19/553427919.db2.gz PNHLTNWROWCLJW-HSZRJFAPSA-N 0 0 524.546 2.723 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)Nc1ccc(C)cc1F)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012953547 553428997 /nfs/dbraw/zinc/42/89/97/553428997.db2.gz VSCMBJPFANBAKS-UHFFFAOYSA-N 0 0 533.601 2.852 50 0 KFAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1NC(=O)CSc1nncn1C ZINC000012971373 553431086 /nfs/dbraw/zinc/43/10/86/553431086.db2.gz VIRGMTJGCDNYBS-UHFFFAOYSA-N 0 0 502.622 2.793 50 0 KFAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000012971728 553431035 /nfs/dbraw/zinc/43/10/35/553431035.db2.gz ZRIVIIJOLUUXRJ-KRWDZBQOSA-N 0 0 515.588 2.633 50 0 KFAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000012971731 553431078 /nfs/dbraw/zinc/43/10/78/553431078.db2.gz ZRIVIIJOLUUXRJ-QGZVFWFLSA-N 0 0 515.588 2.633 50 0 KFAARN CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)N(C)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012972213 553431112 /nfs/dbraw/zinc/43/11/12/553431112.db2.gz OGVJWXCUNYQZJI-IBGZPJMESA-N 0 0 529.638 2.817 50 0 KFAARN CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)N(C)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012972215 553431202 /nfs/dbraw/zinc/43/12/02/553431202.db2.gz OGVJWXCUNYQZJI-LJQANCHMSA-N 0 0 529.638 2.817 50 0 KFAARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1cccc(C)c1 ZINC000012972489 553431262 /nfs/dbraw/zinc/43/12/62/553431262.db2.gz CHGSFIOSMZQYJJ-UHFFFAOYSA-N 0 0 507.634 2.725 50 0 KFAARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1ccc(C)cc1 ZINC000012972730 553431192 /nfs/dbraw/zinc/43/11/92/553431192.db2.gz USIGOSJLQKJFCE-UHFFFAOYSA-N 0 0 507.634 2.725 50 0 KFAARN COc1cccc(CN(C)C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1OC ZINC000012975178 553431171 /nfs/dbraw/zinc/43/11/71/553431171.db2.gz DMIPVWRLCBCILX-GOSISDBHSA-N 0 0 510.634 2.534 50 0 KFAARN COc1cccc(CN(C)C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1OC ZINC000012975179 553431223 /nfs/dbraw/zinc/43/12/23/553431223.db2.gz DMIPVWRLCBCILX-SFHVURJKSA-N 0 0 510.634 2.534 50 0 KFAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012975641 553431238 /nfs/dbraw/zinc/43/12/38/553431238.db2.gz SZJODHXYPIAYIV-XMMPIXPASA-N 0 0 517.007 2.847 50 0 KFAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012975643 553431221 /nfs/dbraw/zinc/43/12/21/553431221.db2.gz SZJODHXYPIAYIV-DEOSSOPVSA-N 0 0 517.007 2.847 50 0 KFAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000012976410 553431155 /nfs/dbraw/zinc/43/11/55/553431155.db2.gz DQASGIPDTJCZEC-NHCUHLMSSA-N 0 0 513.632 2.555 50 0 KFAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000012976413 553431234 /nfs/dbraw/zinc/43/12/34/553431234.db2.gz DQASGIPDTJCZEC-LEWJYISDSA-N 0 0 513.632 2.555 50 0 KFAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000012976415 553431145 /nfs/dbraw/zinc/43/11/45/553431145.db2.gz DQASGIPDTJCZEC-RTWAWAEBSA-N 0 0 513.632 2.555 50 0 KFAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000012976417 553431126 /nfs/dbraw/zinc/43/11/26/553431126.db2.gz DQASGIPDTJCZEC-SFTDATJTSA-N 0 0 513.632 2.555 50 0 KFAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c(=O)[nH]c1=O ZINC000012976806 553431161 /nfs/dbraw/zinc/43/11/61/553431161.db2.gz GSTRKPAFIXVREI-UHFFFAOYSA-N 0 0 500.625 2.638 50 0 KFAARN O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012980399 553431441 /nfs/dbraw/zinc/43/14/41/553431441.db2.gz SYQVVWFXACHQST-UHFFFAOYSA-N 0 0 514.387 2.690 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)c1ccc(F)c(F)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012980945 553431459 /nfs/dbraw/zinc/43/14/59/553431459.db2.gz AGYLZXLERIMDAH-UHFFFAOYSA-N 0 0 522.549 2.927 50 0 KFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccc(Cl)cc1F ZINC000012993800 553431638 /nfs/dbraw/zinc/43/16/38/553431638.db2.gz CKXZRHHYAXIWKD-UHFFFAOYSA-N 0 0 512.943 2.833 50 0 KFAARN CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000012998530 553431647 /nfs/dbraw/zinc/43/16/47/553431647.db2.gz WGGPFOJRKPYDKN-UHFFFAOYSA-N 0 0 531.631 2.750 50 0 KFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1 ZINC000013002461 553431756 /nfs/dbraw/zinc/43/17/56/553431756.db2.gz XFIJCEUZQZJGRL-UHFFFAOYSA-N 0 0 518.595 2.931 50 0 KFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(=O)[nH]c1=O ZINC000013004016 553432045 /nfs/dbraw/zinc/43/20/45/553432045.db2.gz UJZRVMRYBPXSRK-UHFFFAOYSA-N 0 0 519.668 2.786 50 0 KFAARN O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F ZINC000013009773 553432449 /nfs/dbraw/zinc/43/24/49/553432449.db2.gz WBWWJLNOHLVDCE-IBGZPJMESA-N 0 0 514.478 2.889 50 0 KFAARN O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F ZINC000013009775 553432413 /nfs/dbraw/zinc/43/24/13/553432413.db2.gz WBWWJLNOHLVDCE-LJQANCHMSA-N 0 0 514.478 2.889 50 0 KFAARN 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CCOc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)cc1 ZINC000013014135 553432627 /nfs/dbraw/zinc/43/26/27/553432627.db2.gz VEFVPOUUIKZWSO-FQEVSTJZSA-N 0 0 511.522 2.743 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000013014145 553432583 /nfs/dbraw/zinc/43/25/83/553432583.db2.gz FOZYPEYXSOHFNY-UHFFFAOYSA-N 0 0 508.666 2.820 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 ZINC000013014151 553432612 /nfs/dbraw/zinc/43/26/12/553432612.db2.gz FNEOFFJZQDDAMI-UHFFFAOYSA-N 0 0 504.030 2.882 50 0 KFAARN COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)n2)cc1 ZINC000013014564 553432754 /nfs/dbraw/zinc/43/27/54/553432754.db2.gz DBKNKXPEMBGWRZ-UHFFFAOYSA-N 0 0 517.585 2.879 50 0 KFAARN CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)N3CCN(c4ncccn4)CC3)c2)CC1 ZINC000013014589 553432832 /nfs/dbraw/zinc/43/28/32/553432832.db2.gz DIGFVRUVIRNDOD-UHFFFAOYSA-N 0 0 508.442 2.622 50 0 KFAARN 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Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 ZINC000013027941 553437470 /nfs/dbraw/zinc/43/74/70/553437470.db2.gz GWBSSNCXBPPYQA-UHFFFAOYSA-N 0 0 500.606 2.592 50 0 KFAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)c1=NC(=O)c1ccccc1OCC ZINC000013029657 1059002921 /nfs/dbraw/zinc/00/29/21/1059002921.db2.gz YJXXZPBCOKLUHH-UHFFFAOYSA-N 0 0 504.543 2.921 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000013060507 553443544 /nfs/dbraw/zinc/44/35/44/553443544.db2.gz DCBLVKSUUPBWIR-UHFFFAOYSA-N 0 0 515.632 2.766 50 0 KFAARN CON(C)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000013062632 553443541 /nfs/dbraw/zinc/44/35/41/553443541.db2.gz CHEYLCIDERJSCV-HNNXBMFYSA-N 0 0 511.984 2.543 50 0 KFAARN CON(C)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000013062633 553443536 /nfs/dbraw/zinc/44/35/36/553443536.db2.gz CHEYLCIDERJSCV-OAHLLOKOSA-N 0 0 511.984 2.543 50 0 KFAARN Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)c1C ZINC000013063098 553443510 /nfs/dbraw/zinc/44/35/10/553443510.db2.gz KTCVGGAFHGASNW-UHFFFAOYSA-N 0 0 526.615 2.880 50 0 KFAARN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C ZINC000013063644 553443711 /nfs/dbraw/zinc/44/37/11/553443711.db2.gz XVJFUMFDBPPRGU-DENIHFKCSA-N 0 0 516.554 2.989 50 0 KFAARN Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C ZINC000013063645 553443689 /nfs/dbraw/zinc/44/36/89/553443689.db2.gz XVJFUMFDBPPRGU-SIKLNZKXSA-N 0 0 516.554 2.989 50 0 KFAARN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C ZINC000013063646 553443738 /nfs/dbraw/zinc/44/37/38/553443738.db2.gz XVJFUMFDBPPRGU-KNQAVFIVSA-N 0 0 516.554 2.989 50 0 KFAARN Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C ZINC000013063647 553443681 /nfs/dbraw/zinc/44/36/81/553443681.db2.gz XVJFUMFDBPPRGU-UGKGYDQZSA-N 0 0 516.554 2.989 50 0 KFAARN CCn1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000013076106 553445048 /nfs/dbraw/zinc/44/50/48/553445048.db2.gz IXIUZDZRNOIDLO-ROUUACIJSA-N 0 0 514.598 2.775 50 0 KFAARN CCn1cc(C(=O)OCC(=O)N2[C@H](C)CCC[C@@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000013076111 553445086 /nfs/dbraw/zinc/44/50/86/553445086.db2.gz IXIUZDZRNOIDLO-HDICACEKSA-N 0 0 514.598 2.775 50 0 KFAARN CCn1cc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000013076114 553445063 /nfs/dbraw/zinc/44/50/63/553445063.db2.gz IXIUZDZRNOIDLO-QZTJIDSGSA-N 0 0 514.598 2.775 50 0 KFAARN CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000013076294 553445088 /nfs/dbraw/zinc/44/50/88/553445088.db2.gz RITQOMYQVQDRQM-HNNXBMFYSA-N 0 0 511.984 2.543 50 0 KFAARN CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000013076296 553445060 /nfs/dbraw/zinc/44/50/60/553445060.db2.gz RITQOMYQVQDRQM-OAHLLOKOSA-N 0 0 511.984 2.543 50 0 KFAARN CC(C)CCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013095810 553445908 /nfs/dbraw/zinc/44/59/08/553445908.db2.gz WNDZECCGTFLVPD-UHFFFAOYSA-N 0 0 503.559 2.513 50 0 KFAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cc2)cc1C ZINC000013095851 553446135 /nfs/dbraw/zinc/44/61/35/553446135.db2.gz VFIQXGVJNVYPKH-UHFFFAOYSA-N 0 0 501.586 2.532 50 0 KFAARN COc1cc(-c2nnc(COC(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)o2)cc(OC)c1OC ZINC000013095860 553446064 /nfs/dbraw/zinc/44/60/64/553446064.db2.gz MHCPIAJKTYYWEC-FQEVSTJZSA-N 0 0 505.549 2.809 50 0 KFAARN COc1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000013096619 553446422 /nfs/dbraw/zinc/44/64/22/553446422.db2.gz LDTULJVUPRQZED-UHFFFAOYSA-N 0 0 521.551 2.769 50 0 KFAARN O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000013096641 553446467 /nfs/dbraw/zinc/44/64/67/553446467.db2.gz HKVUNDFVXOSUPQ-UHFFFAOYSA-N 0 0 508.767 2.858 50 0 KFAARN 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GZBJJFLBEFOQIM-UHFFFAOYSA-N 0 0 505.980 2.957 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3ccc(Br)o3)CC2)c(C)c1 ZINC000014358960 553513155 /nfs/dbraw/zinc/51/31/55/553513155.db2.gz JZPJKRKRJYPYRU-VMPITWQZSA-N 0 0 511.394 2.748 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(OC(F)(F)F)cc3)CC2)c(C)c1 ZINC000014358962 553513166 /nfs/dbraw/zinc/51/31/66/553513166.db2.gz BLXZYWPULGFYOG-UHFFFAOYSA-N 0 0 500.495 2.892 50 0 KFAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014359164 553513323 /nfs/dbraw/zinc/51/33/23/553513323.db2.gz RGHZQHOHGWHYJH-UHFFFAOYSA-N 0 0 502.633 2.920 50 0 KFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000014359339 553513468 /nfs/dbraw/zinc/51/34/68/553513468.db2.gz NUIAOQICRZHMCV-UHFFFAOYSA-N 0 0 523.567 2.648 50 0 KFAARN CC(=O)Nc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)cc(=O)oc2c1 ZINC000014359517 553513472 /nfs/dbraw/zinc/51/34/72/553513472.db2.gz 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CCN(CC)C(=O)CO[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC(=O)N(CCc2ccccc2)C1 ZINC000014533638 553517896 /nfs/dbraw/zinc/51/78/96/553517896.db2.gz VILVSCJJVBRZFP-HSZRJFAPSA-N 0 0 519.646 2.663 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC(=O)N(CCc2ccccc2)C1 ZINC000014533639 553517857 /nfs/dbraw/zinc/51/78/57/553517857.db2.gz VILVSCJJVBRZFP-QHCPKHFHSA-N 0 0 519.646 2.663 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2ccc(F)cc2F)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014533832 553517884 /nfs/dbraw/zinc/51/78/84/553517884.db2.gz ZHQUHDDILHSLPP-NRFANRHFSA-N 0 0 503.546 2.712 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2ccc(F)cc2F)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014533833 553517824 /nfs/dbraw/zinc/51/78/24/553517824.db2.gz ZHQUHDDILHSLPP-OAQYLSRUSA-N 0 0 503.546 2.712 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2csc(SC)n2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014534579 553517855 /nfs/dbraw/zinc/51/78/55/553517855.db2.gz HGSQLDHWGJVHRW-IBGZPJMESA-N 0 0 520.677 2.612 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2csc(SC)n2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014534580 553517787 /nfs/dbraw/zinc/51/77/87/553517787.db2.gz HGSQLDHWGJVHRW-LJQANCHMSA-N 0 0 520.677 2.612 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)CC(=O)N(CCc2ccccc2)C1 ZINC000014534799 553517848 /nfs/dbraw/zinc/51/78/48/553517848.db2.gz BLRZLIWLPBZKLP-HSZRJFAPSA-N 0 0 517.630 2.857 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)CC(=O)N(CCc2ccccc2)C1 ZINC000014534800 553517871 /nfs/dbraw/zinc/51/78/71/553517871.db2.gz BLRZLIWLPBZKLP-QHCPKHFHSA-N 0 0 517.630 2.857 50 0 KFAARN COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)C3CCN(C(C)=O)CC3)C2)c1 ZINC000014536288 553518094 /nfs/dbraw/zinc/51/80/94/553518094.db2.gz NGUFDGLQWCYGQC-HHHXNRCGSA-N 0 0 507.631 2.752 50 0 KFAARN COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)C3CCN(C(C)=O)CC3)C2)c1 ZINC000014536289 553518057 /nfs/dbraw/zinc/51/80/57/553518057.db2.gz NGUFDGLQWCYGQC-MHZLTWQESA-N 0 0 507.631 2.752 50 0 KFAARN O=C(c1ccc(-n2cnnn2)cc1)N1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(F)c2)C1 ZINC000014536429 553518135 /nfs/dbraw/zinc/51/81/35/553518135.db2.gz AGTLOZUADXJHKD-AREMUKBSSA-N 0 0 514.561 2.914 50 0 KFAARN O=C(c1ccc(-n2cnnn2)cc1)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 ZINC000014536430 553518075 /nfs/dbraw/zinc/51/80/75/553518075.db2.gz AGTLOZUADXJHKD-SANMLTNESA-N 0 0 514.561 2.914 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc3ncccc3c2)C1 ZINC000014536684 553518119 /nfs/dbraw/zinc/51/81/19/553518119.db2.gz XPUGMYLJWSZFRC-VWLOTQADSA-N 0 0 518.614 2.982 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc3ncccc3c2)C1 ZINC000014536685 553518152 /nfs/dbraw/zinc/51/81/52/553518152.db2.gz XPUGMYLJWSZFRC-RUZDIDTESA-N 0 0 518.614 2.982 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)CSc2ccccc2)C1 ZINC000014538458 553518359 /nfs/dbraw/zinc/51/83/59/553518359.db2.gz UDPRAGSSUFVIFX-QHCPKHFHSA-N 0 0 513.660 2.912 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)CSc2ccccc2)C1 ZINC000014538459 553518295 /nfs/dbraw/zinc/51/82/95/553518295.db2.gz UDPRAGSSUFVIFX-HSZRJFAPSA-N 0 0 513.660 2.912 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2cccc3nccnc23)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014538714 1059761365 /nfs/dbraw/zinc/76/13/65/1059761365.db2.gz RNMXJLCHLUPHSA-XMMPIXPASA-N 0 0 505.619 2.736 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2cccc3nccnc23)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014538715 1059761575 /nfs/dbraw/zinc/76/15/75/1059761575.db2.gz RNMXJLCHLUPHSA-DEOSSOPVSA-N 0 0 505.619 2.736 50 0 KFAARN COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C(=O)[C@@H](C)c3n[nH]c(=O)c4ccccc43)C2)c1 ZINC000014540183 553518533 /nfs/dbraw/zinc/51/85/33/553518533.db2.gz LWIWMBYRBCWRTE-SIKLNZKXSA-N 0 0 506.603 2.947 50 0 KFAARN COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)CN(C(=O)[C@@H](C)c3n[nH]c(=O)c4ccccc43)C2)c1 ZINC000014540184 553518517 /nfs/dbraw/zinc/51/85/17/553518517.db2.gz LWIWMBYRBCWRTE-UGKGYDQZSA-N 0 0 506.603 2.947 50 0 KFAARN COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C(=O)[C@H](C)c3n[nH]c(=O)c4ccccc43)C2)c1 ZINC000014540185 553518581 /nfs/dbraw/zinc/51/85/81/553518581.db2.gz LWIWMBYRBCWRTE-DENIHFKCSA-N 0 0 506.603 2.947 50 0 KFAARN COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)CN(C(=O)[C@H](C)c3n[nH]c(=O)c4ccccc43)C2)c1 ZINC000014540186 553518566 /nfs/dbraw/zinc/51/85/66/553518566.db2.gz LWIWMBYRBCWRTE-KNQAVFIVSA-N 0 0 506.603 2.947 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2)CC(=O)N(CCc2ccccc2)C1 ZINC000014542695 553518725 /nfs/dbraw/zinc/51/87/25/553518725.db2.gz ZHVHZTGEZSWIMP-HHHXNRCGSA-N 0 0 531.657 2.712 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2)CC(=O)N(CCc2ccccc2)C1 ZINC000014542696 553518732 /nfs/dbraw/zinc/51/87/32/553518732.db2.gz ZHVHZTGEZSWIMP-MHZLTWQESA-N 0 0 531.657 2.712 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)CCc2ccc(OC)c(OC)c2)C1 ZINC000014542994 553518848 /nfs/dbraw/zinc/51/88/48/553518848.db2.gz IZXXUCCFRVJBCL-RUZDIDTESA-N 0 0 539.673 2.804 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)CCc2ccc(OC)c(OC)c2)C1 ZINC000014542995 553518882 /nfs/dbraw/zinc/51/88/82/553518882.db2.gz IZXXUCCFRVJBCL-VWLOTQADSA-N 0 0 539.673 2.804 50 0 KFAARN O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O ZINC000014555454 553518972 /nfs/dbraw/zinc/51/89/72/553518972.db2.gz YEPZMZDCXFRHCL-ZYWWQZICSA-N 0 0 510.550 2.748 50 0 in-vitro KFAARN CC[C@@H](C)N(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000014672563 553519205 /nfs/dbraw/zinc/51/92/05/553519205.db2.gz DVZXKZPJQZRKMB-ZIAGYGMSSA-N 0 0 501.026 2.642 50 0 KFAARN CC[C@H](C)N(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000014672564 553519260 /nfs/dbraw/zinc/51/92/60/553519260.db2.gz DVZXKZPJQZRKMB-UONOGXRCSA-N 0 0 501.026 2.642 50 0 KFAARN CC[C@@H](C)N(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000014672565 553519256 /nfs/dbraw/zinc/51/92/56/553519256.db2.gz DVZXKZPJQZRKMB-KGLIPLIRSA-N 0 0 501.026 2.642 50 0 KFAARN CC[C@H](C)N(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000014672566 553519230 /nfs/dbraw/zinc/51/92/30/553519230.db2.gz DVZXKZPJQZRKMB-KBPBESRZSA-N 0 0 501.026 2.642 50 0 KFAARN COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)c4cccnc4Oc4ccc(Cl)cc4)CN3C2=O)cc1 ZINC000014732678 553519410 /nfs/dbraw/zinc/51/94/10/553519410.db2.gz PXWCIHHIQWDPIC-TZYHBYERSA-N 0 0 520.973 2.976 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2cccc(Cn3cccn3)c2)CC(=O)N(CCc2ccccc2)C1 ZINC000014740789 553519592 /nfs/dbraw/zinc/51/95/92/553519592.db2.gz UGAMHYBAJSMZCN-HHHXNRCGSA-N 0 0 531.657 2.712 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2cccc(Cn3cccn3)c2)CC(=O)N(CCc2ccccc2)C1 ZINC000014740790 553519635 /nfs/dbraw/zinc/51/96/35/553519635.db2.gz UGAMHYBAJSMZCN-MHZLTWQESA-N 0 0 531.657 2.712 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014740796 553519614 /nfs/dbraw/zinc/51/96/14/553519614.db2.gz VPPLEUOIFKCOPR-SANMLTNESA-N 0 0 533.629 2.619 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014740797 553519633 /nfs/dbraw/zinc/51/96/33/553519633.db2.gz VPPLEUOIFKCOPR-AREMUKBSSA-N 0 0 533.629 2.619 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2cc(-c3ccsc3)n[nH]2)CC(=O)N(CCc2ccccc2)C1 ZINC000014741950 1059761629 /nfs/dbraw/zinc/76/16/29/1059761629.db2.gz ZOVPWHSOSCPYLI-JOCHJYFZSA-N 0 0 523.659 2.919 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2cc(-c3ccsc3)n[nH]2)CC(=O)N(CCc2ccccc2)C1 ZINC000014741951 1059761497 /nfs/dbraw/zinc/76/14/97/1059761497.db2.gz ZOVPWHSOSCPYLI-QFIPXVFZSA-N 0 0 523.659 2.919 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(C(=O)OC)cc2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014743381 553519912 /nfs/dbraw/zinc/51/99/12/553519912.db2.gz PMLGYNLDWOGBBM-RUZDIDTESA-N 0 0 511.619 2.580 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(C(=O)OC)cc2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014743382 553519864 /nfs/dbraw/zinc/51/98/64/553519864.db2.gz PMLGYNLDWOGBBM-VWLOTQADSA-N 0 0 511.619 2.580 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(NC(C)=O)cc2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014743800 553519932 /nfs/dbraw/zinc/51/99/32/553519932.db2.gz GBCYJNFPXWWXRB-AREMUKBSSA-N 0 0 510.635 2.752 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(NC(C)=O)cc2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014743801 553519960 /nfs/dbraw/zinc/51/99/60/553519960.db2.gz GBCYJNFPXWWXRB-SANMLTNESA-N 0 0 510.635 2.752 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2csc(C(C)=O)c2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014744128 553519838 /nfs/dbraw/zinc/51/98/38/553519838.db2.gz ZRZAAWHOFKEKAK-QFIPXVFZSA-N 0 0 515.632 2.698 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2csc(C(C)=O)c2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014744129 553519872 /nfs/dbraw/zinc/51/98/72/553519872.db2.gz ZRZAAWHOFKEKAK-JOCHJYFZSA-N 0 0 515.632 2.698 50 0 KFAARN COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)C3CCN(C(C)=O)CC3)CC2=O)cc1 ZINC000014744364 1059761769 /nfs/dbraw/zinc/76/17/69/1059761769.db2.gz LBMWBYROVAVLPW-RUZDIDTESA-N 0 0 511.594 2.849 50 0 KFAARN COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)C3CCN(C(C)=O)CC3)CC2=O)cc1 ZINC000014744365 1059761427 /nfs/dbraw/zinc/76/14/27/1059761427.db2.gz LBMWBYROVAVLPW-VWLOTQADSA-N 0 0 511.594 2.849 50 0 KFAARN COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)c3cc4ncccn4n3)CC2=O)cc1 ZINC000014744407 553519812 /nfs/dbraw/zinc/51/98/12/553519812.db2.gz GBFUTOVFDDWWMU-JOCHJYFZSA-N 0 0 503.534 2.947 50 0 KFAARN COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)c3cc4ncccn4n3)CC2=O)cc1 ZINC000014744408 553519851 /nfs/dbraw/zinc/51/98/51/553519851.db2.gz GBFUTOVFDDWWMU-QFIPXVFZSA-N 0 0 503.534 2.947 50 0 KFAARN O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cccnc1Oc1ccc(Cl)cc1 ZINC000014745577 553520116 /nfs/dbraw/zinc/52/01/16/553520116.db2.gz USNQFCQSTVPXAL-WTOYTKOKSA-N 0 0 506.946 2.673 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2cc3c(c(OC)c2)OCO3)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014746298 553520021 /nfs/dbraw/zinc/52/00/21/553520021.db2.gz HASRPFFTCBIZFM-HSZRJFAPSA-N 0 0 527.618 2.531 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2cc3c(c(OC)c2)OCO3)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014746299 553520110 /nfs/dbraw/zinc/52/01/10/553520110.db2.gz HASRPFFTCBIZFM-QHCPKHFHSA-N 0 0 527.618 2.531 50 0 KFAARN CCCc1c(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CSCc4ccccc4)C(=O)N3C2)cnn1-c1ccccc1 ZINC000014746387 553520095 /nfs/dbraw/zinc/52/00/95/553520095.db2.gz OOXOFJKCWWYUSR-OPHFCASCSA-N 0 0 517.655 2.956 50 0 KFAARN COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CCC3=NNC(=O)CC3)C2)c1 ZINC000014747177 553520367 /nfs/dbraw/zinc/52/03/67/553520367.db2.gz LYAVSKHAYSJQAB-RUZDIDTESA-N 0 0 506.603 2.540 50 0 KFAARN COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CCC3=NNC(=O)CC3)C2)c1 ZINC000014747178 553520300 /nfs/dbraw/zinc/52/03/00/553520300.db2.gz LYAVSKHAYSJQAB-VWLOTQADSA-N 0 0 506.603 2.540 50 0 KFAARN O=C(c1ccc(Cn2cnnn2)cc1)N1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(F)c2)C1 ZINC000014747435 1059762334 /nfs/dbraw/zinc/76/23/34/1059762334.db2.gz RKBNPYQZUPLDEQ-HHHXNRCGSA-N 0 0 528.588 2.973 50 0 KFAARN O=C(c1ccc(Cn2cnnn2)cc1)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 ZINC000014747436 1059762312 /nfs/dbraw/zinc/76/23/12/1059762312.db2.gz RKBNPYQZUPLDEQ-MHZLTWQESA-N 0 0 528.588 2.973 50 0 KFAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000014750409 553520568 /nfs/dbraw/zinc/52/05/68/553520568.db2.gz SCKUPBDRWKIHLL-KKUQBAQOSA-N 0 0 507.631 2.923 50 0 KFAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000014750410 553520468 /nfs/dbraw/zinc/52/04/68/553520468.db2.gz SCKUPBDRWKIHLL-UODIDJSMSA-N 0 0 507.631 2.923 50 0 KFAARN O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cccnc1Oc1ccc(Cl)cc1 ZINC000014751449 553520560 /nfs/dbraw/zinc/52/05/60/553520560.db2.gz USNQFCQSTVPXAL-HSQYWUDLSA-N 0 0 506.946 2.673 50 0 KFAARN Cn1ccnc1CN1C[C@H](C(=O)NCCCN2CCOCC2)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014755625 1059762248 /nfs/dbraw/zinc/76/22/48/1059762248.db2.gz OKIVDEMTGCMXAV-LEWJYISDSA-N 0 0 523.600 2.795 50 0 KFAARN COc1ccccc1-c1ccc(C(=O)NCC2(N3CCOCC3)CCCC2)c(N(C)C[C@@H]2COCCO2)n1 ZINC000014879435 553520748 /nfs/dbraw/zinc/52/07/48/553520748.db2.gz GYVCNECINXWNJA-JOCHJYFZSA-N 0 0 524.662 2.984 50 0 KFAARN COc1ccccc1-c1ccc(C(=O)NCC2(N3CCOCC3)CCCC2)c(N(C)C[C@H]2COCCO2)n1 ZINC000014879436 553520752 /nfs/dbraw/zinc/52/07/52/553520752.db2.gz GYVCNECINXWNJA-QFIPXVFZSA-N 0 0 524.662 2.984 50 0 KFAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)N(C/C=C/c3ccccc3)C2)nn1 ZINC000014882912 1059762671 /nfs/dbraw/zinc/76/26/71/1059762671.db2.gz RWMZEGQHRFNNFQ-PFDUPZECSA-N 0 0 500.603 2.742 50 0 KFAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)N(Cc3cccc(Cl)c3)C2)nn1 ZINC000014886519 553521331 /nfs/dbraw/zinc/52/13/31/553521331.db2.gz LRVBXHFPZBOTJN-VWNXMTODSA-N 0 0 509.010 2.883 50 0 KFAARN CN(C[C@@H]1COCCO1)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(c2ccc4c(c2)COC4)C3=O)C1 ZINC000014972327 553522892 /nfs/dbraw/zinc/52/28/92/553522892.db2.gz WARIENQKJPVMLV-XMSQKQJNSA-N 0 0 505.571 2.608 50 0 KFAARN CN(C[C@H]1COCCO1)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(c2ccc4c(c2)COC4)C3=O)C1 ZINC000014972333 553522880 /nfs/dbraw/zinc/52/28/80/553522880.db2.gz WARIENQKJPVMLV-GCJKJVERSA-N 0 0 505.571 2.608 50 0 KFAARN CN(C[C@@H]1COCCO1)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(c2ccc4c(c2)COC4)C3=O)C1 ZINC000014972338 553522975 /nfs/dbraw/zinc/52/29/75/553522975.db2.gz WARIENQKJPVMLV-PGRDOPGGSA-N 0 0 505.571 2.608 50 0 KFAARN CN(C[C@H]1COCCO1)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(c2ccc4c(c2)COC4)C3=O)C1 ZINC000014972342 553522928 /nfs/dbraw/zinc/52/29/28/553522928.db2.gz WARIENQKJPVMLV-AVRDEDQJSA-N 0 0 505.571 2.608 50 0 KFAARN O=S(=O)(NCCCOc1ccc(CN2CCN(c3ncccn3)CC2)cc1)c1ccc(F)cc1F ZINC000014982100 553523663 /nfs/dbraw/zinc/52/36/63/553523663.db2.gz AIMMRPPRJQTZDO-UHFFFAOYSA-N 0 0 503.575 2.824 50 0 KFAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(Cc3ccc(F)c(F)c3)C2)nn1 ZINC000014983391 1059762553 /nfs/dbraw/zinc/76/25/53/1059762553.db2.gz LBNZTNGPFPJOOU-KOSHJBKYSA-N 0 0 508.529 2.999 50 0 KFAARN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@@H](COc2cccc(CN3CCN(c4ccccc4F)CC3)c2)C1 ZINC000014985919 1059762491 /nfs/dbraw/zinc/76/24/91/1059762491.db2.gz YFCMWXCJHBTWGS-OAQYLSRUSA-N 0 0 521.593 2.868 50 0 KFAARN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@H](COc2cccc(CN3CCN(c4ccccc4F)CC3)c2)C1 ZINC000014985922 1059762356 /nfs/dbraw/zinc/76/23/56/1059762356.db2.gz YFCMWXCJHBTWGS-NRFANRHFSA-N 0 0 521.593 2.868 50 0 KFAARN O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)CC2)CC1 ZINC000014986925 553523836 /nfs/dbraw/zinc/52/38/36/553523836.db2.gz UAQFVSGBFZYSRR-UHFFFAOYSA-N 0 0 527.581 2.672 50 0 KFAARN COc1cccc(CN2C(=O)c3cccc(N4CCN(C(=O)[C@@H](O)c5ccccc5)CC4)c3C2=O)c1OC ZINC000014993113 553524203 /nfs/dbraw/zinc/52/42/03/553524203.db2.gz OOHDRANNKLBDKQ-VWLOTQADSA-N 0 0 515.566 2.882 50 0 KFAARN CCOC(=O)C1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cn(C)nc3C)C4=O)CC2)CC1 ZINC000014994277 553524436 /nfs/dbraw/zinc/52/44/36/553524436.db2.gz LTXSOWLSFJTDTH-UHFFFAOYSA-N 0 0 521.618 2.543 50 0 KFAARN CCOc1ccccc1N1CCN(Cc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)c(=O)[nH]2)CC1 ZINC000014998142 553524627 /nfs/dbraw/zinc/52/46/27/553524627.db2.gz ZPKHMXSDPLPEKH-OAQYLSRUSA-N 0 0 504.587 2.666 50 0 KFAARN CCOc1ccccc1N1CCN(Cc2ccc(C(=O)NC[C@H]3COc4ccccc4O3)c(=O)[nH]2)CC1 ZINC000014998145 553524599 /nfs/dbraw/zinc/52/45/99/553524599.db2.gz ZPKHMXSDPLPEKH-NRFANRHFSA-N 0 0 504.587 2.666 50 0 KFAARN Cc1cc(-c2ccc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c(CN3CCOCC3)c2)c2ccccc2n1 ZINC000015001886 553525003 /nfs/dbraw/zinc/52/50/03/553525003.db2.gz SBTLOADTPVSUEV-JOCHJYFZSA-N 0 0 509.628 2.725 50 0 KFAARN Cc1cc(-c2ccc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)c(CN3CCOCC3)c2)c2ccccc2n1 ZINC000015001889 553524960 /nfs/dbraw/zinc/52/49/60/553524960.db2.gz SBTLOADTPVSUEV-QFIPXVFZSA-N 0 0 509.628 2.725 50 0 KFAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3cccc(O)c3)C2)nn1 ZINC000015002651 553524858 /nfs/dbraw/zinc/52/48/58/553524858.db2.gz ZTVKHHXZLTYWNM-NQIIRXRSSA-N 0 0 503.481 2.921 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4ccc(OC)cc4[nH]c3=O)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000015018871 553526441 /nfs/dbraw/zinc/52/64/41/553526441.db2.gz QZXBQGCHSBMVFO-RWTNITNYSA-N 0 0 515.591 2.957 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4ccc(OC)cc4[nH]c3=O)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000015018872 553526469 /nfs/dbraw/zinc/52/64/69/553526469.db2.gz QZXBQGCHSBMVFO-MFUBYVTQSA-N 0 0 515.591 2.957 50 0 KFAARN C[C@H](c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1C)N1C(=O)COc2ccccc21 ZINC000015019062 553526457 /nfs/dbraw/zinc/52/64/57/553526457.db2.gz XASGIAWFWZKQHF-QGZVFWFLSA-N 0 0 508.604 2.869 50 0 KFAARN C[C@@H](c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1C)N1C(=O)COc2ccccc21 ZINC000015019063 553526425 /nfs/dbraw/zinc/52/64/25/553526425.db2.gz XASGIAWFWZKQHF-KRWDZBQOSA-N 0 0 508.604 2.869 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000015019862 553526665 /nfs/dbraw/zinc/52/66/65/553526665.db2.gz UODVUIISJDIRBV-DLBLZJNESA-N 0 0 506.580 2.968 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000015019863 553526675 /nfs/dbraw/zinc/52/66/75/553526675.db2.gz UODVUIISJDIRBV-FCKOQQNDSA-N 0 0 506.580 2.968 50 0 KFAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3ccc(F)cc3)C2)nn1 ZINC000015069224 1059763104 /nfs/dbraw/zinc/76/31/04/1059763104.db2.gz LGVOMFWDIAKKSC-UPVQGACJSA-N 0 0 510.545 2.507 50 0 KFAARN Cc1nn(C)cc1CN1C(=O)c2cccc(N3CCN(C(=O)[C@@H](O)c4ccc(Cl)cc4)CC3)c2C1=O ZINC000015071804 1059763413 /nfs/dbraw/zinc/76/34/13/1059763413.db2.gz LOZNDNRDIHBWOK-QHCPKHFHSA-N 0 0 507.978 2.560 50 0 KFAARN Cc1nn(C)cc1CN1C(=O)c2cccc(N3CCN(C(=O)[C@H](O)c4ccc(Cl)cc4)CC3)c2C1=O ZINC000015071806 1059763439 /nfs/dbraw/zinc/76/34/39/1059763439.db2.gz LOZNDNRDIHBWOK-HSZRJFAPSA-N 0 0 507.978 2.560 50 0 KFAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)c3cc(=O)n(C)c(=O)n3C)c2cc1OC ZINC000015108749 553528055 /nfs/dbraw/zinc/52/80/55/553528055.db2.gz LUOWATONTQLNKU-UHFFFAOYSA-N 0 0 520.542 2.510 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000015152891 553528461 /nfs/dbraw/zinc/52/84/61/553528461.db2.gz PZKPENWSOUIUIJ-CQSZACIVSA-N 0 0 509.968 2.503 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000015152894 553528485 /nfs/dbraw/zinc/52/84/85/553528485.db2.gz PZKPENWSOUIUIJ-AWEZNQCLSA-N 0 0 509.968 2.503 50 0 KFAARN COc1ccc(OC)c(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000015230430 553529922 /nfs/dbraw/zinc/52/99/22/553529922.db2.gz FCMDXSLUJQKSHM-UHFFFAOYSA-N 0 0 510.609 2.848 50 0 KFAARN CCOc1cc(C(=S)N2C[C@@H](C)O[C@@H](C)C2)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000015230434 553529878 /nfs/dbraw/zinc/52/98/78/553529878.db2.gz PRJBAKNRODMVPF-GASCZTMLSA-N 0 0 501.443 2.870 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000015318720 553531517 /nfs/dbraw/zinc/53/15/17/553531517.db2.gz XCTLFBCRTJJAIN-KRWDZBQOSA-N 0 0 515.588 2.633 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000015318721 553531488 /nfs/dbraw/zinc/53/14/88/553531488.db2.gz XCTLFBCRTJJAIN-QGZVFWFLSA-N 0 0 515.588 2.633 50 0 KFAARN C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015320379 553531910 /nfs/dbraw/zinc/53/19/10/553531910.db2.gz MWJXSRGNDPKFQC-SFCTUALJSA-N 0 0 506.562 2.615 50 0 KFAARN C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000015320685 553532139 /nfs/dbraw/zinc/53/21/39/553532139.db2.gz MFHRRANWHRMBCO-IOJIPJGJSA-N 0 0 520.589 2.611 50 0 KFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(=O)[nH]c1=O ZINC000015323905 553532302 /nfs/dbraw/zinc/53/23/02/553532302.db2.gz IGAPSZOQJSEXFK-UHFFFAOYSA-N 0 0 526.059 2.660 50 0 KFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(=O)[nH]c1=O ZINC000015323907 553532242 /nfs/dbraw/zinc/53/22/42/553532242.db2.gz PKHRGAHQXWZQPF-UHFFFAOYSA-N 0 0 519.668 2.705 50 0 KFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(=O)[nH]c1=O ZINC000015323909 553532276 /nfs/dbraw/zinc/53/22/76/553532276.db2.gz GSAYJZGCUFWKKX-UHFFFAOYSA-N 0 0 519.668 2.705 50 0 KFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000015327414 553532557 /nfs/dbraw/zinc/53/25/57/553532557.db2.gz BTWZTRBNLFITHB-MHZLTWQESA-N 0 0 526.590 2.735 50 0 KFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000015327416 553532546 /nfs/dbraw/zinc/53/25/46/553532546.db2.gz BTWZTRBNLFITHB-HHHXNRCGSA-N 0 0 526.590 2.735 50 0 KFAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NCc4cccs4)cc1)N(C)CC3)OCO2 ZINC000015414882 553532862 /nfs/dbraw/zinc/53/28/62/553532862.db2.gz XADPTNSBKZDHIE-OAQYLSRUSA-N 0 0 504.572 2.968 50 0 biogenic KFAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NCc4cccs4)cc1)N(C)CC3)OCO2 ZINC000015414885 553532880 /nfs/dbraw/zinc/53/28/80/553532880.db2.gz XADPTNSBKZDHIE-NRFANRHFSA-N 0 0 504.572 2.968 50 0 biogenic KFAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NCCc4ccccc4)cc1)N(C)CC3)OCO2 ZINC000015414933 553532764 /nfs/dbraw/zinc/53/27/64/553532764.db2.gz XYDGLNJMZSKRMM-XMMPIXPASA-N 0 0 512.570 2.949 50 0 biogenic KFAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NCCc4ccccc4)cc1)N(C)CC3)OCO2 ZINC000015414934 553532755 /nfs/dbraw/zinc/53/27/55/553532755.db2.gz XYDGLNJMZSKRMM-DEOSSOPVSA-N 0 0 512.570 2.949 50 0 biogenic KFAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)NCCc4ccccc4)c1)N(C)CC3)OCO2 ZINC000015415425 553532999 /nfs/dbraw/zinc/53/29/99/553532999.db2.gz KRFFDJNVNZNBGU-XMMPIXPASA-N 0 0 512.570 2.949 50 0 biogenic KFAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)NCCc4ccccc4)c1)N(C)CC3)OCO2 ZINC000015415428 553533038 /nfs/dbraw/zinc/53/30/38/553533038.db2.gz KRFFDJNVNZNBGU-DEOSSOPVSA-N 0 0 512.570 2.949 50 0 biogenic KFAARN O=C(CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1)c1ccccc1 ZINC000015441332 553533312 /nfs/dbraw/zinc/53/33/12/553533312.db2.gz SYVNRRCWQLLOOY-UHFFFAOYSA-N 0 0 504.615 2.786 50 0 KFAARN COC(=O)c1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000015481701 553533502 /nfs/dbraw/zinc/53/35/02/553533502.db2.gz VWMNFQUDJXIALQ-QFIPXVFZSA-N 0 0 508.552 2.999 50 0 KFAARN COC(=O)c1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000015481703 553533431 /nfs/dbraw/zinc/53/34/31/553533431.db2.gz VWMNFQUDJXIALQ-JOCHJYFZSA-N 0 0 508.552 2.999 50 0 KFAARN Nn1c(COc2ccc(F)cc2)nnc1SCC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000015623719 553533672 /nfs/dbraw/zinc/53/36/72/553533672.db2.gz CRLBPZFVKVQGDY-UHFFFAOYSA-N 0 0 510.345 2.975 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000015659529 553533905 /nfs/dbraw/zinc/53/39/05/553533905.db2.gz QYMIXTGMKUXSQF-FJWZAKCXSA-N 0 0 522.579 2.602 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000015659531 553533922 /nfs/dbraw/zinc/53/39/22/553533922.db2.gz QYMIXTGMKUXSQF-RQLGBQGVSA-N 0 0 522.579 2.602 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000015659554 553533880 /nfs/dbraw/zinc/53/38/80/553533880.db2.gz QAFXIQCQEGZAPL-XOYGFPHKSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000015659556 553533908 /nfs/dbraw/zinc/53/39/08/553533908.db2.gz QAFXIQCQEGZAPL-YJADQXIJSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000015659670 553534082 /nfs/dbraw/zinc/53/40/82/553534082.db2.gz AWUJQOHTFHUCKE-VOMPUTFMSA-N 0 0 500.598 2.886 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000015659672 553534105 /nfs/dbraw/zinc/53/41/05/553534105.db2.gz AWUJQOHTFHUCKE-YWFITGJYSA-N 0 0 500.598 2.886 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(NC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000015723163 553535295 /nfs/dbraw/zinc/53/52/95/553535295.db2.gz CRQRFNHNRSGVTL-RWTNITNYSA-N 0 0 521.595 2.774 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(NC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000015723166 553535328 /nfs/dbraw/zinc/53/53/28/553535328.db2.gz CRQRFNHNRSGVTL-MFUBYVTQSA-N 0 0 521.595 2.774 50 0 KFAARN CCOc1ccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1OCC ZINC000015723780 553535304 /nfs/dbraw/zinc/53/53/04/553535304.db2.gz MKWIMDMJQDPDTE-GDLZYMKVSA-N 0 0 533.629 2.814 50 0 KFAARN CCOc1ccc(CCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1OCC ZINC000015723783 553535314 /nfs/dbraw/zinc/53/53/14/553535314.db2.gz MKWIMDMJQDPDTE-LJAQVGFWSA-N 0 0 533.629 2.814 50 0 KFAARN COc1ccc(CCNC(=O)C2=C(C)C(=O)OC23CCN(S(=O)(=O)c2cccs2)CC3)cc1OC ZINC000015731399 553535490 /nfs/dbraw/zinc/53/54/90/553535490.db2.gz GOEOCSIJANUGPV-UHFFFAOYSA-N 0 0 520.629 2.521 50 0 biogenic KFAARN CCCN1C(=O)c2c(C(=O)NCc3cc(OC)c(OC)c(OC)c3)ncn2C[C@@]1(C)C(=O)NCCC(C)C ZINC000015735695 553535788 /nfs/dbraw/zinc/53/57/88/553535788.db2.gz HNRCQYQGUPWPQX-MHZLTWQESA-N 0 0 529.638 2.626 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3cc(OC)c(OC)c(OC)c3)ncn2C[C@]1(C)C(=O)NCCC(C)C ZINC000015735697 553535774 /nfs/dbraw/zinc/53/57/74/553535774.db2.gz HNRCQYQGUPWPQX-HHHXNRCGSA-N 0 0 529.638 2.626 50 0 KFAARN COc1ccc(C)cc1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@H](C)C1=O ZINC000015785583 553536421 /nfs/dbraw/zinc/53/64/21/553536421.db2.gz LKWLEEPQZSEULZ-KRWDZBQOSA-N 0 0 519.645 2.738 50 0 KFAARN COc1ccc(C)cc1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@@H](C)C1=O ZINC000015785584 553536410 /nfs/dbraw/zinc/53/64/10/553536410.db2.gz LKWLEEPQZSEULZ-QGZVFWFLSA-N 0 0 519.645 2.738 50 0 KFAARN CCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2ccc(Br)cc2)C1=S ZINC000015799204 553536724 /nfs/dbraw/zinc/53/67/24/553536724.db2.gz COMJLDPRADDWJG-GOSISDBHSA-N 0 0 503.422 2.661 50 0 KFAARN CCN1C(=O)[C@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2ccc(Br)cc2)C1=S ZINC000015799207 553536752 /nfs/dbraw/zinc/53/67/52/553536752.db2.gz COMJLDPRADDWJG-SFHVURJKSA-N 0 0 503.422 2.661 50 0 KFAARN COC(=O)CN1C(=S)N(CCc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000015799350 553536791 /nfs/dbraw/zinc/53/67/91/553536791.db2.gz FFNNHAFPFNFXHD-SFHVURJKSA-N 0 0 504.406 2.991 50 0 KFAARN COC(=O)CN1C(=S)N(CCc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000015799351 553536805 /nfs/dbraw/zinc/53/68/05/553536805.db2.gz FFNNHAFPFNFXHD-GOSISDBHSA-N 0 0 504.406 2.991 50 0 KFAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)N4CCC5(CC4)OCCO5)cc3)S2(=O)=O)cc1 ZINC000015864513 553538825 /nfs/dbraw/zinc/53/88/25/553538825.db2.gz UXKLNLZZKXBWTL-UHFFFAOYSA-N 0 0 512.584 2.778 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000015865872 553538958 /nfs/dbraw/zinc/53/89/58/553538958.db2.gz VVCHCQRSGQVEKZ-UHFFFAOYSA-N 0 0 507.701 2.752 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2C)CC1 ZINC000015865873 553538915 /nfs/dbraw/zinc/53/89/15/553538915.db2.gz HMROFPUGHSYHOL-UHFFFAOYSA-N 0 0 501.653 2.779 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000015865883 553538949 /nfs/dbraw/zinc/53/89/49/553538949.db2.gz JLVOJPYDXRIVNJ-UHFFFAOYSA-N 0 0 501.653 2.779 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000015865884 553538899 /nfs/dbraw/zinc/53/88/99/553538899.db2.gz SYAWRXPGOAADBT-UHFFFAOYSA-N 0 0 501.653 2.779 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000015865886 553539251 /nfs/dbraw/zinc/53/92/51/553539251.db2.gz PQTWLAXXGOZUHE-UHFFFAOYSA-N 0 0 501.653 2.779 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000015865888 553539268 /nfs/dbraw/zinc/53/92/68/553539268.db2.gz JCDGUXAFCKPGDV-UHFFFAOYSA-N 0 0 501.653 2.779 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000015865889 553539224 /nfs/dbraw/zinc/53/92/24/553539224.db2.gz DCPFRJDANOMTMK-UHFFFAOYSA-N 0 0 505.616 2.609 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000015865890 553539249 /nfs/dbraw/zinc/53/92/49/553539249.db2.gz BYZRIPJSRPBRJT-UHFFFAOYSA-N 0 0 526.034 2.954 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2C)CC1 ZINC000015865892 553539206 /nfs/dbraw/zinc/53/92/06/553539206.db2.gz YRCNTDDTCKUBQX-UHFFFAOYSA-N 0 0 505.616 2.609 50 0 KFAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000015865895 553539271 /nfs/dbraw/zinc/53/92/71/553539271.db2.gz MKTSDNQJRHHAJV-UHFFFAOYSA-N 0 0 527.691 2.939 50 0 KFAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 ZINC000015865896 553539287 /nfs/dbraw/zinc/53/92/87/553539287.db2.gz OYJPQZBSDCYEOT-UHFFFAOYSA-N 0 0 513.664 2.549 50 0 KFAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000015865897 553539228 /nfs/dbraw/zinc/53/92/28/553539228.db2.gz DFQSCXAJQMMGEN-UHFFFAOYSA-N 0 0 527.691 2.893 50 0 KFAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000015865902 553539254 /nfs/dbraw/zinc/53/92/54/553539254.db2.gz PWPHMPZUJFRPTC-UHFFFAOYSA-N 0 0 513.664 2.502 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000015865920 553539236 /nfs/dbraw/zinc/53/92/36/553539236.db2.gz LUSXOYRSXNWBGZ-QGZVFWFLSA-N 0 0 507.609 2.875 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000015865921 553539221 /nfs/dbraw/zinc/53/92/21/553539221.db2.gz LUSXOYRSXNWBGZ-KRWDZBQOSA-N 0 0 507.609 2.875 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000015865922 553539281 /nfs/dbraw/zinc/53/92/81/553539281.db2.gz WRXWSTFZAQGKIV-QGZVFWFLSA-N 0 0 507.609 2.875 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000015865923 553539230 /nfs/dbraw/zinc/53/92/30/553539230.db2.gz WRXWSTFZAQGKIV-KRWDZBQOSA-N 0 0 507.609 2.875 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000015865932 553539284 /nfs/dbraw/zinc/53/92/84/553539284.db2.gz UKIJCWGLPUTHFI-QGZVFWFLSA-N 0 0 507.609 2.875 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000015865933 553539508 /nfs/dbraw/zinc/53/95/08/553539508.db2.gz UKIJCWGLPUTHFI-KRWDZBQOSA-N 0 0 507.609 2.875 50 0 KFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000015866013 553539470 /nfs/dbraw/zinc/53/94/70/553539470.db2.gz AACHFDAPQLCOKE-LJQANCHMSA-N 0 0 519.620 2.747 50 0 KFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000015866014 553539505 /nfs/dbraw/zinc/53/95/05/553539505.db2.gz AACHFDAPQLCOKE-IBGZPJMESA-N 0 0 519.620 2.747 50 0 KFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000015866056 553539669 /nfs/dbraw/zinc/53/96/69/553539669.db2.gz HYZVXHUWBJVYFH-UHFFFAOYSA-N 0 0 511.044 2.582 50 0 KFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015866058 553539630 /nfs/dbraw/zinc/53/96/30/553539630.db2.gz SHUJEOPXSBLXGH-UHFFFAOYSA-N 0 0 511.044 2.582 50 0 KFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000015866059 553539620 /nfs/dbraw/zinc/53/96/20/553539620.db2.gz OXSQPBGCFPAAFD-UHFFFAOYSA-N 0 0 504.653 2.545 50 0 KFAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000015866060 553539626 /nfs/dbraw/zinc/53/96/26/553539626.db2.gz GNEKVFXFRVJLGF-UHFFFAOYSA-N 0 0 504.653 2.545 50 0 KFAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)nn1 ZINC000015880813 553539987 /nfs/dbraw/zinc/53/99/87/553539987.db2.gz PSASRWYCBSEACF-UHFFFAOYSA-N 0 0 500.602 2.974 50 0 KFAARN O=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000015906025 553540363 /nfs/dbraw/zinc/54/03/63/553540363.db2.gz VPTRUOYXHUOGRV-UHFFFAOYSA-N 0 0 507.779 2.933 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015913098 553542122 /nfs/dbraw/zinc/54/21/22/553542122.db2.gz LOZGDQSAQWYCGE-UHFFFAOYSA-N 0 0 516.041 2.782 50 0 KFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000015934629 553542584 /nfs/dbraw/zinc/54/25/84/553542584.db2.gz JNOHSCGTIKNFFD-UHFFFAOYSA-N 0 0 515.009 2.714 50 0 KFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000015934964 553542832 /nfs/dbraw/zinc/54/28/32/553542832.db2.gz PJENSQMFROHWEN-OAQYLSRUSA-N 0 0 504.561 2.666 50 0 KFAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000015934965 553542816 /nfs/dbraw/zinc/54/28/16/553542816.db2.gz PJENSQMFROHWEN-NRFANRHFSA-N 0 0 504.561 2.666 50 0 KFAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCOCC2)c2ccccc21 ZINC000015936422 553542788 /nfs/dbraw/zinc/54/27/88/553542788.db2.gz ZUNGPURSLIJBNJ-QNGOZBTKSA-N 0 0 517.007 2.579 50 0 KFAARN COc1cc(NC(=O)CCNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1OC ZINC000015936956 553543102 /nfs/dbraw/zinc/54/31/02/553543102.db2.gz UJQHYPCBHOEVFX-UHFFFAOYSA-N 0 0 500.577 2.508 50 0 KFAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O ZINC000015940425 553543272 /nfs/dbraw/zinc/54/32/72/553543272.db2.gz AWNBTEQHYVVFKZ-QHCPKHFHSA-N 0 0 504.996 2.920 50 0 KFAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O ZINC000015940427 553543254 /nfs/dbraw/zinc/54/32/54/553543254.db2.gz AWNBTEQHYVVFKZ-HSZRJFAPSA-N 0 0 504.996 2.920 50 0 KFAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1 ZINC000015940455 553543188 /nfs/dbraw/zinc/54/31/88/553543188.db2.gz DXOTUIXQXYCBOJ-UHFFFAOYSA-N 0 0 514.648 2.635 50 0 KFAARN CCCCN(C(=O)COC(=O)CSc1cc(C)c2ccccc2n1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000015940635 553543249 /nfs/dbraw/zinc/54/32/49/553543249.db2.gz BOYXOEAYMBABHF-UHFFFAOYSA-N 0 0 513.620 2.854 50 0 KFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(=O)[nH]c1=O ZINC000015940791 553543440 /nfs/dbraw/zinc/54/34/40/553543440.db2.gz FWNPYXCDXVJSAB-UHFFFAOYSA-N 0 0 519.668 2.786 50 0 KFAARN CCOc1ccc(OCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000015940851 553543418 /nfs/dbraw/zinc/54/34/18/553543418.db2.gz LGWBYGSBDPFLKJ-UHFFFAOYSA-N 0 0 510.996 2.584 50 0 KFAARN COC(=O)c1ccc(Cn2nnc3c2nc([C@@H]2CCCN(S(=O)(=O)c4ccc(C)cc4)C2)[nH]c3=O)cc1 ZINC000015941224 553543434 /nfs/dbraw/zinc/54/34/34/553543434.db2.gz PBEZDRRUBRWTGT-LJQANCHMSA-N 0 0 522.587 2.639 50 0 KFAARN COC(=O)c1ccc(Cn2nnc3c2nc([C@H]2CCCN(S(=O)(=O)c4ccc(C)cc4)C2)[nH]c3=O)cc1 ZINC000015941226 553543403 /nfs/dbraw/zinc/54/34/03/553543403.db2.gz PBEZDRRUBRWTGT-IBGZPJMESA-N 0 0 522.587 2.639 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc5c(c4)OCCO5)c(=O)[nH]3)C2)cc1 ZINC000015941228 553543396 /nfs/dbraw/zinc/54/33/96/553543396.db2.gz AHNUFWZOYAGBOF-GOSISDBHSA-N 0 0 522.587 2.623 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc5c(c4)OCCO5)c(=O)[nH]3)C2)cc1 ZINC000015941231 553543424 /nfs/dbraw/zinc/54/34/24/553543424.db2.gz AHNUFWZOYAGBOF-SFHVURJKSA-N 0 0 522.587 2.623 50 0 KFAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000015944122 553543642 /nfs/dbraw/zinc/54/36/42/553543642.db2.gz WVKSIKRDJRATLY-UHFFFAOYSA-N 0 0 523.586 2.881 50 0 KFAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000015944127 553543765 /nfs/dbraw/zinc/54/37/65/553543765.db2.gz YPYOWCCAWHWCCO-UHFFFAOYSA-N 0 0 523.586 2.881 50 0 KFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000015978723 553548171 /nfs/dbraw/zinc/54/81/71/553548171.db2.gz ONIQOWDWWXFVSY-UHFFFAOYSA-N 0 0 512.679 2.547 50 0 KFAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c1C ZINC000015979470 553548335 /nfs/dbraw/zinc/54/83/35/553548335.db2.gz AOMCGGZIEQLKFW-UHFFFAOYSA-N 0 0 523.677 2.579 50 0 KFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2F)C(C)C)c1 ZINC000015980311 553548503 /nfs/dbraw/zinc/54/85/03/553548503.db2.gz RRFSZSGBFCZZPM-QFIPXVFZSA-N 0 0 525.574 2.932 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc43)CC2)cc1 ZINC000015980362 553548511 /nfs/dbraw/zinc/54/85/11/553548511.db2.gz ZPWZPFPZLBENAC-UHFFFAOYSA-N 0 0 502.596 2.900 50 0 KFAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000015980474 553548532 /nfs/dbraw/zinc/54/85/32/553548532.db2.gz QVIMTBGNONRUAV-DEOSSOPVSA-N 0 0 523.611 2.823 50 0 KFAARN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1S(=O)(=O)N(C)C ZINC000015980605 553548632 /nfs/dbraw/zinc/54/86/32/553548632.db2.gz PEVUHXQEOCCSQQ-UHFFFAOYSA-N 0 0 521.551 2.841 50 0 KFAARN COc1ccc(CCNC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1OC ZINC000015980815 553548674 /nfs/dbraw/zinc/54/86/74/553548674.db2.gz TWJHMSMBQYVMEL-RTBURBONSA-N 0 0 518.632 2.886 50 0 KFAARN COc1ccc(CCNC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1OC ZINC000015980817 553548645 /nfs/dbraw/zinc/54/86/45/553548645.db2.gz TWJHMSMBQYVMEL-OALUTQOASA-N 0 0 518.632 2.886 50 0 KFAARN COc1ccc(CCNC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1OC ZINC000015980819 553548605 /nfs/dbraw/zinc/54/86/05/553548605.db2.gz TWJHMSMBQYVMEL-KDURUIRLSA-N 0 0 518.632 2.886 50 0 KFAARN CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000015981123 553548891 /nfs/dbraw/zinc/54/88/91/553548891.db2.gz CPGSOXVJAFCYEO-UHFFFAOYSA-N 0 0 504.609 2.741 50 0 KFAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4cccc(Br)c4)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1 ZINC000015987341 553549243 /nfs/dbraw/zinc/54/92/43/553549243.db2.gz LOCPYPYMRKFPJL-XSDIEEQYSA-N 0 0 508.328 2.971 50 0 KFAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](CC(N)=O)N[C@]12c1cc(Br)ccc1NC2=O ZINC000016027175 553551365 /nfs/dbraw/zinc/55/13/65/553551365.db2.gz QXHHTWPQPJNDRS-QENPMARHSA-N 0 0 507.772 2.751 50 0 KFAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CC(N)=O)N[C@]12c1cc(Br)ccc1NC2=O ZINC000016027182 553551350 /nfs/dbraw/zinc/55/13/50/553551350.db2.gz QXHHTWPQPJNDRS-BRZCCTTDSA-N 0 0 507.772 2.751 50 0 KFAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000016032440 553551582 /nfs/dbraw/zinc/55/15/82/553551582.db2.gz VLJLJGASSMFFLW-UWJYYQICSA-N 0 0 538.686 2.832 50 0 biogenic KFAARN COc1ccc(CNC(=O)[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1 ZINC000016033455 553551604 /nfs/dbraw/zinc/55/16/04/553551604.db2.gz BWUACECSQHPFNL-XMMPIXPASA-N 0 0 501.649 2.862 50 0 KFAARN CC1CCN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CC1 ZINC000016035691 553552353 /nfs/dbraw/zinc/55/23/53/553552353.db2.gz XYEULMBFFRCSEZ-UHFFFAOYSA-N 0 0 503.596 2.752 50 0 KFAARN COc1ccc(CCNC(=O)[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1 ZINC000016039294 553552739 /nfs/dbraw/zinc/55/27/39/553552739.db2.gz ITGLJAFSVJDFKD-RUZDIDTESA-N 0 0 515.676 2.904 50 0 KFAARN O=C(/C=C/c1cnc2ccccc2n1)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000016043629 553553295 /nfs/dbraw/zinc/55/32/95/553553295.db2.gz VXBFWRVSMMTFBK-ZRDIBKRKSA-N 0 0 516.579 2.873 50 0 KFAARN CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000016043964 553553583 /nfs/dbraw/zinc/55/35/83/553553583.db2.gz MXIIRMDJYJCLTG-SFHVURJKSA-N 0 0 516.538 2.924 50 0 KFAARN CCC(=O)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000016043965 553553558 /nfs/dbraw/zinc/55/35/58/553553558.db2.gz MXIIRMDJYJCLTG-GOSISDBHSA-N 0 0 516.538 2.924 50 0 KFAARN CN(C)S(=O)(=O)c1cccc(CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1 ZINC000016044062 553553564 /nfs/dbraw/zinc/55/35/64/553553564.db2.gz YPUDSHFANSJAAH-UHFFFAOYSA-N 0 0 502.662 2.661 50 0 KFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016044101 553553590 /nfs/dbraw/zinc/55/35/90/553553590.db2.gz FCRTZHDTAFTPFR-UHFFFAOYSA-N 0 0 507.996 2.769 50 0 KFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)NC(=O)NCc1ccco1 ZINC000016044235 553553746 /nfs/dbraw/zinc/55/37/46/553553746.db2.gz VMSBMBPUSYOAIL-UHFFFAOYSA-N 0 0 518.375 2.556 50 0 KFAARN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)c12 ZINC000016044255 553553740 /nfs/dbraw/zinc/55/37/40/553553740.db2.gz NRBSCOFWFRJVQU-IBGZPJMESA-N 0 0 504.568 2.856 50 0 KFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 ZINC000016044502 553554077 /nfs/dbraw/zinc/55/40/77/553554077.db2.gz IELPTQJYRADEPY-UHFFFAOYSA-N 0 0 508.556 2.552 50 0 KFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)ccc1C ZINC000016044761 553554274 /nfs/dbraw/zinc/55/42/74/553554274.db2.gz ZFGKYHGRGQLORA-UHFFFAOYSA-N 0 0 518.560 2.817 50 0 KFAARN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C ZINC000016044882 553554396 /nfs/dbraw/zinc/55/43/96/553554396.db2.gz HNZWAQHCMWZOOF-INIZCTEOSA-N 0 0 517.633 2.631 50 0 KFAARN COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C ZINC000016044883 553554419 /nfs/dbraw/zinc/55/44/19/553554419.db2.gz HNZWAQHCMWZOOF-MRXNPFEDSA-N 0 0 517.633 2.631 50 0 KFAARN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000016044986 553554399 /nfs/dbraw/zinc/55/43/99/553554399.db2.gz AHCCJGQFLONAGE-LLVKDONJSA-N 0 0 501.405 2.751 50 0 KFAARN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000016044987 553554367 /nfs/dbraw/zinc/55/43/67/553554367.db2.gz AHCCJGQFLONAGE-NSHDSACASA-N 0 0 501.405 2.751 50 0 KFAARN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000016046174 553554634 /nfs/dbraw/zinc/55/46/34/553554634.db2.gz ZEDZVTYRRHKAGK-UHFFFAOYSA-N 0 0 522.599 2.818 50 0 KFAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(NC(C)=O)cc4)n3n2)cc1OC ZINC000016047682 553554632 /nfs/dbraw/zinc/55/46/32/553554632.db2.gz HBTFYSYNIAHBSW-UHFFFAOYSA-N 0 0 501.590 2.954 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C(=O)c4ccccc4)cc3)CC2)cc1 ZINC000016050348 553555036 /nfs/dbraw/zinc/55/50/36/553555036.db2.gz GLKAULPWFDBKAE-UHFFFAOYSA-N 0 0 506.580 2.916 50 0 KFAARN O=C(CCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)CC1)NCc1ccncc1 ZINC000016080263 553555377 /nfs/dbraw/zinc/55/53/77/553555377.db2.gz OPCVDQPMDMCCDP-UHFFFAOYSA-N 0 0 505.040 2.976 50 0 KFAARN COc1c(S(=O)(=O)NCc2ccccc2)cc(S(=O)(=O)NCc2ccccc2)c(OC)c1OC ZINC000016194438 553556325 /nfs/dbraw/zinc/55/63/25/553556325.db2.gz SLPLBHZIOTXOOY-UHFFFAOYSA-N 0 0 506.602 2.669 50 0 KFAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(C)(=O)=O)c1 ZINC000016215290 553556831 /nfs/dbraw/zinc/55/68/31/553556831.db2.gz JJDXXWRQHKNORF-UHFFFAOYSA-N 0 0 525.649 2.673 50 0 KFAARN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(C)(=O)=O)c(OC)c1 ZINC000016215521 553556853 /nfs/dbraw/zinc/55/68/53/553556853.db2.gz HGGNVOBLRSWJEG-UHFFFAOYSA-N 0 0 525.649 2.673 50 0 KFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000016282130 553558291 /nfs/dbraw/zinc/55/82/91/553558291.db2.gz IYFFRQRCYCVXEY-UHFFFAOYSA-N 0 0 513.366 2.735 50 0 KFAARN COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1 ZINC000016285745 553558874 /nfs/dbraw/zinc/55/88/74/553558874.db2.gz IFIFSPZXCHVDED-UHFFFAOYSA-N 0 0 509.628 2.944 50 0 KFAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000016319369 553560005 /nfs/dbraw/zinc/56/00/05/553560005.db2.gz QYCOZHLHKQJXBL-UHFFFAOYSA-N 0 0 523.611 2.617 50 0 KFAARN CCN1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000016346428 553560655 /nfs/dbraw/zinc/56/06/55/553560655.db2.gz OTGSYLJHKVJMMC-UHFFFAOYSA-N 0 0 512.028 2.725 50 0 KFAARN CCN1CCN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000016347263 553560628 /nfs/dbraw/zinc/56/06/28/553560628.db2.gz KJVJVLOREADEOC-UHFFFAOYSA-N 0 0 513.401 2.651 50 0 KFAARN O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1)c1cc(F)c(F)cc1Cl ZINC000016385495 553562056 /nfs/dbraw/zinc/56/20/56/553562056.db2.gz LNLYMDXEKZYQTC-UHFFFAOYSA-N 0 0 501.939 2.728 50 0 KFAARN O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 ZINC000016393155 1059763322 /nfs/dbraw/zinc/76/33/22/1059763322.db2.gz TZGRXHAJTIZKTB-UHFFFAOYSA-N 0 0 516.959 2.697 50 0 KFAARN COc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3cc(C)n(CC(=O)NCc4ccco4)n3)C2)cc1Cl ZINC000016424891 553562780 /nfs/dbraw/zinc/56/27/80/553562780.db2.gz DASILCIPYOTHBM-HXUWFJFHSA-N 0 0 501.927 2.903 50 0 KFAARN COc1cc(OC)c(C2=NO[C@H](C(=O)Nc3cc(C)n(CC(=O)NCc4ccco4)n3)C2)cc1Cl ZINC000016424894 553562851 /nfs/dbraw/zinc/56/28/51/553562851.db2.gz DASILCIPYOTHBM-FQEVSTJZSA-N 0 0 501.927 2.903 50 0 KFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(Cc4cccc(F)c4)nc(N4CCOCC4)c3C2)cc1 ZINC000016532706 553567305 /nfs/dbraw/zinc/56/73/05/553567305.db2.gz MJDSOFGSSKZMSL-UHFFFAOYSA-N 0 0 525.606 2.749 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000016606983 553569054 /nfs/dbraw/zinc/56/90/54/553569054.db2.gz SNCWOVSTPBCGDM-HVUZKSCUSA-N 0 0 507.612 2.961 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000016606986 553569065 /nfs/dbraw/zinc/56/90/65/553569065.db2.gz SNCWOVSTPBCGDM-VNSJDZJPSA-N 0 0 507.612 2.961 50 0 KFAARN COc1cc(OC)cc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCC(C)C)CN3c2ccccc2)c1 ZINC000016612561 553569862 /nfs/dbraw/zinc/56/98/62/553569862.db2.gz RRIZWJOLBVUSEJ-UHFFFAOYSA-N 0 0 508.619 2.757 50 0 KFAARN COc1ccc(CCNC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)C4CCC4)CC3)C2=O)cc1OC ZINC000016612593 553569795 /nfs/dbraw/zinc/56/97/95/553569795.db2.gz HWUPWKVKZBJGRR-UHFFFAOYSA-N 0 0 534.657 2.830 50 0 KFAARN COCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1=O ZINC000016612666 553569846 /nfs/dbraw/zinc/56/98/46/553569846.db2.gz RBUNBZDLBWVJOK-UHFFFAOYSA-N 0 0 508.663 2.633 50 0 KFAARN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1=O)N1CCOCC1 ZINC000016612894 553570044 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MLHQOBCPIDPWDD-XMMPIXPASA-N 0 0 505.619 2.963 50 0 KFAARN CCNC(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3cccc4ccccc43)CC2)C1=O ZINC000016613217 553570171 /nfs/dbraw/zinc/57/01/71/553570171.db2.gz QLXSGYJPIORNLA-UHFFFAOYSA-N 0 0 506.628 2.806 50 0 KFAARN CN(C)C(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O ZINC000016613221 553570223 /nfs/dbraw/zinc/57/02/23/553570223.db2.gz MPKGLPYZFWBHIU-UHFFFAOYSA-N 0 0 512.676 2.902 50 0 KFAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000016679922 553572060 /nfs/dbraw/zinc/57/20/60/553572060.db2.gz QGIQMSXODMZKCL-UGUGFTGJSA-N 0 0 517.607 2.932 50 0 KFAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000016679923 553572029 /nfs/dbraw/zinc/57/20/29/553572029.db2.gz QGIQMSXODMZKCL-FEYWKWKCSA-N 0 0 517.607 2.932 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)cc(OC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC ZINC000016682384 553572362 /nfs/dbraw/zinc/57/23/62/553572362.db2.gz 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553574397 /nfs/dbraw/zinc/57/43/97/553574397.db2.gz SADYBNWTXQYPHK-JGTYQCAFSA-N 0 0 522.579 2.741 50 0 KFAARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccco4)c(=O)n32)ccc1OC(C)=O ZINC000016700724 553574577 /nfs/dbraw/zinc/57/45/77/553574577.db2.gz DROUJKDZBQBDLF-YOKWNPFVSA-N 0 0 510.568 2.961 50 0 KFAARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccco4)c(=O)n32)ccc1OC(C)=O ZINC000016700727 553574624 /nfs/dbraw/zinc/57/46/24/553574624.db2.gz DROUJKDZBQBDLF-NWKGEQBZSA-N 0 0 510.568 2.961 50 0 KFAARN COC(=O)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4c(F)cccc4Cl)c(=O)n32)cc1 ZINC000016711773 553574999 /nfs/dbraw/zinc/57/49/99/553574999.db2.gz FZZSREYQDOPWJP-BUDOKORBSA-N 0 0 500.935 2.987 50 0 KFAARN COC(=O)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4c(F)cccc4Cl)c(=O)n32)cc1 ZINC000016711776 553574997 /nfs/dbraw/zinc/57/49/97/553574997.db2.gz FZZSREYQDOPWJP-OBXYEHHASA-N 0 0 500.935 2.987 50 0 KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000016713840 553575326 /nfs/dbraw/zinc/57/53/26/553575326.db2.gz MGJNHCMPKMLXTA-JDCXBEBJSA-N 0 0 506.580 2.520 50 0 KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000016713842 553575413 /nfs/dbraw/zinc/57/54/13/553575413.db2.gz MGJNHCMPKMLXTA-QFVBLGFASA-N 0 0 506.580 2.520 50 0 KFAARN COc1ccc(-c2nc3s/c(=C4/c5ccccc5N(CC(=O)Nc5ccccc5)C4=O)c(=O)n3n2)cc1 ZINC000016729356 553575589 /nfs/dbraw/zinc/57/55/89/553575589.db2.gz MCUXKGLOKOOIOY-FCQUAONHSA-N 0 0 509.547 2.730 50 0 KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1cccs1 ZINC000016730147 553576312 /nfs/dbraw/zinc/57/63/12/553576312.db2.gz VTBHBFURLDSIDS-UBXANZILSA-N 0 0 500.598 2.504 50 0 KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1cccs1 ZINC000016730149 553576347 /nfs/dbraw/zinc/57/63/47/553576347.db2.gz VTBHBFURLDSIDS-YMFQVDJJSA-N 0 0 500.598 2.504 50 0 KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1cccs1 ZINC000016730441 553576543 /nfs/dbraw/zinc/57/65/43/553576543.db2.gz LXJVGHFNFLNFGP-MTGKDYNDSA-N 0 0 500.598 2.504 50 0 KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1cccs1 ZINC000016730444 553576415 /nfs/dbraw/zinc/57/64/15/553576415.db2.gz LXJVGHFNFLNFGP-LVSKKATPSA-N 0 0 500.598 2.504 50 0 KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1cccs1 ZINC000016730779 553576687 /nfs/dbraw/zinc/57/66/87/553576687.db2.gz MHEJBRMEOJVXDB-PRWBYUBPSA-N 0 0 500.598 2.504 50 0 KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1cccs1 ZINC000016730782 553576690 /nfs/dbraw/zinc/57/66/90/553576690.db2.gz MHEJBRMEOJVXDB-SRKIZSPNSA-N 0 0 500.598 2.504 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000016732789 553577666 /nfs/dbraw/zinc/57/76/66/553577666.db2.gz BIFPIFLIZPBHNY-MGSPXPDISA-N 0 0 522.579 2.741 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000016732792 553577722 /nfs/dbraw/zinc/57/77/22/553577722.db2.gz BIFPIFLIZPBHNY-XPCGLTFESA-N 0 0 522.579 2.741 50 0 KFAARN NC(=O)COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000016742435 553580407 /nfs/dbraw/zinc/58/04/07/553580407.db2.gz WFVWTCPWXIBLDU-QHCPKHFHSA-N 0 0 511.962 2.578 50 0 KFAARN NC(=O)COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000016742436 553580446 /nfs/dbraw/zinc/58/04/46/553580446.db2.gz WFVWTCPWXIBLDU-HSZRJFAPSA-N 0 0 511.962 2.578 50 0 KFAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(OCC(N)=O)cc1)N(CCCN1CCOCC1)C3=O ZINC000016750640 553580619 /nfs/dbraw/zinc/58/06/19/553580619.db2.gz QOERZABKWYBEFO-VWLOTQADSA-N 0 0 505.571 2.541 50 0 KFAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(OCC(N)=O)cc1)N(CCCN1CCOCC1)C3=O ZINC000016750643 553580593 /nfs/dbraw/zinc/58/05/93/553580593.db2.gz QOERZABKWYBEFO-RUZDIDTESA-N 0 0 505.571 2.541 50 0 KFAARN CC(C)(C)c1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016752728 553580890 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553646214 /nfs/dbraw/zinc/64/62/14/553646214.db2.gz SVZMJODBZXRJNG-JOCHJYFZSA-N 0 0 527.581 2.811 50 0 KFAARN Cc1c2c(=O)n(-c3ccccc3)nc-2c2c(n1CCN1CCOCC1)OC(=O)C[C@@H]2C(=O)Nc1ccccc1 ZINC000019944021 553646064 /nfs/dbraw/zinc/64/60/64/553646064.db2.gz SVZMJODBZXRJNG-QFIPXVFZSA-N 0 0 527.581 2.811 50 0 KFAARN O=C(Cn1nnc2ccccc21)N(CCN1CCOCC1)[C@@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000019973422 553652463 /nfs/dbraw/zinc/65/24/63/553652463.db2.gz UJRHOMIZTGQJAK-MUUNZHRXSA-N 0 0 530.604 2.789 50 0 KFAARN O=C(Cn1nnc2ccccc21)N(CCN1CCOCC1)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000019973423 553652629 /nfs/dbraw/zinc/65/26/29/553652629.db2.gz UJRHOMIZTGQJAK-NDEPHWFRSA-N 0 0 530.604 2.789 50 0 KFAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CS1)sc1c3nnnc1NCCN1CCOCC1 ZINC000020029527 553664108 /nfs/dbraw/zinc/66/41/08/553664108.db2.gz CUSWZTBJVHWOLT-UHFFFAOYSA-N 0 0 501.682 2.783 50 0 KFAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1SCC(=O)N1CCOCC1 ZINC000020029576 553664153 /nfs/dbraw/zinc/66/41/53/553664153.db2.gz DANRQBOTXVBIPZ-UHFFFAOYSA-N 0 0 515.661 2.878 50 0 KFAARN COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)cc1 ZINC000020069993 553676111 /nfs/dbraw/zinc/67/61/11/553676111.db2.gz JVQMMYPRFNUJNW-XMMPIXPASA-N 0 0 516.476 2.972 50 0 KFAARN COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)cc1 ZINC000020069995 553676077 /nfs/dbraw/zinc/67/60/77/553676077.db2.gz JVQMMYPRFNUJNW-DEOSSOPVSA-N 0 0 516.476 2.972 50 0 KFAARN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020103534 553687861 /nfs/dbraw/zinc/68/78/61/553687861.db2.gz PTBVBTUMMOJBEV-UHFFFAOYSA-N 0 0 514.051 2.845 50 0 KFAARN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCCCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020103649 553687896 /nfs/dbraw/zinc/68/78/96/553687896.db2.gz NXKOTYJRQWWPKK-UHFFFAOYSA-N 0 0 507.660 2.578 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000020111204 553693705 /nfs/dbraw/zinc/69/37/05/553693705.db2.gz OSPXGYHIVDMYAG-QFIPXVFZSA-N 0 0 511.619 2.997 50 0 biogenic KFAARN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3cccs3)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000020111288 553693770 /nfs/dbraw/zinc/69/37/70/553693770.db2.gz RQCUDQDTJPDZIU-GGJMMHKRSA-N 0 0 516.623 2.837 50 0 biogenic KFAARN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3cccs3)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000020111290 553693794 /nfs/dbraw/zinc/69/37/94/553693794.db2.gz RQCUDQDTJPDZIU-PHVLTXCSSA-N 0 0 516.623 2.837 50 0 biogenic KFAARN O=C(NCCN1CCOCC1)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000020112421 553694257 /nfs/dbraw/zinc/69/42/57/553694257.db2.gz RSNSZHZHSLJGAG-NRFANRHFSA-N 0 0 509.788 2.748 50 0 KFAARN O=C(NCCN1CCOCC1)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000020112423 553694609 /nfs/dbraw/zinc/69/46/09/553694609.db2.gz RSNSZHZHSLJGAG-OAQYLSRUSA-N 0 0 509.788 2.748 50 0 KFAARN CCOC(=O)N1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020112963 553695010 /nfs/dbraw/zinc/69/50/10/553695010.db2.gz WKOCKVXRAMKHSM-BJKOFHAPSA-N 0 0 511.575 2.924 50 0 KFAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020112965 553695111 /nfs/dbraw/zinc/69/51/11/553695111.db2.gz WKOCKVXRAMKHSM-DNQXCXABSA-N 0 0 511.575 2.924 50 0 KFAARN CCOC(=O)N1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020112967 553695187 /nfs/dbraw/zinc/69/51/87/553695187.db2.gz WKOCKVXRAMKHSM-ZEQRLZLVSA-N 0 0 511.575 2.924 50 0 KFAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020112970 553695114 /nfs/dbraw/zinc/69/51/14/553695114.db2.gz WKOCKVXRAMKHSM-RPWUZVMVSA-N 0 0 511.575 2.924 50 0 KFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000020114801 553695735 /nfs/dbraw/zinc/69/57/35/553695735.db2.gz UXWOJCHCFGHHDO-HXUWFJFHSA-N 0 0 517.007 2.984 50 0 KFAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000020114803 553695769 /nfs/dbraw/zinc/69/57/69/553695769.db2.gz UXWOJCHCFGHHDO-FQEVSTJZSA-N 0 0 517.007 2.984 50 0 KFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000020114809 553695716 /nfs/dbraw/zinc/69/57/16/553695716.db2.gz KIAXSYCDVWHHSA-JOCHJYFZSA-N 0 0 526.615 2.729 50 0 KFAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000020114811 553695709 /nfs/dbraw/zinc/69/57/09/553695709.db2.gz KIAXSYCDVWHHSA-QFIPXVFZSA-N 0 0 526.615 2.729 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCNC(C)=O)cc1 ZINC000020114849 553695742 /nfs/dbraw/zinc/69/57/42/553695742.db2.gz VHASMKTYYVIMIM-QFIPXVFZSA-N 0 0 526.615 2.729 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCNC(C)=O)cc1 ZINC000020114851 553695737 /nfs/dbraw/zinc/69/57/37/553695737.db2.gz VHASMKTYYVIMIM-JOCHJYFZSA-N 0 0 526.615 2.729 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCNC(C)=O)cc1 ZINC000020114894 553695998 /nfs/dbraw/zinc/69/59/98/553695998.db2.gz JEBWNPLUCZNRLS-FQEVSTJZSA-N 0 0 517.007 2.984 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCNC(C)=O)cc1 ZINC000020114896 553695975 /nfs/dbraw/zinc/69/59/75/553695975.db2.gz JEBWNPLUCZNRLS-HXUWFJFHSA-N 0 0 517.007 2.984 50 0 KFAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCNC(C)=O)cc1 ZINC000020114898 553696038 /nfs/dbraw/zinc/69/60/38/553696038.db2.gz MFWYSFLFGHNXQT-IBGZPJMESA-N 0 0 504.996 2.824 50 0 KFAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCNC(C)=O)cc1 ZINC000020114900 553695992 /nfs/dbraw/zinc/69/59/92/553695992.db2.gz MFWYSFLFGHNXQT-LJQANCHMSA-N 0 0 504.996 2.824 50 0 KFAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000020115016 553696289 /nfs/dbraw/zinc/69/62/89/553696289.db2.gz QZFZFEXMOZLJIY-LJQANCHMSA-N 0 0 519.421 2.925 50 0 KFAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000020115018 553696283 /nfs/dbraw/zinc/69/62/83/553696283.db2.gz QZFZFEXMOZLJIY-IBGZPJMESA-N 0 0 519.421 2.925 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCNC(C)=O)cc1 ZINC000020115032 553696379 /nfs/dbraw/zinc/69/63/79/553696379.db2.gz OZTWYDHLGZCOGU-FQEVSTJZSA-N 0 0 517.007 2.984 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCNC(C)=O)cc1 ZINC000020115034 553696362 /nfs/dbraw/zinc/69/63/62/553696362.db2.gz OZTWYDHLGZCOGU-HXUWFJFHSA-N 0 0 517.007 2.984 50 0 KFAARN Cc1sc2ncn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000020116930 553697670 /nfs/dbraw/zinc/69/76/70/553697670.db2.gz CZYRSKNGKQDEIA-KBPBESRZSA-N 0 0 518.617 2.800 50 0 KFAARN O=C(c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020117005 553697617 /nfs/dbraw/zinc/69/76/17/553697617.db2.gz QXANYMMYHCOMSB-UHFFFAOYSA-N 0 0 512.566 2.619 50 0 KFAARN COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3)c(=O)c2cc1OC ZINC000020117048 553697634 /nfs/dbraw/zinc/69/76/34/553697634.db2.gz SRVHXEDSRPRVTM-UHFFFAOYSA-N 0 0 514.582 2.713 50 0 KFAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)cc1)c(=O)n(CCC(=O)NC1CCCC1)c2=O ZINC000020117069 553697991 /nfs/dbraw/zinc/69/79/91/553697991.db2.gz TVYRNGCFKDHPOU-UHFFFAOYSA-N 0 0 508.575 2.576 50 0 KFAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1C)c(=O)n(CCC(=O)NC1CCCC1)c2=O ZINC000020117071 553697981 /nfs/dbraw/zinc/69/79/81/553697981.db2.gz ABASOHPWUKPITO-UHFFFAOYSA-N 0 0 508.575 2.576 50 0 KFAARN COc1cccc(C(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(CCC(=O)NC3CCCC3)c2=O)c1 ZINC000020117073 553697993 /nfs/dbraw/zinc/69/79/93/553697993.db2.gz HNISIGVMCQXSTD-UHFFFAOYSA-N 0 0 509.559 2.521 50 0 KFAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)c(F)c1)c(=O)n(CCC(=O)NC1CCCC1)c2=O ZINC000020117090 553697973 /nfs/dbraw/zinc/69/79/73/553697973.db2.gz FOUHGOQSUZLCOS-UHFFFAOYSA-N 0 0 526.565 2.716 50 0 KFAARN COc1cc2c(cc1OC)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n(CCC(=O)NC1CCCC1)c2=O ZINC000020117095 553697977 /nfs/dbraw/zinc/69/79/77/553697977.db2.gz YYHAOCOAMUTBRG-UHFFFAOYSA-N 0 0 528.993 2.921 50 0 KFAARN COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1 ZINC000020131208 553591655 /nfs/dbraw/zinc/59/16/55/553591655.db2.gz IVPWZOFVGULHKC-UHFFFAOYSA-N 0 0 517.567 2.708 50 0 KFAARN COc1ccc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)c(OC)c1OC ZINC000020137150 553593874 /nfs/dbraw/zinc/59/38/74/553593874.db2.gz FSDHIUXPGFGKEC-UHFFFAOYSA-N 0 0 523.677 2.519 50 0 KFAARN CCN(Cc1ccccc1)C(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccccc2)c1=O ZINC000020139103 553594380 /nfs/dbraw/zinc/59/43/80/553594380.db2.gz UWUBUSHBTLTJQT-UHFFFAOYSA-N 0 0 504.612 2.980 50 0 KFAARN CCOc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccccc2)c1=O ZINC000020139116 553594315 /nfs/dbraw/zinc/59/43/15/553594315.db2.gz YTKYXRWFMDASFV-UHFFFAOYSA-N 0 0 506.584 2.969 50 0 KFAARN O=C(CCn1c(=O)c2sccc2n(CC(=O)c2ccc(F)cc2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000020151419 553595743 /nfs/dbraw/zinc/59/57/43/553595743.db2.gz YOQKAGROOJKATF-UHFFFAOYSA-N 0 0 509.515 2.682 50 0 KFAARN CCCN(CCC)C(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccc(OC)cc2)c1=O ZINC000020151546 553595772 /nfs/dbraw/zinc/59/57/72/553595772.db2.gz HKGCHFWKMROLAY-UHFFFAOYSA-N 0 0 500.621 2.588 50 0 KFAARN COc1ccc(CNC(=O)CCn2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)cc1 ZINC000020151559 553595732 /nfs/dbraw/zinc/59/57/32/553595732.db2.gz PFCIBOMREAFRRC-UHFFFAOYSA-N 0 0 512.632 2.731 50 0 KFAARN O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O)NCc1ccco1 ZINC000020151567 553595810 /nfs/dbraw/zinc/59/58/10/553595810.db2.gz PJAGTTOPEWXACW-UHFFFAOYSA-N 0 0 506.462 2.792 50 0 KFAARN COc1ccc(NC(=O)Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1Cl ZINC000020152733 553596577 /nfs/dbraw/zinc/59/65/77/553596577.db2.gz VZVNZMGHCGCPIE-UHFFFAOYSA-N 0 0 510.934 2.763 50 0 KFAARN COc1ccccc1CNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2F)c1=O ZINC000020152786 553596592 /nfs/dbraw/zinc/59/65/92/553596592.db2.gz GDOQBBGPGOQQRK-UHFFFAOYSA-N 0 0 504.518 2.656 50 0 KFAARN O=C(Cn1c(=O)n(CCC(=O)N2CC=C(c3ccccc3)CC2)c(=O)c2ccccc21)NCc1ccco1 ZINC000020152810 553596782 /nfs/dbraw/zinc/59/67/82/553596782.db2.gz HZPWECQWGOHELL-UHFFFAOYSA-N 0 0 512.566 2.779 50 0 KFAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2ccccc21 ZINC000020152878 553596848 /nfs/dbraw/zinc/59/68/48/553596848.db2.gz MZEGJIMVUUXAKJ-UHFFFAOYSA-N 0 0 510.934 2.763 50 0 KFAARN COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)N3CCc4ccccc4C3)c2=O)c1 ZINC000020152925 553596777 /nfs/dbraw/zinc/59/67/77/553596777.db2.gz MWOPHZJEJXNTMK-UHFFFAOYSA-N 0 0 512.566 2.786 50 0 KFAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)c2ccc(F)cc2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000020152956 553597267 /nfs/dbraw/zinc/59/72/67/553597267.db2.gz YFMRSAQAFIYMLN-UHFFFAOYSA-N 0 0 503.486 2.620 50 0 KFAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCCc1ccccc1 ZINC000020153084 553597226 /nfs/dbraw/zinc/59/72/26/553597226.db2.gz OLGNCGVJQQOBGP-UHFFFAOYSA-N 0 0 502.615 2.919 50 0 KFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000020153093 553597194 /nfs/dbraw/zinc/59/71/94/553597194.db2.gz IIUZOJQFVDRITJ-UHFFFAOYSA-N 0 0 500.555 2.560 50 0 KFAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O)NCCc1ccccc1 ZINC000020153099 553597264 /nfs/dbraw/zinc/59/72/64/553597264.db2.gz OALCOAFKHKDEKZ-UHFFFAOYSA-N 0 0 506.509 2.829 50 0 KFAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c(=O)n(CC(=O)NCc2ccco2)c(=O)c2ccccc21 ZINC000020153116 553597448 /nfs/dbraw/zinc/59/74/48/553597448.db2.gz ARBATOQOQFNXGH-UHFFFAOYSA-N 0 0 510.934 2.682 50 0 KFAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(-c1ccc(C)cc1)c2=O ZINC000020153169 553597398 /nfs/dbraw/zinc/59/73/98/553597398.db2.gz RDPFDDSKPIUQEM-UHFFFAOYSA-N 0 0 503.511 2.888 50 0 KFAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000020153262 553597744 /nfs/dbraw/zinc/59/77/44/553597744.db2.gz CVGZAKFPMHPYAC-UHFFFAOYSA-N 0 0 500.555 2.560 50 0 KFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCS(=O)(=O)C3CCCCC3)c2=O)cc1 ZINC000020153316 553598061 /nfs/dbraw/zinc/59/80/61/553598061.db2.gz KJBGRHLIKVBQOI-UHFFFAOYSA-N 0 0 513.616 2.948 50 0 KFAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c3ccccc32)CC1 ZINC000020153483 553598244 /nfs/dbraw/zinc/59/82/44/553598244.db2.gz VHMAAUQOVQZMLZ-UHFFFAOYSA-N 0 0 522.671 2.767 50 0 KFAARN CCOC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21 ZINC000020182484 553604905 /nfs/dbraw/zinc/60/49/05/553604905.db2.gz IFMGGMMEVDPBIN-NRFANRHFSA-N 0 0 505.600 2.680 50 0 KFAARN CCOC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21 ZINC000020182486 553604871 /nfs/dbraw/zinc/60/48/71/553604871.db2.gz IFMGGMMEVDPBIN-OAQYLSRUSA-N 0 0 505.600 2.680 50 0 KFAARN CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000020193966 553606266 /nfs/dbraw/zinc/60/62/66/553606266.db2.gz LJCMXWNAGKBSCA-UHFFFAOYSA-N 0 0 507.569 2.863 50 0 KFAARN O=C(C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020211521 553610901 /nfs/dbraw/zinc/61/09/01/553610901.db2.gz UBNMLNBRRMDQJY-UHFFFAOYSA-N 0 0 522.627 2.709 50 0 KFAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000020214489 553612870 /nfs/dbraw/zinc/61/28/70/553612870.db2.gz IXHZKIPOJSAOTH-CYBMUJFWSA-N 0 0 502.460 2.930 50 0 KFAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000020214492 553612876 /nfs/dbraw/zinc/61/28/76/553612876.db2.gz IXHZKIPOJSAOTH-ZDUSSCGKSA-N 0 0 502.460 2.930 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(c3ccc(Cl)nn3)CC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214716 553613229 /nfs/dbraw/zinc/61/32/29/553613229.db2.gz MCHTXRJAHSNWNB-HSZRJFAPSA-N 0 0 515.014 2.911 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(c3ccc(Cl)nn3)CC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214719 553613295 /nfs/dbraw/zinc/61/32/95/553613295.db2.gz MCHTXRJAHSNWNB-QHCPKHFHSA-N 0 0 515.014 2.911 50 0 KFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3ccc4c(c3)OCO4)ccc21 ZINC000020232282 553618065 /nfs/dbraw/zinc/61/80/65/553618065.db2.gz VARHENOBGPJMMS-QHCPKHFHSA-N 0 0 521.595 2.530 50 0 KFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCc3ccc4c(c3)OCO4)ccc21 ZINC000020232289 553618270 /nfs/dbraw/zinc/61/82/70/553618270.db2.gz VARHENOBGPJMMS-HSZRJFAPSA-N 0 0 521.595 2.530 50 0 KFAARN COc1ccc(CCNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OC ZINC000020232598 553618497 /nfs/dbraw/zinc/61/84/97/553618497.db2.gz LBHGAFUHTMGOLK-JOCHJYFZSA-N 0 0 517.648 2.665 50 0 KFAARN COc1ccc(CCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OC ZINC000020232602 553618587 /nfs/dbraw/zinc/61/85/87/553618587.db2.gz LBHGAFUHTMGOLK-QFIPXVFZSA-N 0 0 517.648 2.665 50 0 KFAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc21 ZINC000020233103 553618823 /nfs/dbraw/zinc/61/88/23/553618823.db2.gz WCLAPOABMXJFHQ-UHFFFAOYSA-N 0 0 505.040 2.575 50 0 KFAARN COc1ccccc1N1CCN(C(=O)CCc2[nH]c3c4cc(OC)c(OC)cc4nc(=S)n3c2O)CC1 ZINC000020234125 553619891 /nfs/dbraw/zinc/61/98/91/553619891.db2.gz WVKCNIBWCWSYMR-QGZVFWFLSA-N 0 0 523.615 2.509 50 0 KFAARN COc1ccccc1N1CCN(C(=O)CCc2[nH]c3c4cc(OC)c(OC)cc4nc(=S)n3c2O)CC1 ZINC000020234131 553619997 /nfs/dbraw/zinc/61/99/97/553619997.db2.gz WVKCNIBWCWSYMR-KRWDZBQOSA-N 0 0 523.615 2.509 50 0 KFAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CCN(c5ccccc5F)CC4)[nH]c3c2cc1OC ZINC000020234160 553619911 /nfs/dbraw/zinc/61/99/11/553619911.db2.gz MTMCFWQCPHHCJB-QGZVFWFLSA-N 0 0 511.579 2.640 50 0 KFAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CCN(c5ccccc5F)CC4)[nH]c3c2cc1OC ZINC000020234163 553620081 /nfs/dbraw/zinc/62/00/81/553620081.db2.gz MTMCFWQCPHHCJB-KRWDZBQOSA-N 0 0 511.579 2.640 50 0 KFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000020234616 553620892 /nfs/dbraw/zinc/62/08/92/553620892.db2.gz AONFELCVXSDSNH-UHFFFAOYSA-N 0 0 505.040 2.656 50 0 KFAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc21 ZINC000020234626 553620913 /nfs/dbraw/zinc/62/09/13/553620913.db2.gz SFQVPQCQAYCZAU-UHFFFAOYSA-N 0 0 519.067 2.965 50 0 KFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020234782 553620814 /nfs/dbraw/zinc/62/08/14/553620814.db2.gz HNCCSJPZMHCQAI-UHFFFAOYSA-N 0 0 510.538 2.607 50 0 KFAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N1CCN(Cc2ccccc2)CC1 ZINC000020235504 553622095 /nfs/dbraw/zinc/62/20/95/553622095.db2.gz OYPHDQIKKQXRGM-HSZRJFAPSA-N 0 0 521.668 2.925 50 0 KFAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N1CCN(Cc2ccccc2)CC1 ZINC000020235508 553622083 /nfs/dbraw/zinc/62/20/83/553622083.db2.gz OYPHDQIKKQXRGM-QHCPKHFHSA-N 0 0 521.668 2.925 50 0 KFAARN CCOC(=O)Cn1c2cc(C(=O)NC3CCCCC3)ccc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O ZINC000020237161 553623795 /nfs/dbraw/zinc/62/37/95/553623795.db2.gz RNHLGUJWPSFRFZ-UHFFFAOYSA-N 0 0 507.543 2.566 50 0 KFAARN COc1ccc(-n2nc(C(=O)NCCCN3CCOCC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000020238405 553624337 /nfs/dbraw/zinc/62/43/37/553624337.db2.gz OECOKNKLHBZBQY-UHFFFAOYSA-N 0 0 509.994 2.992 50 0 KFAARN CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C\c3ccc(OC)cc3)CC2)CC1 ZINC000020239414 553625208 /nfs/dbraw/zinc/62/52/08/553625208.db2.gz CXTZTSCODUTCQT-YFHOEESVSA-N 0 0 502.637 2.727 50 0 KFAARN CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3cccs3)CC2)CC1 ZINC000020239447 553625340 /nfs/dbraw/zinc/62/53/40/553625340.db2.gz UNDLPNLVCTXRGU-VOTSOKGWSA-N 0 0 522.649 2.916 50 0 KFAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)NCCCN2CCCC2=O)CC1 ZINC000020239467 553625329 /nfs/dbraw/zinc/62/53/29/553625329.db2.gz WVMLDPMALDGLFG-BQYQJAHWSA-N 0 0 506.650 2.744 50 0 KFAARN COc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000020239884 553626119 /nfs/dbraw/zinc/62/61/19/553626119.db2.gz BUCLYEGTTYVIMP-UHFFFAOYSA-N 0 0 511.648 2.585 50 0 KFAARN COc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000020239954 553626197 /nfs/dbraw/zinc/62/61/97/553626197.db2.gz LBCRJZIDTNDYGV-UHFFFAOYSA-N 0 0 515.611 2.729 50 0 KFAARN Cn1c2ccc(S(=O)(=O)N3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)cc2oc1=O ZINC000020240193 553626152 /nfs/dbraw/zinc/62/61/52/553626152.db2.gz LNHDQUWISBUOEW-QFIPXVFZSA-N 0 0 503.536 2.716 50 0 KFAARN Cn1c2ccc(S(=O)(=O)N3CCc4ccccc4[C@H]3CN3C(=O)c4ccccc4C3=O)cc2oc1=O ZINC000020240196 553626223 /nfs/dbraw/zinc/62/62/23/553626223.db2.gz LNHDQUWISBUOEW-JOCHJYFZSA-N 0 0 503.536 2.716 50 0 KFAARN Cn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000020240276 553626466 /nfs/dbraw/zinc/62/64/66/553626466.db2.gz HQWTVZBEUJXLGR-UHFFFAOYSA-N 0 0 509.628 2.654 50 0 KFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N2CCN(Cc4ccccc4)CC2)cn3C)CC1 ZINC000020240320 553626483 /nfs/dbraw/zinc/62/64/83/553626483.db2.gz ZVLNRSMIUYQRJI-UHFFFAOYSA-N 0 0 522.671 2.917 50 0 KFAARN CCn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000020240352 553626473 /nfs/dbraw/zinc/62/64/73/553626473.db2.gz HVMQDJIKFFVYFJ-UHFFFAOYSA-N 0 0 508.644 2.764 50 0 KFAARN CCn1cc(C(=O)N2CCN(CC)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000020240464 553626445 /nfs/dbraw/zinc/62/64/45/553626445.db2.gz HLTRUMCTQJAVDW-UHFFFAOYSA-N 0 0 508.644 2.546 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283614 553631626 /nfs/dbraw/zinc/63/16/26/553631626.db2.gz HCHRXPYVJBAWHD-XMMPIXPASA-N 0 0 510.591 2.706 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020283616 553631680 /nfs/dbraw/zinc/63/16/80/553631680.db2.gz HCHRXPYVJBAWHD-DEOSSOPVSA-N 0 0 510.591 2.706 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3OC)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283845 553631861 /nfs/dbraw/zinc/63/18/61/553631861.db2.gz GKFRCIMSDUQHEC-XMMPIXPASA-N 0 0 510.591 2.706 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3OC)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020283848 553631900 /nfs/dbraw/zinc/63/19/00/553631900.db2.gz GKFRCIMSDUQHEC-DEOSSOPVSA-N 0 0 510.591 2.706 50 0 KFAARN CCOC(=O)C[C@@H](NC(=O)CCc1c(C)nc2c(c1C)c(=O)n(C)c(=O)n2C)c1ccc(OC(C)C)cc1 ZINC000020283890 553631957 /nfs/dbraw/zinc/63/19/57/553631957.db2.gz ATXWPPFTVZSFJX-JOCHJYFZSA-N 0 0 524.618 2.780 50 0 KFAARN CCOC(=O)C[C@H](NC(=O)CCc1c(C)nc2c(c1C)c(=O)n(C)c(=O)n2C)c1ccc(OC(C)C)cc1 ZINC000020283894 553631956 /nfs/dbraw/zinc/63/19/56/553631956.db2.gz ATXWPPFTVZSFJX-QFIPXVFZSA-N 0 0 524.618 2.780 50 0 KFAARN CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000020284293 553631960 /nfs/dbraw/zinc/63/19/60/553631960.db2.gz AHDMAAYXNOBQAI-HXUWFJFHSA-N 0 0 521.039 2.827 50 0 KFAARN CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000020284297 553631885 /nfs/dbraw/zinc/63/18/85/553631885.db2.gz AHDMAAYXNOBQAI-FQEVSTJZSA-N 0 0 521.039 2.827 50 0 KFAARN CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020284361 553631898 /nfs/dbraw/zinc/63/18/98/553631898.db2.gz WEXPXDRTZGIVEH-HXUWFJFHSA-N 0 0 521.039 2.827 50 0 KFAARN CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020284365 553631881 /nfs/dbraw/zinc/63/18/81/553631881.db2.gz WEXPXDRTZGIVEH-FQEVSTJZSA-N 0 0 521.039 2.827 50 0 KFAARN Cc1cccc(N2CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1C ZINC000020284369 553631889 /nfs/dbraw/zinc/63/18/89/553631889.db2.gz FAIQBPQPMUWCHI-OAQYLSRUSA-N 0 0 514.648 2.790 50 0 KFAARN Cc1cccc(N2CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1C ZINC000020284372 553631877 /nfs/dbraw/zinc/63/18/77/553631877.db2.gz FAIQBPQPMUWCHI-NRFANRHFSA-N 0 0 514.648 2.790 50 0 KFAARN COc1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc(OC)c1 ZINC000020284605 553631942 /nfs/dbraw/zinc/63/19/42/553631942.db2.gz BWTDACJKCFZMPO-OAQYLSRUSA-N 0 0 511.556 2.677 50 0 KFAARN COc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc(OC)c1 ZINC000020284608 553632142 /nfs/dbraw/zinc/63/21/42/553632142.db2.gz BWTDACJKCFZMPO-NRFANRHFSA-N 0 0 511.556 2.677 50 0 KFAARN Cc1cc(C)n(-c2nnc(OCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c3ccccc32)n1 ZINC000020285803 553632232 /nfs/dbraw/zinc/63/22/32/553632232.db2.gz PAYPHEWURPAIQB-UHFFFAOYSA-N 0 0 520.615 2.653 50 0 KFAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCn2c3ccccc3nc21 ZINC000020286431 553632191 /nfs/dbraw/zinc/63/21/91/553632191.db2.gz DVRPWMDQNRNMPN-QHCPKHFHSA-N 0 0 515.595 2.857 50 0 KFAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCn2c3ccccc3nc21 ZINC000020286434 553632196 /nfs/dbraw/zinc/63/21/96/553632196.db2.gz DVRPWMDQNRNMPN-HSZRJFAPSA-N 0 0 515.595 2.857 50 0 KFAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCN(c2ccccc2)CC1 ZINC000020286448 553632237 /nfs/dbraw/zinc/63/22/37/553632237.db2.gz ANEMIINXTIDEFR-SANMLTNESA-N 0 0 518.639 2.810 50 0 KFAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCN(c2ccccc2)CC1 ZINC000020286451 553632188 /nfs/dbraw/zinc/63/21/88/553632188.db2.gz ANEMIINXTIDEFR-AREMUKBSSA-N 0 0 518.639 2.810 50 0 KFAARN Cn1c2ccc(S(=O)(=O)N[C@H](C(=O)Nc3ccc(Cl)cc3)c3ccccc3)cc2c(=O)n(C)c1=O ZINC000020286556 553632440 /nfs/dbraw/zinc/63/24/40/553632440.db2.gz RINJEYWRRXWCKZ-NRFANRHFSA-N 0 0 512.975 2.549 50 0 KFAARN Cc1ccc(C)c(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c1 ZINC000020286578 553632401 /nfs/dbraw/zinc/63/24/01/553632401.db2.gz LNXCZPXZJGQCFL-QHCPKHFHSA-N 0 0 506.584 2.512 50 0 KFAARN Cc1ccc(C)c(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c1 ZINC000020286581 553632388 /nfs/dbraw/zinc/63/23/88/553632388.db2.gz LNXCZPXZJGQCFL-HSZRJFAPSA-N 0 0 506.584 2.512 50 0 KFAARN Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c(C)c1 ZINC000020286585 553632477 /nfs/dbraw/zinc/63/24/77/553632477.db2.gz YAQQHJODZGIKMG-QHCPKHFHSA-N 0 0 506.584 2.512 50 0 KFAARN Cc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c(C)c1 ZINC000020286588 553632455 /nfs/dbraw/zinc/63/24/55/553632455.db2.gz YAQQHJODZGIKMG-HSZRJFAPSA-N 0 0 506.584 2.512 50 0 KFAARN Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1C ZINC000020286597 553632473 /nfs/dbraw/zinc/63/24/73/553632473.db2.gz WEUCLALRJXEWLY-QHCPKHFHSA-N 0 0 506.584 2.512 50 0 KFAARN Cc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1C ZINC000020286600 553632393 /nfs/dbraw/zinc/63/23/93/553632393.db2.gz WEUCLALRJXEWLY-HSZRJFAPSA-N 0 0 506.584 2.512 50 0 KFAARN Cc1cc(C)cc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c1 ZINC000020286607 553632480 /nfs/dbraw/zinc/63/24/80/553632480.db2.gz JBFTUFIMUHBPGJ-HSZRJFAPSA-N 0 0 506.584 2.512 50 0 KFAARN CCc1cccc(C)c1NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000020286610 553632725 /nfs/dbraw/zinc/63/27/25/553632725.db2.gz XXKGNGDROZBHEQ-DEOSSOPVSA-N 0 0 520.611 2.766 50 0 KFAARN CCc1cccc(C)c1NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000020286612 553632782 /nfs/dbraw/zinc/63/27/82/553632782.db2.gz XXKGNGDROZBHEQ-XMMPIXPASA-N 0 0 520.611 2.766 50 0 KFAARN CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 ZINC000020287027 553632722 /nfs/dbraw/zinc/63/27/22/553632722.db2.gz NBQJGQMLRWCNSX-UHFFFAOYSA-N 0 0 513.494 2.687 50 0 KFAARN O=C(Nc1ccc(I)cc1C(=O)N1CCN(CCO)CC1)c1ccccc1Cl ZINC000020294405 553635637 /nfs/dbraw/zinc/63/56/37/553635637.db2.gz FVJCBBJHBIOUEV-UHFFFAOYSA-N 0 0 513.763 2.947 50 0 KFAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1 ZINC000020295052 553635704 /nfs/dbraw/zinc/63/57/04/553635704.db2.gz XZMRCVZKMVTPOG-LBPRGKRZSA-N 0 0 505.578 2.703 50 0 KFAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1 ZINC000020295056 553636097 /nfs/dbraw/zinc/63/60/97/553636097.db2.gz XZMRCVZKMVTPOG-GFCCVEGCSA-N 0 0 505.578 2.703 50 0 KFAARN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000020325498 553638825 /nfs/dbraw/zinc/63/88/25/553638825.db2.gz SIYMNPAJWJOGCU-UHFFFAOYSA-N 0 0 507.612 2.998 50 0 KFAARN COc1ccc2nc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)sc2c1 ZINC000020326630 553638804 /nfs/dbraw/zinc/63/88/04/553638804.db2.gz LUECBTLUYNYGMO-CYBMUJFWSA-N 0 0 502.574 2.789 50 0 KFAARN COc1ccc2nc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)sc2c1 ZINC000020326636 553638808 /nfs/dbraw/zinc/63/88/08/553638808.db2.gz LUECBTLUYNYGMO-ZDUSSCGKSA-N 0 0 502.574 2.789 50 0 KFAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1Cl ZINC000020326688 553638862 /nfs/dbraw/zinc/63/88/62/553638862.db2.gz KWUMMIWXSDPCCX-CYBMUJFWSA-N 0 0 509.968 2.842 50 0 KFAARN COc1cc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1Cl ZINC000020326695 553638834 /nfs/dbraw/zinc/63/88/34/553638834.db2.gz KWUMMIWXSDPCCX-ZDUSSCGKSA-N 0 0 509.968 2.842 50 0 KFAARN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)C[C@H]2C)cc1 ZINC000020327249 553639162 /nfs/dbraw/zinc/63/91/62/553639162.db2.gz LISNUIKCBFVNMN-WOJBJXKFSA-N 0 0 512.632 2.578 50 0 KFAARN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)C[C@@H]2C)cc1 ZINC000020327255 553639096 /nfs/dbraw/zinc/63/90/96/553639096.db2.gz LISNUIKCBFVNMN-VQTJNVASSA-N 0 0 512.632 2.578 50 0 KFAARN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)C[C@H]2C)cc1 ZINC000020327261 553639117 /nfs/dbraw/zinc/63/91/17/553639117.db2.gz LISNUIKCBFVNMN-UXHICEINSA-N 0 0 512.632 2.578 50 0 KFAARN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)C[C@@H]2C)cc1 ZINC000020327266 553639039 /nfs/dbraw/zinc/63/90/39/553639039.db2.gz LISNUIKCBFVNMN-PMACEKPBSA-N 0 0 512.632 2.578 50 0 KFAARN COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)sc2c1 ZINC000020327641 553639032 /nfs/dbraw/zinc/63/90/32/553639032.db2.gz QRJFOBHLYNEKRQ-UHFFFAOYSA-N 0 0 502.574 2.789 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3coc4ccccc4c3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000020332176 553639833 /nfs/dbraw/zinc/63/98/33/553639833.db2.gz WTLOEEUORIADFV-QCHPHUCNSA-N 0 0 502.548 2.913 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3coc4ccccc4c3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000020332181 553639844 /nfs/dbraw/zinc/63/98/44/553639844.db2.gz WTLOEEUORIADFV-VZIOXZNFSA-N 0 0 502.548 2.913 50 0 KFAARN CCOC(=O)c1cnn(CCOC(=O)COc2ccccc2OC)c1NC(=O)COc1ccccc1OC ZINC000020354897 553640511 /nfs/dbraw/zinc/64/05/11/553640511.db2.gz KPOBPKWVXQAVGX-UHFFFAOYSA-N 0 0 527.530 2.717 50 0 KFAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3CC(=O)N(CC)CC)C1 ZINC000020354985 553640487 /nfs/dbraw/zinc/64/04/87/553640487.db2.gz ORVBEMGPTJUXOL-UHFFFAOYSA-N 0 0 502.568 2.736 50 0 KFAARN CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(N2CCN(CCO)CC2)n1 ZINC000020358402 553642975 /nfs/dbraw/zinc/64/29/75/553642975.db2.gz QRUWNBOTCXJTPZ-UHFFFAOYSA-N 0 0 530.720 2.764 50 0 KFAARN Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3C)C2)C1 ZINC000020389194 553644690 /nfs/dbraw/zinc/64/46/90/553644690.db2.gz WCORBWJTRWHZJR-CLJLJLNGSA-N 0 0 526.703 2.905 50 0 KFAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc1OC ZINC000020411731 553646886 /nfs/dbraw/zinc/64/68/86/553646886.db2.gz BYJOPWCQKZHZTA-FIPFOOKPSA-N 0 0 518.614 2.592 50 0 biogenic KFAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N23)cc1OC ZINC000020411735 553646803 /nfs/dbraw/zinc/64/68/03/553646803.db2.gz BYJOPWCQKZHZTA-NEKDWFFYSA-N 0 0 518.614 2.592 50 0 biogenic KFAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)c1OC ZINC000020411846 553646882 /nfs/dbraw/zinc/64/68/82/553646882.db2.gz PPQWQVTVDLSHNN-HOFKKMOUSA-N 0 0 518.614 2.592 50 0 biogenic KFAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N23)c1OC ZINC000020411849 553646817 /nfs/dbraw/zinc/64/68/17/553646817.db2.gz PPQWQVTVDLSHNN-WNCULLNHSA-N 0 0 518.614 2.592 50 0 biogenic KFAARN COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)c1 ZINC000020412637 553647204 /nfs/dbraw/zinc/64/72/04/553647204.db2.gz VEILCCLLNBRSFS-CUBQBAPOSA-N 0 0 518.614 2.592 50 0 biogenic KFAARN COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N23)c1 ZINC000020412640 553647174 /nfs/dbraw/zinc/64/71/74/553647174.db2.gz VEILCCLLNBRSFS-RBJSKKJNSA-N 0 0 518.614 2.592 50 0 biogenic KFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCCCN2CCOCC2)C(=O)[C@]31C ZINC000020412794 553647080 /nfs/dbraw/zinc/64/70/80/553647080.db2.gz MLCAJDVOKBRZID-LJAQVGFWSA-N 0 0 531.613 2.869 50 0 biogenic KFAARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)NC[C@@H]2CCCO2)CN(C)CC4)cc1 ZINC000020436010 553648295 /nfs/dbraw/zinc/64/82/95/553648295.db2.gz CBIPUSCUCBLNNV-KRWDZBQOSA-N 0 0 500.646 2.831 50 0 KFAARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)NC[C@H]2CCCO2)CN(C)CC4)cc1 ZINC000020436015 553648377 /nfs/dbraw/zinc/64/83/77/553648377.db2.gz CBIPUSCUCBLNNV-QGZVFWFLSA-N 0 0 500.646 2.831 50 0 KFAARN COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)NCc1ccco1 ZINC000020438670 553648919 /nfs/dbraw/zinc/64/89/19/553648919.db2.gz KOZHSBFDDVOZMC-JCMHNJIXSA-N 0 0 522.583 2.985 50 0 KFAARN COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCc2ccco2)cc1 ZINC000020438697 553648910 /nfs/dbraw/zinc/64/89/10/553648910.db2.gz WTSRMSYFDRTGMF-HAHDFKILSA-N 0 0 522.583 2.985 50 0 KFAARN CCCNC(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccc(OC)c(OC)c1 ZINC000020438727 553649165 /nfs/dbraw/zinc/64/91/65/553649165.db2.gz OXVJCQYLLDRPHQ-ZHZULCJRSA-N 0 0 514.604 2.610 50 0 KFAARN COCCN(Cc1cc2ccc(OC)cc2nc1N1CCN(C(C)=O)CC1)C(=O)c1cc(C)c(C)[nH]c1=O ZINC000020450280 1059763182 /nfs/dbraw/zinc/76/31/82/1059763182.db2.gz IYULDYBWRNVSEA-UHFFFAOYSA-N 0 0 521.618 2.506 50 0 KFAARN CCOC(=O)c1sc2c(ccc(Br)c2OC[C@H](O)CN2CCOCC2)c1NC(C)=O ZINC000020458588 553654341 /nfs/dbraw/zinc/65/43/41/553654341.db2.gz RRLLRALBSLSMOM-CYBMUJFWSA-N 0 0 501.399 2.871 50 0 KFAARN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2c1nnn2Cc1ccccc1F ZINC000020463068 553656414 /nfs/dbraw/zinc/65/64/14/553656414.db2.gz LPKPUAFLMZYNMM-UHFFFAOYSA-N 0 0 502.959 2.924 50 0 KFAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCCN2CCOCC2)cc1 ZINC000020463255 553656760 /nfs/dbraw/zinc/65/67/60/553656760.db2.gz LGLXYVVBKGMEGX-UHFFFAOYSA-N 0 0 507.659 2.861 50 0 KFAARN CCOC(=O)c1c(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(OC)ccc2n1C ZINC000020502902 553667710 /nfs/dbraw/zinc/66/77/10/553667710.db2.gz KWLGDOUAZXIFAV-UHFFFAOYSA-N 0 0 508.575 2.849 50 0 KFAARN O=S(=O)(N1CCCCC1)N1CCN(C[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000020511971 553668720 /nfs/dbraw/zinc/66/87/20/553668720.db2.gz CTAAADFWKIBZAK-OAQYLSRUSA-N 0 0 512.470 2.690 50 0 KFAARN O=S(=O)(N1CCCCC1)N1CCN(C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000020511974 553668794 /nfs/dbraw/zinc/66/87/94/553668794.db2.gz CTAAADFWKIBZAK-NRFANRHFSA-N 0 0 512.470 2.690 50 0 KFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCn5c6ccccc6nc54)CC3)cc2C[C@H]1C ZINC000020532873 553670331 /nfs/dbraw/zinc/67/03/31/553670331.db2.gz SPKOLLBPZIPIKI-QGZVFWFLSA-N 0 0 507.616 2.781 50 0 KFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCn5c6ccccc6nc54)CC3)cc2C[C@@H]1C ZINC000020532874 553670355 /nfs/dbraw/zinc/67/03/55/553670355.db2.gz SPKOLLBPZIPIKI-KRWDZBQOSA-N 0 0 507.616 2.781 50 0 KFAARN O=C([C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020557011 553671690 /nfs/dbraw/zinc/67/16/90/553671690.db2.gz GDZCUWPVMKHNEI-OAQYLSRUSA-N 0 0 517.634 2.842 50 0 KFAARN O=C([C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020557013 553671677 /nfs/dbraw/zinc/67/16/77/553671677.db2.gz GDZCUWPVMKHNEI-NRFANRHFSA-N 0 0 517.634 2.842 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559158 553671621 /nfs/dbraw/zinc/67/16/21/553671621.db2.gz SECSGCHKGSHFHM-JOCHJYFZSA-N 0 0 530.647 2.763 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559160 553671711 /nfs/dbraw/zinc/67/17/11/553671711.db2.gz SECSGCHKGSHFHM-QFIPXVFZSA-N 0 0 530.647 2.763 50 0 KFAARN CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3cccs3)CC2)no1 ZINC000020562259 553672752 /nfs/dbraw/zinc/67/27/52/553672752.db2.gz IIDVEKOTNVRSDJ-UHFFFAOYSA-N 0 0 503.650 2.619 50 0 KFAARN CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1 ZINC000020562273 553672766 /nfs/dbraw/zinc/67/27/66/553672766.db2.gz AOIICNLMUNXMOM-UHFFFAOYSA-N 0 0 518.039 2.821 50 0 KFAARN Cc1cc(S(=O)(=O)N2CCN(Cc3noc(CCC(=O)N(C)Cc4ccccc4)n3)CC2)ccc1F ZINC000020562275 553672800 /nfs/dbraw/zinc/67/28/00/553672800.db2.gz ANMIZQXJLKXNMF-UHFFFAOYSA-N 0 0 515.611 2.615 50 0 KFAARN CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)no1 ZINC000020562278 553672791 /nfs/dbraw/zinc/67/27/91/553672791.db2.gz VHQQEJGYXZERLO-UHFFFAOYSA-N 0 0 524.068 2.882 50 0 KFAARN 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525.631 2.999 50 0 KFAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccco3)C(=O)N21)C(=O)NCCCOC ZINC000020642945 553682858 /nfs/dbraw/zinc/68/28/58/553682858.db2.gz QKOVIKMAYVQOFX-NHCUHLMSSA-N 0 0 525.631 2.999 50 0 KFAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccco3)C(=O)N21)C(=O)NCCCOC ZINC000020642947 553682845 /nfs/dbraw/zinc/68/28/45/553682845.db2.gz QKOVIKMAYVQOFX-RTWAWAEBSA-N 0 0 525.631 2.999 50 0 KFAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccco3)C(=O)N21)C(=O)NCCCOC ZINC000020643027 553682875 /nfs/dbraw/zinc/68/28/75/553682875.db2.gz RUBBAQOQMGPOHD-VQTJNVASSA-N 0 0 511.604 2.609 50 0 KFAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccco3)C(=O)N21)C(=O)NCCCOC ZINC000020643029 553682830 /nfs/dbraw/zinc/68/28/30/553682830.db2.gz RUBBAQOQMGPOHD-PMACEKPBSA-N 0 0 511.604 2.609 50 0 KFAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccco3)C(=O)N21)C(=O)NCCCOC ZINC000020643031 553682915 /nfs/dbraw/zinc/68/29/15/553682915.db2.gz RUBBAQOQMGPOHD-WOJBJXKFSA-N 0 0 511.604 2.609 50 0 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CC(C)Oc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1 ZINC000021876853 553719138 /nfs/dbraw/zinc/71/91/38/553719138.db2.gz BDIQNKQIJDKZHH-HHHXNRCGSA-N 0 0 507.566 2.900 50 0 KFAARN CC(C)Oc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1 ZINC000021876856 553719093 /nfs/dbraw/zinc/71/90/93/553719093.db2.gz BDIQNKQIJDKZHH-MHZLTWQESA-N 0 0 507.566 2.900 50 0 KFAARN CCOc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1OC ZINC000021876929 553719211 /nfs/dbraw/zinc/71/92/11/553719211.db2.gz FCFLDYSYQJUCSR-HHHXNRCGSA-N 0 0 523.565 2.520 50 0 KFAARN CCOc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1OC ZINC000021876932 553719172 /nfs/dbraw/zinc/71/91/72/553719172.db2.gz FCFLDYSYQJUCSR-MHZLTWQESA-N 0 0 523.565 2.520 50 0 KFAARN CCOc1cc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)ccc1OC ZINC000021876948 553719182 /nfs/dbraw/zinc/71/91/82/553719182.db2.gz JKRYYILZGNYRDC-HHHXNRCGSA-N 0 0 523.565 2.520 50 0 KFAARN CCOc1cc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)ccc1OC ZINC000021876951 553719443 /nfs/dbraw/zinc/71/94/43/553719443.db2.gz JKRYYILZGNYRDC-MHZLTWQESA-N 0 0 523.565 2.520 50 0 KFAARN CCOc1ccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1 ZINC000021877234 553719410 /nfs/dbraw/zinc/71/94/10/553719410.db2.gz YRBBUMJUSJMYRI-MUUNZHRXSA-N 0 0 503.603 2.723 50 0 KFAARN CCOc1ccc(CCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1 ZINC000021877237 553719426 /nfs/dbraw/zinc/71/94/26/553719426.db2.gz YRBBUMJUSJMYRI-NDEPHWFRSA-N 0 0 503.603 2.723 50 0 KFAARN CCOc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1OC ZINC000021877291 553719419 /nfs/dbraw/zinc/71/94/19/553719419.db2.gz DXAVWFWHAABEIJ-MUUNZHRXSA-N 0 0 519.602 2.690 50 0 KFAARN CCOc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1OC ZINC000021877295 553719358 /nfs/dbraw/zinc/71/93/58/553719358.db2.gz DXAVWFWHAABEIJ-NDEPHWFRSA-N 0 0 519.602 2.690 50 0 KFAARN CCOc1cc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)ccc1OC ZINC000021877311 553719429 /nfs/dbraw/zinc/71/94/29/553719429.db2.gz FSQGEDXVWPXYCD-MUUNZHRXSA-N 0 0 519.602 2.690 50 0 KFAARN CCOc1cc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)ccc1OC ZINC000021877314 553719318 /nfs/dbraw/zinc/71/93/18/553719318.db2.gz FSQGEDXVWPXYCD-NDEPHWFRSA-N 0 0 519.602 2.690 50 0 KFAARN CCN1C(=O)c2cc(C(=O)NCc3ccccc3Br)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877517 553719389 /nfs/dbraw/zinc/71/93/89/553719389.db2.gz MMVWBLHQPLYXLR-QHCPKHFHSA-N 0 0 502.413 2.869 50 0 KFAARN CCN1C(=O)c2cc(C(=O)NCc3ccccc3Br)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877519 553719651 /nfs/dbraw/zinc/71/96/51/553719651.db2.gz MMVWBLHQPLYXLR-HSZRJFAPSA-N 0 0 502.413 2.869 50 0 KFAARN CCN1C(=O)c2cc(C(=O)NCc3cccc(Br)c3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877579 553719722 /nfs/dbraw/zinc/71/97/22/553719722.db2.gz WGEQSSBHINZWFY-QHCPKHFHSA-N 0 0 502.413 2.869 50 0 KFAARN CCN1C(=O)c2cc(C(=O)NCc3cccc(Br)c3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877581 553719597 /nfs/dbraw/zinc/71/95/97/553719597.db2.gz WGEQSSBHINZWFY-HSZRJFAPSA-N 0 0 502.413 2.869 50 0 KFAARN CCN1C(=O)c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877599 553719700 /nfs/dbraw/zinc/71/97/00/553719700.db2.gz NMGUXTUYAYZOGE-NDEPHWFRSA-N 0 0 506.651 2.756 50 0 KFAARN CCN1C(=O)c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877601 553719615 /nfs/dbraw/zinc/71/96/15/553719615.db2.gz NMGUXTUYAYZOGE-MUUNZHRXSA-N 0 0 506.651 2.756 50 0 KFAARN CCCN1C(=O)c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877665 553719705 /nfs/dbraw/zinc/71/97/05/553719705.db2.gz GRPLWUFMVNIZBR-MHZLTWQESA-N 0 0 511.623 2.556 50 0 KFAARN CCCN1C(=O)c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877667 553719639 /nfs/dbraw/zinc/71/96/39/553719639.db2.gz GRPLWUFMVNIZBR-HHHXNRCGSA-N 0 0 511.623 2.556 50 0 KFAARN CCCN1C(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877808 553719668 /nfs/dbraw/zinc/71/96/68/553719668.db2.gz SMDZLWJLHBOTHW-NDEPHWFRSA-N 0 0 506.651 2.524 50 0 KFAARN CCCN1C(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877810 553719690 /nfs/dbraw/zinc/71/96/90/553719690.db2.gz SMDZLWJLHBOTHW-MUUNZHRXSA-N 0 0 506.651 2.524 50 0 KFAARN CCCN1C(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877816 553719686 /nfs/dbraw/zinc/71/96/86/553719686.db2.gz PMLDDWOQHOPNBI-MHZLTWQESA-N 0 0 510.614 2.668 50 0 KFAARN CCCN1C(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877818 553719628 /nfs/dbraw/zinc/71/96/28/553719628.db2.gz PMLDDWOQHOPNBI-HHHXNRCGSA-N 0 0 510.614 2.668 50 0 KFAARN CCCN1C(=O)c2cc(C(=O)NCc3ccc(OCC)c(OC)c3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877828 553719653 /nfs/dbraw/zinc/71/96/53/553719653.db2.gz ZJFMUGZKXPNLPN-MHZLTWQESA-N 0 0 511.623 2.904 50 0 KFAARN CCCN1C(=O)c2cc(C(=O)NCc3ccc(OCC)c(OC)c3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877830 553719648 /nfs/dbraw/zinc/71/96/48/553719648.db2.gz ZJFMUGZKXPNLPN-HHHXNRCGSA-N 0 0 511.623 2.904 50 0 KFAARN CCCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)c(OC)c3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021878076 553719997 /nfs/dbraw/zinc/71/99/97/553719997.db2.gz CQRDOQFXIWBLOW-MHZLTWQESA-N 0 0 511.623 2.904 50 0 KFAARN CCCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)c(OC)c3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021878078 553719914 /nfs/dbraw/zinc/71/99/14/553719914.db2.gz CQRDOQFXIWBLOW-HHHXNRCGSA-N 0 0 511.623 2.904 50 0 KFAARN CCCCN1C(=O)c2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021878096 553719965 /nfs/dbraw/zinc/71/99/65/553719965.db2.gz MUWZSEOAHHBRCG-LJAQVGFWSA-N 0 0 536.677 2.928 50 0 KFAARN CCCCN1C(=O)c2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021878098 553719979 /nfs/dbraw/zinc/71/99/79/553719979.db2.gz MUWZSEOAHHBRCG-GDLZYMKVSA-N 0 0 536.677 2.928 50 0 KFAARN CCCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3OC)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021878119 553719992 /nfs/dbraw/zinc/71/99/92/553719992.db2.gz JXJFWGIJZJTZSC-MHZLTWQESA-N 0 0 511.623 2.904 50 0 KFAARN CCCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3OC)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021878121 553719969 /nfs/dbraw/zinc/71/99/69/553719969.db2.gz JXJFWGIJZJTZSC-HHHXNRCGSA-N 0 0 511.623 2.904 50 0 KFAARN CCCCN1C(=O)c2cc(C(=O)NCc3cc(OC)ccc3OC)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021878123 553719998 /nfs/dbraw/zinc/71/99/98/553719998.db2.gz JMJYGPGJSSZCLC-MHZLTWQESA-N 0 0 511.623 2.904 50 0 KFAARN CCCCN1C(=O)c2cc(C(=O)NCc3cc(OC)ccc3OC)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021878125 553719999 /nfs/dbraw/zinc/71/99/99/553719999.db2.gz JMJYGPGJSSZCLC-HHHXNRCGSA-N 0 0 511.623 2.904 50 0 KFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1)N(Cc1ccc(OC)cc1OC)C2=O ZINC000021879235 553719989 /nfs/dbraw/zinc/71/99/89/553719989.db2.gz GZZRXRXSLNFAQM-HHHXNRCGSA-N 0 0 506.559 2.808 50 0 KFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(Cc1ccc(OC)cc1OC)C2=O ZINC000021879237 553719956 /nfs/dbraw/zinc/71/99/56/553719956.db2.gz GZZRXRXSLNFAQM-MHZLTWQESA-N 0 0 506.559 2.808 50 0 KFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1)N(Cc1cccc(OC)c1OC)C2=O ZINC000021879239 553719900 /nfs/dbraw/zinc/71/99/00/553719900.db2.gz NWNZVAGUUZJIHS-HHHXNRCGSA-N 0 0 506.559 2.808 50 0 KFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(Cc1cccc(OC)c1OC)C2=O ZINC000021879241 553720000 /nfs/dbraw/zinc/72/00/00/553720000.db2.gz NWNZVAGUUZJIHS-MHZLTWQESA-N 0 0 506.559 2.808 50 0 KFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1)N(Cc1cc(OC)ccc1OC)C2=O ZINC000021879251 553719986 /nfs/dbraw/zinc/71/99/86/553719986.db2.gz WFYIBUUDOIOIDF-HHHXNRCGSA-N 0 0 506.559 2.808 50 0 KFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(Cc1cc(OC)ccc1OC)C2=O ZINC000021879253 553719991 /nfs/dbraw/zinc/71/99/91/553719991.db2.gz WFYIBUUDOIOIDF-MHZLTWQESA-N 0 0 506.559 2.808 50 0 KFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1OC)N(c1cc(OC)cc(OC)c1)C2=O ZINC000021879267 553719996 /nfs/dbraw/zinc/71/99/96/553719996.db2.gz HPSVXYWVGKUYDZ-HHHXNRCGSA-N 0 0 522.558 2.821 50 0 KFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1OC)N(c1cc(OC)cc(OC)c1)C2=O ZINC000021879269 553720242 /nfs/dbraw/zinc/72/02/42/553720242.db2.gz HPSVXYWVGKUYDZ-MHZLTWQESA-N 0 0 522.558 2.821 50 0 KFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1OC)N(c1ccc3c(c1)OCO3)C2=O ZINC000021879314 553720191 /nfs/dbraw/zinc/72/01/91/553720191.db2.gz FUADDHOYQIIEIH-AREMUKBSSA-N 0 0 506.515 2.533 50 0 KFAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1OC)N(c1ccc3c(c1)OCO3)C2=O ZINC000021879316 553720216 /nfs/dbraw/zinc/72/02/16/553720216.db2.gz FUADDHOYQIIEIH-SANMLTNESA-N 0 0 506.515 2.533 50 0 KFAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(Cc1cccc(OC)c1OC)C2=O ZINC000021879582 553720161 /nfs/dbraw/zinc/72/01/61/553720161.db2.gz ZRWKITKIVJTMST-HHHXNRCGSA-N 0 0 524.549 2.947 50 0 KFAARN 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O=C(c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2)N1CCC2(CC1)OCCO2 ZINC000029749693 553852479 /nfs/dbraw/zinc/85/24/79/553852479.db2.gz IVJULUMMPMUKOI-OAQYLSRUSA-N 0 0 537.997 2.806 50 0 KFAARN O=C(CCCCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000029749765 553852775 /nfs/dbraw/zinc/85/27/75/553852775.db2.gz MBNNNJVQDZQAJK-UHFFFAOYSA-N 0 0 573.631 2.886 50 0 KFAARN Cc1cc(NC(=O)Cn2c3ccsc3c(=O)n(CCCCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)n[nH]1 ZINC000029749769 553852858 /nfs/dbraw/zinc/85/28/58/553852858.db2.gz ORWOQMRVBAMGEE-UHFFFAOYSA-N 0 0 552.613 2.500 50 0 KFAARN COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1OC ZINC000029749868 553852836 /nfs/dbraw/zinc/85/28/36/553852836.db2.gz ZJESLXQKAYKUPS-UHFFFAOYSA-N 0 0 616.671 2.755 50 0 KFAARN COc1ccc(NC(C)=O)cc1NC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000029752469 553853333 /nfs/dbraw/zinc/85/33/33/553853333.db2.gz UULQLQYBEVVXDU-UHFFFAOYSA-N 0 0 539.452 2.751 50 0 KFAARN 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CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC)c(OC)c3)N(CC(=O)OC)C2=S)cc1 ZINC000032122957 553865626 /nfs/dbraw/zinc/86/56/26/553865626.db2.gz IMTHNLABVDYTEZ-UNOMPAQXSA-N 0 0 514.556 2.793 50 0 KFAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2nc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000032638798 553871215 /nfs/dbraw/zinc/87/12/15/553871215.db2.gz PNTIVPZNWJMFDG-CYBMUJFWSA-N 0 0 502.376 2.902 50 0 KFAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2nc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000032638799 553871347 /nfs/dbraw/zinc/87/13/47/553871347.db2.gz PNTIVPZNWJMFDG-ZDUSSCGKSA-N 0 0 502.376 2.902 50 0 KFAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 ZINC000032638831 553871370 /nfs/dbraw/zinc/87/13/70/553871370.db2.gz DWZXXUIXYQCMPH-UHFFFAOYSA-N 0 0 523.040 2.684 50 0 KFAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)NC(=O)NC1CCCCC1 ZINC000032652478 553872193 /nfs/dbraw/zinc/87/21/93/553872193.db2.gz KWDVFMTXGMXNLG-UHFFFAOYSA-N 0 0 510.966 2.824 50 0 KFAARN CC(C)CN(C(=O)CN(C)C(=O)c1cc(Cl)nc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032666209 553872060 /nfs/dbraw/zinc/87/20/60/553872060.db2.gz JRWGTVPJXPOKTL-UHFFFAOYSA-N 0 0 515.014 2.738 50 0 KFAARN CCN(C(=O)COC(=O)c1c2ccccc2nc2c1CCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666473 553872463 /nfs/dbraw/zinc/87/24/63/553872463.db2.gz WPZSGKLDMFHFFB-UHFFFAOYSA-N 0 0 527.581 2.804 50 0 KFAARN CC(C)CN(C(=O)COC(=O)c1cc2ccccc2cc1O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666475 553872459 /nfs/dbraw/zinc/87/24/59/553872459.db2.gz MWAUGWOFZNXSQA-UHFFFAOYSA-N 0 0 516.554 2.872 50 0 KFAARN CCN(C(=O)COC(=O)CCCOc1ccc(Cl)cc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666478 553872507 /nfs/dbraw/zinc/87/25/07/553872507.db2.gz BCSJOQULVLFANG-UHFFFAOYSA-N 0 0 528.993 2.884 50 0 KFAARN CCN(C(=O)COC(=O)CCCc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666479 553872505 /nfs/dbraw/zinc/87/25/05/553872505.db2.gz FRFZBAYHCPSNJC-UHFFFAOYSA-N 0 0 503.559 2.567 50 0 KFAARN CCN(C(=O)COC(=O)C(c1ccccc1)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666481 553872456 /nfs/dbraw/zinc/87/24/56/553872456.db2.gz HRHDKBIMJKWNKV-UHFFFAOYSA-N 0 0 512.566 2.895 50 0 KFAARN CCN(C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666485 553872416 /nfs/dbraw/zinc/87/24/16/553872416.db2.gz RVBNKGWENHPUPS-UHFFFAOYSA-N 0 0 514.966 2.574 50 0 KFAARN CCN(C(=O)COC(=O)c1cc2ccccc2cc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666490 553872452 /nfs/dbraw/zinc/87/24/52/553872452.db2.gz KNWJQYRTTHDBIC-UHFFFAOYSA-N 0 0 502.527 2.539 50 0 KFAARN CCN(C(=O)COC(=O)c1ccccc1Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666491 553872428 /nfs/dbraw/zinc/87/24/28/553872428.db2.gz JPMJRPGNZWBUJS-UHFFFAOYSA-N 0 0 512.566 2.968 50 0 KFAARN CCc1nc2ccccc2c(C(=O)OCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C ZINC000032666494 553872438 /nfs/dbraw/zinc/87/24/38/553872438.db2.gz MKWOXQQKTLDECG-UHFFFAOYSA-N 0 0 515.570 2.796 50 0 KFAARN CCN(C(=O)COC(=O)CCOc1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666498 553872475 /nfs/dbraw/zinc/87/24/75/553872475.db2.gz CCOOVBATAAPYDF-UHFFFAOYSA-N 0 0 522.602 2.830 50 0 KFAARN CCN(C(=O)COC(=O)CCCc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666504 553872408 /nfs/dbraw/zinc/87/24/08/553872408.db2.gz KJJCMQNPYCNGBF-UHFFFAOYSA-N 0 0 521.599 2.696 50 0 KFAARN CCN(C(=O)COC(=O)c1ccccc1NCc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666515 553872812 /nfs/dbraw/zinc/87/28/12/553872812.db2.gz MZRBMBGFVMWATB-UHFFFAOYSA-N 0 0 517.542 2.582 50 0 KFAARN CCN(C(=O)COC(=O)CSc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666520 553872919 /nfs/dbraw/zinc/87/29/19/553872919.db2.gz LNAIOWYGBOTAQH-UHFFFAOYSA-N 0 0 502.980 2.509 50 0 KFAARN CCN(C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666608 553872869 /nfs/dbraw/zinc/87/28/69/553872869.db2.gz QSEOYYFHITVIMQ-UHFFFAOYSA-N 0 0 516.554 2.541 50 0 KFAARN C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C(=O)N(C)C1CCCCC1 ZINC000032691570 553873131 /nfs/dbraw/zinc/87/31/31/553873131.db2.gz WMJJSVAHKLOJRM-OAHLLOKOSA-N 0 0 517.442 2.806 50 0 KFAARN C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C(=O)N(C)C1CCCCC1 ZINC000032691572 553873161 /nfs/dbraw/zinc/87/31/61/553873161.db2.gz WMJJSVAHKLOJRM-HNNXBMFYSA-N 0 0 517.442 2.806 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1 ZINC000032717019 553873568 /nfs/dbraw/zinc/87/35/68/553873568.db2.gz RZRJWMUYODWLFN-UHFFFAOYSA-N 0 0 504.568 2.541 50 0 KFAARN COc1ccc(CCN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1OC ZINC000032720248 553873505 /nfs/dbraw/zinc/87/35/05/553873505.db2.gz CRVZAUWHQXZHCK-UHFFFAOYSA-N 0 0 510.572 2.989 50 0 KFAARN COc1cc(OC)cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)c1 ZINC000032721153 553873576 /nfs/dbraw/zinc/87/35/76/553873576.db2.gz WRZOLQBREVIHFA-ODLFYWEKSA-N 0 0 503.964 2.940 50 0 KFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000032721576 553873735 /nfs/dbraw/zinc/87/37/35/553873735.db2.gz DAQKGGXAMSQUAH-UHFFFAOYSA-N 0 0 521.599 2.832 50 0 KFAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCN(C(=O)c5cccs5)CC4)C3=O)ccc2c1 ZINC000032722817 553873852 /nfs/dbraw/zinc/87/38/52/553873852.db2.gz VWCZRZMNIUBAOQ-AREMUKBSSA-N 0 0 506.584 2.662 50 0 KFAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(C(=O)c5cccs5)CC4)C3=O)ccc2c1 ZINC000032722819 553873802 /nfs/dbraw/zinc/87/38/02/553873802.db2.gz VWCZRZMNIUBAOQ-SANMLTNESA-N 0 0 506.584 2.662 50 0 KFAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c1 ZINC000032735839 553874326 /nfs/dbraw/zinc/87/43/26/553874326.db2.gz HOUHEVHMHPBHES-NRFANRHFSA-N 0 0 523.615 2.828 50 0 KFAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c1 ZINC000032735840 553874185 /nfs/dbraw/zinc/87/41/85/553874185.db2.gz HOUHEVHMHPBHES-OAQYLSRUSA-N 0 0 523.615 2.828 50 0 KFAARN O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000032740930 553874638 /nfs/dbraw/zinc/87/46/38/553874638.db2.gz OSXIPCOQCQTINH-UHFFFAOYSA-N 0 0 510.522 2.811 50 0 KFAARN COCCn1c(SCC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)nc2sc3c(c2c1=O)CCC3 ZINC000032745339 553874646 /nfs/dbraw/zinc/87/46/46/553874646.db2.gz MKPXXEGUQORECG-UHFFFAOYSA-N 0 0 501.590 2.770 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CCC(=O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000032797481 553875152 /nfs/dbraw/zinc/87/51/52/553875152.db2.gz VPSBXKHZZDFAMF-UHFFFAOYSA-N 0 0 507.008 2.996 50 0 KFAARN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc43)CC2)cc1 ZINC000032806450 553875144 /nfs/dbraw/zinc/87/51/44/553875144.db2.gz PACYBDDVWCBGOG-UHFFFAOYSA-N 0 0 515.642 2.517 50 0 KFAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000032808624 553875121 /nfs/dbraw/zinc/87/51/21/553875121.db2.gz SPNUSTCYJWUWSL-UHFFFAOYSA-N 0 0 518.444 2.680 50 0 KFAARN CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(CC)CC)cc3)C2=O)cc1 ZINC000032811073 553875300 /nfs/dbraw/zinc/87/53/00/553875300.db2.gz GCYGHCIDRVKXFX-XMMPIXPASA-N 0 0 502.593 2.522 50 0 KFAARN CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(CC)CC)cc3)C2=O)cc1 ZINC000032811075 553875292 /nfs/dbraw/zinc/87/52/92/553875292.db2.gz GCYGHCIDRVKXFX-DEOSSOPVSA-N 0 0 502.593 2.522 50 0 KFAARN CC(C)CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 ZINC000032814475 553875290 /nfs/dbraw/zinc/87/52/90/553875290.db2.gz IQCUSKLPGOGLLT-RUZDIDTESA-N 0 0 516.620 2.768 50 0 KFAARN CC(C)CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 ZINC000032814477 553875294 /nfs/dbraw/zinc/87/52/94/553875294.db2.gz IQCUSKLPGOGLLT-VWLOTQADSA-N 0 0 516.620 2.768 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CCn2nnc3ccccc3c2=O)c1 ZINC000032836517 553875299 /nfs/dbraw/zinc/87/52/99/553875299.db2.gz XWAOBCPVEFQSLN-UHFFFAOYSA-N 0 0 512.636 2.841 50 0 KFAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccco1 ZINC000032859622 553875595 /nfs/dbraw/zinc/87/55/95/553875595.db2.gz SOQPSPYFRLHUFV-UHFFFAOYSA-N 0 0 512.013 2.963 50 0 KFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)c1 ZINC000032859729 553875646 /nfs/dbraw/zinc/87/56/46/553875646.db2.gz NSNBDYYJPNKQRM-UHFFFAOYSA-N 0 0 516.579 2.735 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000032910182 553875857 /nfs/dbraw/zinc/87/58/57/553875857.db2.gz IFEGNMNQEASELN-UHFFFAOYSA-N 0 0 514.522 2.777 50 0 KFAARN CC1(C)Cc2cccc(OCC(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2O1 ZINC000032910331 553875860 /nfs/dbraw/zinc/87/58/60/553875860.db2.gz XIWZZUGHDLTOPM-UHFFFAOYSA-N 0 0 523.007 2.509 50 0 KFAARN CCOc1ccc(OCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000032910351 553875890 /nfs/dbraw/zinc/87/58/90/553875890.db2.gz NWGCXCFERVIQPN-UHFFFAOYSA-N 0 0 504.605 2.547 50 0 KFAARN CC(=O)c1ccc(OCCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000032910647 553875865 /nfs/dbraw/zinc/87/58/65/553875865.db2.gz FWMNEYDCTKHQKR-UHFFFAOYSA-N 0 0 516.616 2.741 50 0 KFAARN CCCOc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC ZINC000032910649 553875875 /nfs/dbraw/zinc/87/58/75/553875875.db2.gz ZXFJCKBGZCAIRM-UHFFFAOYSA-N 0 0 504.605 2.791 50 0 KFAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000032910702 553875919 /nfs/dbraw/zinc/87/59/19/553875919.db2.gz KCHRUMCRUDJZDA-QGZVFWFLSA-N 0 0 503.577 2.684 50 0 KFAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000032910703 553875867 /nfs/dbraw/zinc/87/58/67/553875867.db2.gz KCHRUMCRUDJZDA-KRWDZBQOSA-N 0 0 503.577 2.684 50 0 KFAARN COc1ccc(OCCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000032910753 553876220 /nfs/dbraw/zinc/87/62/20/553876220.db2.gz GHJDXQIGINQCRV-UHFFFAOYSA-N 0 0 504.605 2.547 50 0 KFAARN Cc1ccccc1SCC(=O)OCC(=O)NCCNC(=O)COC(=O)CSc1ccccc1C ZINC000032910987 553876193 /nfs/dbraw/zinc/87/61/93/553876193.db2.gz BTQJFOPFUPYKPN-UHFFFAOYSA-N 0 0 504.630 2.507 50 0 KFAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccncc1 ZINC000032911171 553876087 /nfs/dbraw/zinc/87/60/87/553876087.db2.gz IKIZIBALEBIXIO-UHFFFAOYSA-N 0 0 523.040 2.765 50 0 KFAARN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)NCCS(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC000032915276 553876538 /nfs/dbraw/zinc/87/65/38/553876538.db2.gz QKFUQNMBIAIANW-UHFFFAOYSA-N 0 0 525.583 2.784 50 0 KFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)Nc1ccccc1O ZINC000032925313 553876457 /nfs/dbraw/zinc/87/64/57/553876457.db2.gz LNDZTRACLDBZMW-UHFFFAOYSA-N 0 0 513.547 2.838 50 0 KFAARN CCN(C(=O)CSc1nnc(C)n1-c1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032941791 553876808 /nfs/dbraw/zinc/87/68/08/553876808.db2.gz COABFHVBUVFQFS-UHFFFAOYSA-N 0 0 505.604 2.510 50 0 KFAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C/c1ccccc1 ZINC000032942976 553876815 /nfs/dbraw/zinc/87/68/15/553876815.db2.gz ARKDCMITHCDUHI-JLHYYAGUSA-N 0 0 501.605 2.749 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCCC[C@@H]1CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000032944979 553879766 /nfs/dbraw/zinc/87/97/66/553879766.db2.gz ZZVCBTLGMFJLGS-IBGZPJMESA-N 0 0 521.659 2.557 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCCC[C@H]1CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000032944982 553879773 /nfs/dbraw/zinc/87/97/73/553879773.db2.gz ZZVCBTLGMFJLGS-LJQANCHMSA-N 0 0 521.659 2.557 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N(CC)C1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000032944987 553879801 /nfs/dbraw/zinc/87/98/01/553879801.db2.gz XYXSUJJBRAVVDH-UHFFFAOYSA-N 0 0 535.686 2.947 50 0 KFAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000032956566 553881460 /nfs/dbraw/zinc/88/14/60/553881460.db2.gz PKKSHGCAKRWXAW-UHFFFAOYSA-N 0 0 517.604 2.536 50 0 KFAARN CCc1ccc(-c2nc(SCC(=O)N(CC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n[nH]2)cc1 ZINC000032957590 553881409 /nfs/dbraw/zinc/88/14/09/553881409.db2.gz OELNMYRTSLRORH-UHFFFAOYSA-N 0 0 505.604 2.660 50 0 KFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)c(=O)[nH]c1=O ZINC000032957704 553881482 /nfs/dbraw/zinc/88/14/82/553881482.db2.gz OZKMVXMOBVUXFX-UHFFFAOYSA-N 0 0 532.686 2.825 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)cc1 ZINC000032958593 553881712 /nfs/dbraw/zinc/88/17/12/553881712.db2.gz ZMRRDFRXOOIFJP-UHFFFAOYSA-N 0 0 501.561 2.542 50 0 KFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)CC1)OCC(=O)N2 ZINC000032958680 553881798 /nfs/dbraw/zinc/88/17/98/553881798.db2.gz QUVZIFUIYANESM-FQEVSTJZSA-N 0 0 517.604 2.527 50 0 KFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)CC1)OCC(=O)N2 ZINC000032958682 553881719 /nfs/dbraw/zinc/88/17/19/553881719.db2.gz QUVZIFUIYANESM-HXUWFJFHSA-N 0 0 517.604 2.527 50 0 KFAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC1)OCC(=O)N2 ZINC000032958687 553881755 /nfs/dbraw/zinc/88/17/55/553881755.db2.gz SKSFHBTVUZDZKX-UHFFFAOYSA-N 0 0 501.605 2.830 50 0 KFAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1OC ZINC000032958690 553881787 /nfs/dbraw/zinc/88/17/87/553881787.db2.gz OLIADGIPXBFFKT-UHFFFAOYSA-N 0 0 509.968 2.728 50 0 KFAARN COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc(OC)c1 ZINC000032958717 553881699 /nfs/dbraw/zinc/88/16/99/553881699.db2.gz BPAKLUUNMZCKNQ-UHFFFAOYSA-N 0 0 509.968 2.728 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1 ZINC000032958829 553881797 /nfs/dbraw/zinc/88/17/97/553881797.db2.gz VDZWGJJLUWQWDC-UHFFFAOYSA-N 0 0 506.968 2.669 50 0 KFAARN CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000032958841 553881775 /nfs/dbraw/zinc/88/17/75/553881775.db2.gz FCUAUTDWBXQWKZ-UHFFFAOYSA-N 0 0 507.996 2.787 50 0 KFAARN CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1 ZINC000032958843 553881759 /nfs/dbraw/zinc/88/17/59/553881759.db2.gz QSYRZUDJCURIGK-UHFFFAOYSA-N 0 0 507.996 2.787 50 0 KFAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)N3CCN(c4ccccn4)CC3)cc1)c2=O ZINC000032959286 553881941 /nfs/dbraw/zinc/88/19/41/553881941.db2.gz WDQAHSUYMLOHSU-UHFFFAOYSA-N 0 0 501.568 2.818 50 0 KFAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000032960978 553882259 /nfs/dbraw/zinc/88/22/59/553882259.db2.gz BBGJTGBCWJBVLZ-UHFFFAOYSA-N 0 0 519.567 2.606 50 0 KFAARN COc1ccc(Br)cc1CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000032962397 553882360 /nfs/dbraw/zinc/88/23/60/553882360.db2.gz KTJRBNHOGPCBJR-UHFFFAOYSA-N 0 0 503.440 2.741 50 0 KFAARN COc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000032963942 553882492 /nfs/dbraw/zinc/88/24/92/553882492.db2.gz BSUMJQRWVONGSW-UHFFFAOYSA-N 0 0 507.509 2.914 50 0 KFAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032966543 553882416 /nfs/dbraw/zinc/88/24/16/553882416.db2.gz PPZJDXXJWXIXLJ-UHFFFAOYSA-N 0 0 501.605 2.572 50 0 KFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)c2)CC1 ZINC000032966545 553882412 /nfs/dbraw/zinc/88/24/12/553882412.db2.gz HTFREXIHMCAXHX-UHFFFAOYSA-N 0 0 507.056 2.994 50 0 KFAARN CCOc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1OCC ZINC000032966672 553882770 /nfs/dbraw/zinc/88/27/70/553882770.db2.gz WKTNYRIQABMTAC-FQEVSTJZSA-N 0 0 527.618 2.989 50 0 KFAARN CCOc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1OCC ZINC000032966674 553882851 /nfs/dbraw/zinc/88/28/51/553882851.db2.gz WKTNYRIQABMTAC-HXUWFJFHSA-N 0 0 527.618 2.989 50 0 KFAARN COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)N2CCOCC2)cc1 ZINC000032969186 553882903 /nfs/dbraw/zinc/88/29/03/553882903.db2.gz PVCCCORJEFPTFT-HXUWFJFHSA-N 0 0 515.554 2.572 50 0 KFAARN COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)N2CCOCC2)cc1 ZINC000032969188 553882943 /nfs/dbraw/zinc/88/29/43/553882943.db2.gz PVCCCORJEFPTFT-FQEVSTJZSA-N 0 0 515.554 2.572 50 0 KFAARN CC(C)CN(C(=O)CN(C)C(=O)CSc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032971931 553883310 /nfs/dbraw/zinc/88/33/10/553883310.db2.gz NDNHVPPLWBWGFD-UHFFFAOYSA-N 0 0 510.060 2.668 50 0 KFAARN Cc1cc(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)ccc1C(C)C ZINC000032971933 553883278 /nfs/dbraw/zinc/88/32/78/553883278.db2.gz BMHACADWAZMDGP-UHFFFAOYSA-N 0 0 515.655 2.733 50 0 KFAARN CCOc1ccc2oc(C(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c(C)c2c1 ZINC000032971936 553883236 /nfs/dbraw/zinc/88/32/36/553883236.db2.gz LEKNYZSMALQUIV-UHFFFAOYSA-N 0 0 527.622 2.989 50 0 KFAARN CCCOc1ccc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OCC ZINC000032971951 553883275 /nfs/dbraw/zinc/88/32/75/553883275.db2.gz ACQQAXAEPMHXCA-UHFFFAOYSA-N 0 0 531.654 2.724 50 0 KFAARN CC(C)CN(C(=O)CN(C)C(=O)COc1c(Cl)cccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032971953 553883284 /nfs/dbraw/zinc/88/32/84/553883284.db2.gz LULNRULKJNQHOQ-UHFFFAOYSA-N 0 0 528.437 2.608 50 0 KFAARN CC(C)CN(C(=O)CN(C)C(=O)C=Cc1ccc(C(F)(F)F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032971963 553883315 /nfs/dbraw/zinc/88/33/15/553883315.db2.gz LLVKQWAYIJGHSG-DHZHZOJOSA-N 0 0 523.556 2.954 50 0 KFAARN Cc1cc2occ(CC(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c2cc1C ZINC000032971965 553883216 /nfs/dbraw/zinc/88/32/16/553883216.db2.gz SHAOMMCQNALUEQ-UHFFFAOYSA-N 0 0 511.623 2.828 50 0 KFAARN CC(C)CN(C(=O)CN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032971969 553883246 /nfs/dbraw/zinc/88/32/46/553883246.db2.gz TWZLJTWHQSLTDH-INIZCTEOSA-N 0 0 503.669 2.722 50 0 KFAARN CC(C)CN(C(=O)CN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032971972 553883220 /nfs/dbraw/zinc/88/32/20/553883220.db2.gz TWZLJTWHQSLTDH-MRXNPFEDSA-N 0 0 503.669 2.722 50 0 KFAARN CCCCOc1ccc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC ZINC000032971987 553883198 /nfs/dbraw/zinc/88/31/98/553883198.db2.gz BKZVLODLWBBDJI-UHFFFAOYSA-N 0 0 531.654 2.724 50 0 KFAARN CC(C)CN(C(=O)CN(C)C(=O)Cc1ccc(Cl)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032972007 553883402 /nfs/dbraw/zinc/88/34/02/553883402.db2.gz PRDFAACUYHQHNM-UHFFFAOYSA-N 0 0 512.438 2.772 50 0 KFAARN CC(C)CN(C(=O)CN(C)C(=O)C=Cc1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032972009 553883426 /nfs/dbraw/zinc/88/34/26/553883426.db2.gz OIILIJYCRWKAGP-MDZDMXLPSA-N 0 0 523.556 2.954 50 0 KFAARN CCCCOc1ccc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000032972020 553883431 /nfs/dbraw/zinc/88/34/31/553883431.db2.gz BQDCWJOGWJTOOG-UHFFFAOYSA-N 0 0 501.628 2.715 50 0 KFAARN CC(C)CN(C(=O)CN(C)C(=O)CCOc1ccc(C(C)(C)C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032972039 553883464 /nfs/dbraw/zinc/88/34/64/553883464.db2.gz YRKAIGHYHVQMCS-UHFFFAOYSA-N 0 0 529.682 2.989 50 0 KFAARN CCCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032981947 553884821 /nfs/dbraw/zinc/88/48/21/553884821.db2.gz PYCVAVLRAKCAGJ-UHFFFAOYSA-N 0 0 536.677 2.958 50 0 KFAARN Cc1ccc(CN2C[C@@H](C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)cc1 ZINC000032985905 553886274 /nfs/dbraw/zinc/88/62/74/553886274.db2.gz ATUFORLPNGAAHV-QFIPXVFZSA-N 0 0 503.603 2.513 50 0 KFAARN Cc1ccc(CN2C[C@H](C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)cc1 ZINC000032985907 553886367 /nfs/dbraw/zinc/88/63/67/553886367.db2.gz ATUFORLPNGAAHV-JOCHJYFZSA-N 0 0 503.603 2.513 50 0 KFAARN Cc1ccc(NC(=O)CSCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000032985915 553886654 /nfs/dbraw/zinc/88/66/54/553886654.db2.gz CZYYSJCJNATHED-UHFFFAOYSA-N 0 0 509.632 2.836 50 0 KFAARN Cc1cccc(NC(=O)CSCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000032985916 553886647 /nfs/dbraw/zinc/88/66/47/553886647.db2.gz XKGLKEOOJCIGHB-UHFFFAOYSA-N 0 0 509.632 2.836 50 0 KFAARN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1OC ZINC000032989028 553886782 /nfs/dbraw/zinc/88/67/82/553886782.db2.gz PYKTUFMYUVOBIR-XVGVPAQSSA-N 0 0 505.618 2.700 50 0 KFAARN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1OC ZINC000032989032 553886853 /nfs/dbraw/zinc/88/68/53/553886853.db2.gz PYKTUFMYUVOBIR-ASJFBOEQSA-N 0 0 505.618 2.700 50 0 KFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O ZINC000032990892 553886795 /nfs/dbraw/zinc/88/67/95/553886795.db2.gz HJXDXQMNNHSZPD-UHFFFAOYSA-N 0 0 502.660 2.566 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)cc1 ZINC000032992574 553887080 /nfs/dbraw/zinc/88/70/80/553887080.db2.gz ILKFOLWPRYAHHZ-RUZDIDTESA-N 0 0 507.612 2.569 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)cc1 ZINC000032992576 553887056 /nfs/dbraw/zinc/88/70/56/553887056.db2.gz ILKFOLWPRYAHHZ-VWLOTQADSA-N 0 0 507.612 2.569 50 0 KFAARN NC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cccc(Br)c1 ZINC000032992628 553887100 /nfs/dbraw/zinc/88/71/00/553887100.db2.gz BPDCMOMMVPRDEH-PCLFDXGNSA-N 0 0 521.437 2.694 50 0 KFAARN NC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cccc(Br)c1 ZINC000032992630 553887063 /nfs/dbraw/zinc/88/70/63/553887063.db2.gz BPDCMOMMVPRDEH-CBHXRGPZSA-N 0 0 521.437 2.694 50 0 KFAARN CCCCN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032994482 553887216 /nfs/dbraw/zinc/88/72/16/553887216.db2.gz LPLKFMRAIKXTBF-UHFFFAOYSA-N 0 0 530.651 2.703 50 0 KFAARN CCCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032994484 553887323 /nfs/dbraw/zinc/88/73/23/553887323.db2.gz JYKSHIALJAFXRI-UHFFFAOYSA-N 0 0 502.660 2.566 50 0 KFAARN COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1OC ZINC000032998241 553887572 /nfs/dbraw/zinc/88/75/72/553887572.db2.gz SQLINDOEENHBFK-IBGZPJMESA-N 0 0 501.605 2.518 50 0 KFAARN COc1ccc(CCN2C[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1OC ZINC000032998244 553887503 /nfs/dbraw/zinc/88/75/03/553887503.db2.gz SQLINDOEENHBFK-LJQANCHMSA-N 0 0 501.605 2.518 50 0 KFAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000032999548 553887714 /nfs/dbraw/zinc/88/77/14/553887714.db2.gz JUFOANDJFRXKBR-UHFFFAOYSA-N 0 0 524.039 2.708 50 0 KFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000032999613 553887821 /nfs/dbraw/zinc/88/78/21/553887821.db2.gz SULGHCHNKZJXQW-UHFFFAOYSA-N 0 0 523.558 2.639 50 0 KFAARN CCOc1cc(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)ccc1OCC(=O)N1CCOCC1 ZINC000032999614 553887792 /nfs/dbraw/zinc/88/77/92/553887792.db2.gz HNAQZRWCRRROKJ-UHFFFAOYSA-N 0 0 505.518 2.702 50 0 KFAARN COC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)cc1 ZINC000032999695 553887815 /nfs/dbraw/zinc/88/78/15/553887815.db2.gz DWMDVBRVZUFHMN-UHFFFAOYSA-N 0 0 500.621 2.652 50 0 KFAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc2C)cc1 ZINC000032999843 553887796 /nfs/dbraw/zinc/88/77/96/553887796.db2.gz GQYDWPZPCJWYEM-UHFFFAOYSA-N 0 0 500.577 2.998 50 0 KFAARN CSCC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000032999919 553888105 /nfs/dbraw/zinc/88/81/05/553888105.db2.gz VIDKGOZJQWAXDU-QGZVFWFLSA-N 0 0 519.567 2.683 50 0 KFAARN CSCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000032999920 553888031 /nfs/dbraw/zinc/88/80/31/553888031.db2.gz VIDKGOZJQWAXDU-KRWDZBQOSA-N 0 0 519.567 2.683 50 0 KFAARN O=C(c1ccc(N2C(=O)c3ccccc3C2=O)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000033000451 553888076 /nfs/dbraw/zinc/88/80/76/553888076.db2.gz DFUHKPQADWKTDK-UHFFFAOYSA-N 0 0 511.506 2.912 50 0 KFAARN Cc1nn(CCCC(=O)N2CCC3(CC2)OCCO3)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033012033 553888207 /nfs/dbraw/zinc/88/82/07/553888207.db2.gz PEPDIBJEJHENPZ-UHFFFAOYSA-N 0 0 502.575 2.827 50 0 KFAARN O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000033023944 553888825 /nfs/dbraw/zinc/88/88/25/553888825.db2.gz MWLZTKMFOFAOBX-UHFFFAOYSA-N 0 0 521.539 2.677 50 0 KFAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1 ZINC000033024657 553888873 /nfs/dbraw/zinc/88/88/73/553888873.db2.gz HTORMGZXKWYDAR-UHFFFAOYSA-N 0 0 507.572 2.996 50 0 KFAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)s1 ZINC000033024673 553888917 /nfs/dbraw/zinc/88/89/17/553888917.db2.gz NDMWNEOVGJUMAF-UHFFFAOYSA-N 0 0 511.535 2.827 50 0 KFAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)s1 ZINC000033024691 553889273 /nfs/dbraw/zinc/88/92/73/553889273.db2.gz MWQFRCSVRXIYIW-UHFFFAOYSA-N 0 0 511.535 2.827 50 0 KFAARN Cc1ccccc1CNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033024692 553889241 /nfs/dbraw/zinc/88/92/41/553889241.db2.gz VOBVRORKPHKYOZ-UHFFFAOYSA-N 0 0 507.572 2.996 50 0 KFAARN CCN1CCN(C(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)CC2)CC1 ZINC000033024898 553889453 /nfs/dbraw/zinc/88/94/53/553889453.db2.gz SVDDUWAAAKYPBU-UHFFFAOYSA-N 0 0 505.044 2.850 50 0 KFAARN COc1ccc([C@@H](CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000033026080 553890420 /nfs/dbraw/zinc/89/04/20/553890420.db2.gz OGADJNZGDCMTKC-DNQXCXABSA-N 0 0 521.705 2.593 50 0 KFAARN COc1ccc([C@H](CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000033026083 553890385 /nfs/dbraw/zinc/89/03/85/553890385.db2.gz OGADJNZGDCMTKC-RPWUZVMVSA-N 0 0 521.705 2.593 50 0 KFAARN COc1ccc([C@@H](CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000033026086 553890450 /nfs/dbraw/zinc/89/04/50/553890450.db2.gz OGADJNZGDCMTKC-BJKOFHAPSA-N 0 0 521.705 2.593 50 0 KFAARN COc1ccc([C@H](CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000033026089 553890471 /nfs/dbraw/zinc/89/04/71/553890471.db2.gz OGADJNZGDCMTKC-ZEQRLZLVSA-N 0 0 521.705 2.593 50 0 KFAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000033028998 553891455 /nfs/dbraw/zinc/89/14/55/553891455.db2.gz ONRLRPCQEOULHZ-UHFFFAOYSA-N 0 0 513.641 2.620 50 0 KFAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)cc1 ZINC000033028999 553891399 /nfs/dbraw/zinc/89/13/99/553891399.db2.gz KSJMUGCEOGMKAA-UHFFFAOYSA-N 0 0 515.613 2.643 50 0 KFAARN COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCC(C)CC3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033233 553892089 /nfs/dbraw/zinc/89/20/89/553892089.db2.gz YDYLHOULPDQSES-UHFFFAOYSA-N 0 0 502.637 2.786 50 0 KFAARN COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033241 553892075 /nfs/dbraw/zinc/89/20/75/553892075.db2.gz SFTRUFCCCAXZLI-GOSISDBHSA-N 0 0 502.637 2.786 50 0 KFAARN COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033242 553892063 /nfs/dbraw/zinc/89/20/63/553892063.db2.gz SFTRUFCCCAXZLI-SFHVURJKSA-N 0 0 502.637 2.786 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000033039576 553893006 /nfs/dbraw/zinc/89/30/06/553893006.db2.gz JRBAAEIKDUXTLJ-FBHQFGEZSA-N 0 0 524.595 2.833 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000033039577 553892963 /nfs/dbraw/zinc/89/29/63/553892963.db2.gz JRBAAEIKDUXTLJ-PZHBDVNGSA-N 0 0 524.595 2.833 50 0 KFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(C(=O)N5CCCCC5)ccc4o3)CC2)cc1 ZINC000033048136 553894493 /nfs/dbraw/zinc/89/44/93/553894493.db2.gz BFFUOLQCUDGZKZ-UHFFFAOYSA-N 0 0 525.631 2.919 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(C(=O)N5CCCCC5)ccc4o3)CC2)cc1OC ZINC000033048139 553894393 /nfs/dbraw/zinc/89/43/93/553894393.db2.gz FUXFMEVRIZTZGR-UHFFFAOYSA-N 0 0 528.631 2.978 50 0 KFAARN CCOC(=O)c1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000033048175 553894442 /nfs/dbraw/zinc/89/44/42/553894442.db2.gz IMHKDBQBANIQMW-MHZLTWQESA-N 0 0 520.542 2.591 50 0 KFAARN CCOC(=O)c1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000033048176 553894446 /nfs/dbraw/zinc/89/44/46/553894446.db2.gz IMHKDBQBANIQMW-HHHXNRCGSA-N 0 0 520.542 2.591 50 0 KFAARN COC(=O)c1ncn2c1C(=O)N(c1cc(OC)c(OC)c(OC)c1)[C@](C)(C(=O)NCc1ccc(C)cc1)C2 ZINC000033048187 553894734 /nfs/dbraw/zinc/89/47/34/553894734.db2.gz ADHBTAAXROUEKR-MHZLTWQESA-N 0 0 522.558 2.739 50 0 KFAARN COC(=O)c1ncn2c1C(=O)N(c1cc(OC)c(OC)c(OC)c1)[C@@](C)(C(=O)NCc1ccc(C)cc1)C2 ZINC000033048188 553894766 /nfs/dbraw/zinc/89/47/66/553894766.db2.gz ADHBTAAXROUEKR-HHHXNRCGSA-N 0 0 522.558 2.739 50 0 KFAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000033058770 553903507 /nfs/dbraw/zinc/90/35/07/553903507.db2.gz CSERFOOGLGHKOF-CMDGGOBGSA-N 0 0 516.664 2.701 50 0 KFAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000033058881 553904038 /nfs/dbraw/zinc/90/40/38/553904038.db2.gz MAVVJZLSWWYQMP-BQYQJAHWSA-N 0 0 520.627 2.532 50 0 KFAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCCN2CCCC2=O)CC1 ZINC000033058887 553904074 /nfs/dbraw/zinc/90/40/74/553904074.db2.gz JPGARYZCAISPJL-MDZDMXLPSA-N 0 0 518.611 2.822 50 0 KFAARN CC[C@@H](CN1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1 ZINC000033058945 553904612 /nfs/dbraw/zinc/90/46/12/553904612.db2.gz QHXVHFRZDJJKOT-UVIRAJKCSA-N 0 0 534.654 2.920 50 0 KFAARN CC[C@H](CN1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1 ZINC000033058946 553904540 /nfs/dbraw/zinc/90/45/40/553904540.db2.gz QHXVHFRZDJJKOT-HYGBKTPJSA-N 0 0 534.654 2.920 50 0 KFAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[C@H](C)N2CCOCC2)CC1 ZINC000033058948 553904556 /nfs/dbraw/zinc/90/45/56/553904556.db2.gz YLZYBNBNFSWDKB-UCFODXPJSA-N 0 0 534.654 2.920 50 0 KFAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[C@@H](C)N2CCOCC2)CC1 ZINC000033058949 553904565 /nfs/dbraw/zinc/90/45/65/553904565.db2.gz YLZYBNBNFSWDKB-IHHMQQGQSA-N 0 0 534.654 2.920 50 0 KFAARN CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(F)cc3F)CC2)CC1 ZINC000033059059 553905109 /nfs/dbraw/zinc/90/51/09/553905109.db2.gz HZLZVCNGVYADCY-FNORWQNLSA-N 0 0 508.591 2.996 50 0 KFAARN COCCCN(C(=O)c1ccc(NC(C)=O)cc1)C1(C(=O)NCc2ccccc2)CCN(C(C)=O)CC1 ZINC000033068354 553905493 /nfs/dbraw/zinc/90/54/93/553905493.db2.gz AJXCBXNYMYAQBQ-UHFFFAOYSA-N 0 0 508.619 2.821 50 0 KFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)ccc21 ZINC000033077499 553906342 /nfs/dbraw/zinc/90/63/42/553906342.db2.gz ZRPFSMCFOXBILP-UHFFFAOYSA-N 0 0 510.660 2.735 50 0 KFAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)ccc21 ZINC000033077505 553906369 /nfs/dbraw/zinc/90/63/69/553906369.db2.gz QBCDKWWNGLHODA-UHFFFAOYSA-N 0 0 528.650 2.874 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000033086188 553910204 /nfs/dbraw/zinc/91/02/04/553910204.db2.gz PRWVAXKJZQXZIF-GOSISDBHSA-N 0 0 508.044 2.815 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000033086189 553910167 /nfs/dbraw/zinc/91/01/67/553910167.db2.gz PRWVAXKJZQXZIF-SFHVURJKSA-N 0 0 508.044 2.815 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000033086192 553910249 /nfs/dbraw/zinc/91/02/49/553910249.db2.gz PPNLFIJNDZPWGS-OAQYLSRUSA-N 0 0 507.701 2.752 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000033086193 553910251 /nfs/dbraw/zinc/91/02/51/553910251.db2.gz PPNLFIJNDZPWGS-NRFANRHFSA-N 0 0 507.701 2.752 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000033086198 553910216 /nfs/dbraw/zinc/91/02/16/553910216.db2.gz WCWVFSCMTUOKDT-OAQYLSRUSA-N 0 0 501.653 2.779 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000033086199 553910181 /nfs/dbraw/zinc/91/01/81/553910181.db2.gz WCWVFSCMTUOKDT-NRFANRHFSA-N 0 0 501.653 2.779 50 0 KFAARN 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Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000033086209 553910227 /nfs/dbraw/zinc/91/02/27/553910227.db2.gz QSQBFIVXWJIXMN-KRWDZBQOSA-N 0 0 526.034 2.954 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2C)C1 ZINC000033086210 553910209 /nfs/dbraw/zinc/91/02/09/553910209.db2.gz RFZUMVGIKOESFG-LJQANCHMSA-N 0 0 505.616 2.609 50 0 KFAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2C)C1 ZINC000033086211 553910220 /nfs/dbraw/zinc/91/02/20/553910220.db2.gz RFZUMVGIKOESFG-IBGZPJMESA-N 0 0 505.616 2.609 50 0 KFAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccnc2)C1 ZINC000033086212 553910178 /nfs/dbraw/zinc/91/01/78/553910178.db2.gz UJMRSIDIFFUYPF-OAQYLSRUSA-N 0 0 522.631 2.524 50 0 KFAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccnc2)C1 ZINC000033086213 553910233 /nfs/dbraw/zinc/91/02/33/553910233.db2.gz UJMRSIDIFFUYPF-NRFANRHFSA-N 0 0 522.631 2.524 50 0 KFAARN 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O=C(OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000033355132 553933258 /nfs/dbraw/zinc/93/32/58/553933258.db2.gz JJFICUPIRKNFIU-UHCVVMIDSA-N 0 0 574.517 2.881 50 0 biogenic KFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)CCN1S(=O)(=O)c1ccc(I)cc1 ZINC000033355257 553933985 /nfs/dbraw/zinc/93/39/85/553933985.db2.gz LRJDLQRVSDKMMU-CYBMUJFWSA-N 0 0 632.283 2.980 50 0 KFAARN C[C@H]1CN(S(=O)(=O)c2ccc(I)cc2)CCN1S(=O)(=O)c1ccc(I)cc1 ZINC000033355258 553933987 /nfs/dbraw/zinc/93/39/87/553933987.db2.gz LRJDLQRVSDKMMU-ZDUSSCGKSA-N 0 0 632.283 2.980 50 0 KFAARN CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O[C@@H]1n1cc(I)c(=O)[nH]c1=O ZINC000033355336 553934243 /nfs/dbraw/zinc/93/42/43/553934243.db2.gz NRUPRHFQGBCWJJ-AZKZNFPZSA-N 0 0 648.406 2.670 50 0 biogenic,in-vitro KFAARN CCOC(=O)[C@@]12CN(Cc3ccc(OC)cc3)C(=O)[C@@](C(=O)OCC)(CN(Cc3ccc(OC)cc3)C1=O)C2 ZINC000033355433 553934691 /nfs/dbraw/zinc/93/46/91/553934691.db2.gz JBTGJBCBABLXAI-VMPREFPWSA-N 0 0 538.597 2.578 50 0 KFAARN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nc2c1nnn2Cc1ccc2c(c1)OCCO2 ZINC000033355661 553936073 /nfs/dbraw/zinc/93/60/73/553936073.db2.gz PKIKIRVUEMAEKH-MRXNPFEDSA-N 0 0 543.005 2.968 50 0 KFAARN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nc2c1nnn2Cc1ccc2c(c1)OCCO2 ZINC000033355662 553936165 /nfs/dbraw/zinc/93/61/65/553936165.db2.gz PKIKIRVUEMAEKH-INIZCTEOSA-N 0 0 543.005 2.968 50 0 KFAARN O=C(Cn1nnc(-c2ccccc2S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)n1)NC1CCCC1 ZINC000033355672 553936060 /nfs/dbraw/zinc/93/60/60/553936060.db2.gz IWBXTQPNJZABKP-UHFFFAOYSA-N 0 0 552.686 2.520 50 0 KFAARN CCOc1cc(S(=O)(=O)N2CCC(Oc3nnc(-c4cccs4)o3)CC2)c(OCC)cc1-n1cnnn1 ZINC000033355673 553936138 /nfs/dbraw/zinc/93/61/38/553936138.db2.gz JXSFSNJDDCSULP-UHFFFAOYSA-N 0 0 547.619 2.803 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccccc4)n3n2)cc1 ZINC000033355720 553936443 /nfs/dbraw/zinc/93/64/43/553936443.db2.gz QXSKVUJPTSOXFQ-UHFFFAOYSA-N 0 0 540.627 2.553 50 0 KFAARN COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)N5CCN(c6ccc(F)cc6)CC5)n4n3)CC2)c1 ZINC000033355726 553936720 /nfs/dbraw/zinc/93/67/20/553936720.db2.gz XGTWUDDNOPXXTH-UHFFFAOYSA-N 0 0 544.635 2.880 50 0 KFAARN O=C(CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)no1)N1CCCCCC1 ZINC000033355753 553936785 /nfs/dbraw/zinc/93/67/85/553936785.db2.gz AQKGNXKBFPVDGZ-UHFFFAOYSA-N 0 0 546.513 2.735 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3)CC1)C(=O)[C@H]1CCCCN21 ZINC000033355790 553936953 /nfs/dbraw/zinc/93/69/53/553936953.db2.gz XVUHKRUWJMCZIT-RUZDIDTESA-N 0 0 539.702 2.771 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3)CC1)C(=O)[C@@H]1CCCCN21 ZINC000033355791 553936865 /nfs/dbraw/zinc/93/68/65/553936865.db2.gz XVUHKRUWJMCZIT-VWLOTQADSA-N 0 0 539.702 2.771 50 0 KFAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000033355884 553937923 /nfs/dbraw/zinc/93/79/23/553937923.db2.gz DRYJSVHIMMMURJ-UHFFFAOYSA-N 0 0 536.658 2.832 50 0 KFAARN Cc1csc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)nn(CC(=O)N4CCc5ccccc54)c3C)C2)n1 ZINC000033355887 553937875 /nfs/dbraw/zinc/93/78/75/553937875.db2.gz HZAJCXORKLLWEC-HXUWFJFHSA-N 0 0 542.687 2.894 50 0 KFAARN Cc1csc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)nn(CC(=O)N4CCc5ccccc54)c3C)C2)n1 ZINC000033355888 553937872 /nfs/dbraw/zinc/93/78/72/553937872.db2.gz HZAJCXORKLLWEC-FQEVSTJZSA-N 0 0 542.687 2.894 50 0 KFAARN O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c(=O)c2ccccc21)NCc1ccco1 ZINC000033356050 553938617 /nfs/dbraw/zinc/93/86/17/553938617.db2.gz VYMZFZOTJLJEHP-UHFFFAOYSA-N 0 0 566.570 2.780 50 0 KFAARN COCCCNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O ZINC000033356058 553938644 /nfs/dbraw/zinc/93/86/44/553938644.db2.gz DEVAJTCSKZXLBM-UHFFFAOYSA-N 0 0 549.397 2.636 50 0 KFAARN O=C([C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000033356095 553938975 /nfs/dbraw/zinc/93/89/75/553938975.db2.gz AXBDVNKSVAJCJW-GOSISDBHSA-N 0 0 522.450 2.669 50 0 KFAARN O=C([C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000033356096 553938940 /nfs/dbraw/zinc/93/89/40/553938940.db2.gz AXBDVNKSVAJCJW-SFHVURJKSA-N 0 0 522.450 2.669 50 0 KFAARN O=C([C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000033356097 553938921 /nfs/dbraw/zinc/93/89/21/553938921.db2.gz YUQBWGBZWJFETF-HSZRJFAPSA-N 0 0 576.494 2.970 50 0 KFAARN O=C([C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000033356098 553938950 /nfs/dbraw/zinc/93/89/50/553938950.db2.gz YUQBWGBZWJFETF-QHCPKHFHSA-N 0 0 576.494 2.970 50 0 KFAARN O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033356106 553939363 /nfs/dbraw/zinc/93/93/63/553939363.db2.gz FDEFUORINWJUBA-UHFFFAOYSA-N 0 0 556.504 2.984 50 0 KFAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N32)cc1 ZINC000033356248 553939744 /nfs/dbraw/zinc/93/97/44/553939744.db2.gz UZOJVWFTRPXSHQ-QHCPKHFHSA-N 0 0 533.635 2.757 50 0 KFAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](c4ccccc4)C(=O)N32)cc1 ZINC000033356249 553939851 /nfs/dbraw/zinc/93/98/51/553939851.db2.gz UZOJVWFTRPXSHQ-HSZRJFAPSA-N 0 0 533.635 2.757 50 0 KFAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000033356295 553940295 /nfs/dbraw/zinc/94/02/95/553940295.db2.gz ONXZYQIJFCFMMM-DHLKQENFSA-N 0 0 574.707 2.803 50 0 KFAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000033356296 553940272 /nfs/dbraw/zinc/94/02/72/553940272.db2.gz ONXZYQIJFCFMMM-WIOPSUGQSA-N 0 0 574.707 2.803 50 0 KFAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@H]1CCCO1 ZINC000033356297 553940343 /nfs/dbraw/zinc/94/03/43/553940343.db2.gz ONXZYQIJFCFMMM-RDGATRHJSA-N 0 0 574.707 2.803 50 0 KFAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@H]1CCCO1 ZINC000033356298 553940266 /nfs/dbraw/zinc/94/02/66/553940266.db2.gz ONXZYQIJFCFMMM-RCZVLFRGSA-N 0 0 574.707 2.803 50 0 KFAARN COC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)cc(C(=O)OC)c1 ZINC000033356357 553940972 /nfs/dbraw/zinc/94/09/72/553940972.db2.gz KKKCRTZJTQQTMC-HXUWFJFHSA-N 0 0 554.606 2.793 50 0 KFAARN COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)cc(C(=O)OC)c1 ZINC000033356358 553940933 /nfs/dbraw/zinc/94/09/33/553940933.db2.gz KKKCRTZJTQQTMC-FQEVSTJZSA-N 0 0 554.606 2.793 50 0 KFAARN Cc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000033356453 553941772 /nfs/dbraw/zinc/94/17/72/553941772.db2.gz IYEFTRXXYOYBCA-UHFFFAOYSA-N 0 0 521.393 2.585 50 0 KFAARN Cc1cc(C)cc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000033356454 553941748 /nfs/dbraw/zinc/94/17/48/553941748.db2.gz MPJJHBVULKIDFK-UHFFFAOYSA-N 0 0 521.393 2.585 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000033356464 553941679 /nfs/dbraw/zinc/94/16/79/553941679.db2.gz KZADBWDYCYZIOL-AREMUKBSSA-N 0 0 584.670 2.719 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000033356465 553941730 /nfs/dbraw/zinc/94/17/30/553941730.db2.gz KZADBWDYCYZIOL-SANMLTNESA-N 0 0 584.670 2.719 50 0 KFAARN COC(=O)c1ccc(Oc2nc(N3CCOCC3)c(Cl)c3c2N(C[C@@H]2CCCO2)CCS3(=O)=O)cc1 ZINC000033356506 553942053 /nfs/dbraw/zinc/94/20/53/553942053.db2.gz BSPSMGQTNZQHKR-SFHVURJKSA-N 0 0 538.022 2.923 50 0 KFAARN COC(=O)c1ccc(Oc2nc(N3CCOCC3)c(Cl)c3c2N(C[C@H]2CCCO2)CCS3(=O)=O)cc1 ZINC000033356508 553942060 /nfs/dbraw/zinc/94/20/60/553942060.db2.gz BSPSMGQTNZQHKR-GOSISDBHSA-N 0 0 538.022 2.923 50 0 KFAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(CC)cc2)c(=O)n3CC(=O)NC[C@@H]2CCCO2)C1 ZINC000033356558 553942536 /nfs/dbraw/zinc/94/25/36/553942536.db2.gz YZRLTFPYLDHBIK-IBGZPJMESA-N 0 0 540.642 2.586 50 0 KFAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(CC)cc2)c(=O)n3CC(=O)NC[C@H]2CCCO2)C1 ZINC000033356560 553942504 /nfs/dbraw/zinc/94/25/04/553942504.db2.gz YZRLTFPYLDHBIK-LJQANCHMSA-N 0 0 540.642 2.586 50 0 KFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(c4cccc(Cl)c4)CC2)C(=O)CO3)CC1 ZINC000033356577 553942465 /nfs/dbraw/zinc/94/24/65/553942465.db2.gz QXHMQUXWDXRTFA-UHFFFAOYSA-N 0 0 547.077 2.835 50 0 KFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc32)CC1 ZINC000033356593 553942881 /nfs/dbraw/zinc/94/28/81/553942881.db2.gz KYMNTUAAZLTPCR-UHFFFAOYSA-N 0 0 533.050 2.507 50 0 KFAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)cc1Cl ZINC000033356739 553943980 /nfs/dbraw/zinc/94/39/80/553943980.db2.gz KZDOHRHVTCYMSZ-UHFFFAOYSA-N 0 0 590.036 2.851 50 0 KFAARN CCCSCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCSCCC)C2)C1 ZINC000033356744 553944116 /nfs/dbraw/zinc/94/41/16/553944116.db2.gz PPDUJRBNOLKPBE-FGZHOGPDSA-N 0 0 550.857 2.954 50 0 KFAARN CCCSCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCCSCCC)C2)C1 ZINC000033356746 553944109 /nfs/dbraw/zinc/94/41/09/553944109.db2.gz PPDUJRBNOLKPBE-SZPZYZBQSA-N 0 0 550.857 2.954 50 0 KFAARN CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N4CCN(c5cccc(Cl)c5)CC4)c(=O)c3c2)CC1 ZINC000033356790 553944452 /nfs/dbraw/zinc/94/44/52/553944452.db2.gz MOARIHGYLPAYJF-UHFFFAOYSA-N 0 0 544.077 2.819 50 0 KFAARN Cc1sc2ncn(CC(=O)Nc3ccc(C)cc3Cl)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000033356833 553944823 /nfs/dbraw/zinc/94/48/23/553944823.db2.gz ZGBOCXJALRPZOO-UHFFFAOYSA-N 0 0 574.088 2.668 50 0 KFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccco1 ZINC000033356876 553945155 /nfs/dbraw/zinc/94/51/55/553945155.db2.gz LAWFSAQGLPPLSE-NBGIEHNGSA-N 0 0 555.584 2.629 50 0 KFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccco1 ZINC000033356879 553945067 /nfs/dbraw/zinc/94/50/67/553945067.db2.gz LAWFSAQGLPPLSE-CPJSRVTESA-N 0 0 555.584 2.629 50 0 KFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccco1 ZINC000033356881 553945055 /nfs/dbraw/zinc/94/50/55/553945055.db2.gz LAWFSAQGLPPLSE-CJFMBICVSA-N 0 0 555.584 2.629 50 0 KFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccco1 ZINC000033356882 553945158 /nfs/dbraw/zinc/94/51/58/553945158.db2.gz LAWFSAQGLPPLSE-NLFFAJNJSA-N 0 0 555.584 2.629 50 0 KFAARN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000033356885 553945489 /nfs/dbraw/zinc/94/54/89/553945489.db2.gz SIXLIFWDGWPYSE-HFZDXXHNSA-N 0 0 583.688 2.967 50 0 KFAARN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000033356888 553945439 /nfs/dbraw/zinc/94/54/39/553945439.db2.gz SIXLIFWDGWPYSE-LVXARBLLSA-N 0 0 583.688 2.967 50 0 KFAARN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000033356891 553945509 /nfs/dbraw/zinc/94/55/09/553945509.db2.gz SIXLIFWDGWPYSE-QFQXNSOFSA-N 0 0 583.688 2.967 50 0 KFAARN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000033356893 553945477 /nfs/dbraw/zinc/94/54/77/553945477.db2.gz SIXLIFWDGWPYSE-RLWLMLJZSA-N 0 0 583.688 2.967 50 0 KFAARN COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2)c1 ZINC000033356895 553945473 /nfs/dbraw/zinc/94/54/73/553945473.db2.gz ZBJYOHYPZBHRRD-ABYGYWHVSA-N 0 0 607.685 2.914 50 0 KFAARN COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2)c1 ZINC000033356898 553945529 /nfs/dbraw/zinc/94/55/29/553945529.db2.gz ZBJYOHYPZBHRRD-SVEHJYQDSA-N 0 0 607.685 2.914 50 0 KFAARN COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2)c1 ZINC000033356900 553945485 /nfs/dbraw/zinc/94/54/85/553945485.db2.gz ZBJYOHYPZBHRRD-VAVYLYDRSA-N 0 0 607.685 2.914 50 0 KFAARN COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2)c1 ZINC000033356902 553945551 /nfs/dbraw/zinc/94/55/51/553945551.db2.gz ZBJYOHYPZBHRRD-IRPSRAIASA-N 0 0 607.685 2.914 50 0 KFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1Cl)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000033356911 553945500 /nfs/dbraw/zinc/94/55/00/553945500.db2.gz AAPMPJKZWNULAR-HFZDXXHNSA-N 0 0 583.066 2.945 50 0 KFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1Cl)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000033356913 553945524 /nfs/dbraw/zinc/94/55/24/553945524.db2.gz AAPMPJKZWNULAR-LVXARBLLSA-N 0 0 583.066 2.945 50 0 KFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1Cl)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000033356915 553945534 /nfs/dbraw/zinc/94/55/34/553945534.db2.gz AAPMPJKZWNULAR-QFQXNSOFSA-N 0 0 583.066 2.945 50 0 KFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1Cl)[C@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000033356918 553945427 /nfs/dbraw/zinc/94/54/27/553945427.db2.gz AAPMPJKZWNULAR-RLWLMLJZSA-N 0 0 583.066 2.945 50 0 KFAARN Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)OCO2 ZINC000033356945 553945716 /nfs/dbraw/zinc/94/57/16/553945716.db2.gz ZQXLMUZKAJRLFB-HHHXNRCGSA-N 0 0 593.662 2.825 50 0 KFAARN Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)OCO2 ZINC000033356948 553945685 /nfs/dbraw/zinc/94/56/85/553945685.db2.gz ZQXLMUZKAJRLFB-MHZLTWQESA-N 0 0 593.662 2.825 50 0 KFAARN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000033356950 553945734 /nfs/dbraw/zinc/94/57/34/553945734.db2.gz LVFKPXAAIOVGRJ-PWUYWRBVSA-N 0 0 581.637 2.794 50 0 KFAARN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000033356953 553945691 /nfs/dbraw/zinc/94/56/91/553945691.db2.gz LVFKPXAAIOVGRJ-OUTSHDOLSA-N 0 0 581.637 2.794 50 0 KFAARN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000033356956 553945756 /nfs/dbraw/zinc/94/57/56/553945756.db2.gz LVFKPXAAIOVGRJ-FUFSCUOVSA-N 0 0 581.637 2.794 50 0 KFAARN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000033356959 553945694 /nfs/dbraw/zinc/94/56/94/553945694.db2.gz LVFKPXAAIOVGRJ-GIGWZHCTSA-N 0 0 581.637 2.794 50 0 KFAARN COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)ccc1-n1cnnn1 ZINC000033356964 553945738 /nfs/dbraw/zinc/94/57/38/553945738.db2.gz UNNZKLTVZSBKKV-AFMDSPMNSA-N 0 0 573.639 2.547 50 0 KFAARN COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)ccc1-n1cnnn1 ZINC000033356967 553945763 /nfs/dbraw/zinc/94/57/63/553945763.db2.gz UNNZKLTVZSBKKV-SIBVEZHUSA-N 0 0 573.639 2.547 50 0 KFAARN COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)ccc1-n1cnnn1 ZINC000033356970 553945725 /nfs/dbraw/zinc/94/57/25/553945725.db2.gz UNNZKLTVZSBKKV-NIYFSFCBSA-N 0 0 573.639 2.547 50 0 KFAARN COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)ccc1-n1cnnn1 ZINC000033356972 553945695 /nfs/dbraw/zinc/94/56/95/553945695.db2.gz UNNZKLTVZSBKKV-BCHFMIIMSA-N 0 0 573.639 2.547 50 0 KFAARN CCOC(=O)N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 ZINC000033357116 553946704 /nfs/dbraw/zinc/94/67/04/553946704.db2.gz ARSKEZVZLGIVOX-VWNXMTODSA-N 0 0 663.753 2.958 50 0 KFAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N4CCN(c5ccccc5F)CC4)c(=O)c32)CC1 ZINC000033357192 553947077 /nfs/dbraw/zinc/94/70/77/553947077.db2.gz BDORJWHXOZBYGG-UHFFFAOYSA-N 0 0 640.763 2.774 50 0 KFAARN O=C(NCCCN1CCN(c2ccccc2F)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000033357223 553947385 /nfs/dbraw/zinc/94/73/85/553947385.db2.gz VCZCZGXVBJVIPW-UHFFFAOYSA-N 0 0 555.676 2.784 50 0 KFAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3Cc2cc(=O)n3ccccc3n2)C1 ZINC000033357513 553948676 /nfs/dbraw/zinc/94/86/76/553948676.db2.gz FRFXZIOCBXUXHL-UHFFFAOYSA-N 0 0 529.578 2.785 50 0 KFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000033357551 553948911 /nfs/dbraw/zinc/94/89/11/553948911.db2.gz RRKOZKVQPXEBRS-QGZVFWFLSA-N 0 0 531.406 2.783 50 0 KFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000033357553 553948909 /nfs/dbraw/zinc/94/89/09/553948909.db2.gz RRKOZKVQPXEBRS-KRWDZBQOSA-N 0 0 531.406 2.783 50 0 KFAARN Cc1sc2ncn(CC(=O)Nc3ccc(C)cc3Br)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000033357704 553950349 /nfs/dbraw/zinc/95/03/49/553950349.db2.gz LTXIUMVXBNIYOO-UHFFFAOYSA-N 0 0 618.539 2.777 50 0 KFAARN COCCCNC(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)NCc2ccccc2Cl)c1=O ZINC000033357756 553950703 /nfs/dbraw/zinc/95/07/03/553950703.db2.gz ZAQBZBXUIRGZNT-UHFFFAOYSA-N 0 0 535.066 2.908 50 0 KFAARN O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O)NCc1ccco1 ZINC000033357757 553950644 /nfs/dbraw/zinc/95/06/44/553950644.db2.gz BLAJWMDOVWPUPX-UHFFFAOYSA-N 0 0 517.361 2.535 50 0 KFAARN O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)Nc1nccs1 ZINC000033357858 553951420 /nfs/dbraw/zinc/95/14/20/553951420.db2.gz SUBFENXPDITDKV-IRXDYDNUSA-N 0 0 529.644 2.672 50 0 KFAARN O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)Nc1nccs1 ZINC000033357859 553951398 /nfs/dbraw/zinc/95/13/98/553951398.db2.gz SUBFENXPDITDKV-SJORKVTESA-N 0 0 529.644 2.672 50 0 KFAARN O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)Nc1nccs1 ZINC000033357860 553951391 /nfs/dbraw/zinc/95/13/91/553951391.db2.gz SUBFENXPDITDKV-DLBZAZTESA-N 0 0 529.644 2.672 50 0 KFAARN O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)Nc1nccs1 ZINC000033357861 553951442 /nfs/dbraw/zinc/95/14/42/553951442.db2.gz SUBFENXPDITDKV-IAGOWNOFSA-N 0 0 529.644 2.672 50 0 KFAARN CCOC(=O)C(NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1)C(=O)OCC ZINC000033358130 553953099 /nfs/dbraw/zinc/95/30/99/553953099.db2.gz OKNQXHFGGQBNCJ-OFNKIYASSA-N 0 0 676.723 2.975 50 0 biogenic KFAARN O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000033358436 553955695 /nfs/dbraw/zinc/95/56/95/553955695.db2.gz BQXFSUMHJXJZIZ-UHFFFAOYSA-N 0 0 588.752 2.634 50 0 KFAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](NC(=O)c3ccco3)C(C)C)C2=O)cc1OC ZINC000033389539 553958135 /nfs/dbraw/zinc/95/81/35/553958135.db2.gz QOKQNNJXCWEAHA-ACSPXDACSA-N 0 0 501.561 2.904 50 0 KFAARN O=C(NCCc1c[nH]c2ccccc12)c1nnsc1NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033435746 553960133 /nfs/dbraw/zinc/96/01/33/553960133.db2.gz OJQHBTZVDGDXKY-WBVHZDCISA-N 0 0 503.588 2.805 50 0 KFAARN O=C(Nc1snnc1C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000033436174 553960362 /nfs/dbraw/zinc/96/03/62/553960362.db2.gz AOLNZWSDGKAAGB-UHFFFAOYSA-N 0 0 505.648 2.846 50 0 KFAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(NS(=O)(=O)/C=C\c3ccccc3)c2)cc1 ZINC000033524183 1059453255 /nfs/dbraw/zinc/45/32/55/1059453255.db2.gz MARQPAHAVLUAGA-YPKPFQOOSA-N 0 0 515.569 2.542 50 0 KFAARN COc1cc(/C=C\C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc(OC)c1OC ZINC000033579416 1059454367 /nfs/dbraw/zinc/45/43/67/1059454367.db2.gz MGMMHFVYMJBHOV-TWGQIWQCSA-N 0 0 531.631 2.985 50 0 KFAARN CCCN(CC(=O)Nc1nc(CC(=O)NCCCN2CCOCC2)cs1)C(=O)c1ccc(Cl)cc1 ZINC000033580968 553963113 /nfs/dbraw/zinc/96/31/13/553963113.db2.gz PJOLEXCJFNORCP-UHFFFAOYSA-N 0 0 522.071 2.668 50 0 KFAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc2sc3c(c21)CCC3 ZINC000033590612 553963544 /nfs/dbraw/zinc/96/35/44/553963544.db2.gz FJRSWLJVDVTJQR-UHFFFAOYSA-N 0 0 509.451 2.742 50 0 KFAARN COc1ccc(/C=C\C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000033613804 1059454299 /nfs/dbraw/zinc/45/42/99/1059454299.db2.gz ISOPBXSSACDUNQ-CLTKARDFSA-N 0 0 512.943 2.704 50 0 KFAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000033633331 1059454350 /nfs/dbraw/zinc/45/43/50/1059454350.db2.gz GIBLWHDVLIFQBD-SSUIOBEFSA-N 0 0 505.593 2.981 50 0 KFAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)Nc1ncc(Cl)cc1Cl ZINC000033654799 1059454253 /nfs/dbraw/zinc/45/42/53/1059454253.db2.gz MDSHNGULELWHSC-UTCJRWHESA-N 0 0 500.360 2.604 50 0 KFAARN O=C(COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2)N[C@@H]1CCS(=O)(=O)C1 ZINC000033707447 553969448 /nfs/dbraw/zinc/96/94/48/553969448.db2.gz DHKOKBJLEIPRHU-UWKDKTGGSA-N 0 0 520.563 2.910 50 0 KFAARN O=C(COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2)N[C@H]1CCS(=O)(=O)C1 ZINC000033707449 553969534 /nfs/dbraw/zinc/96/95/34/553969534.db2.gz DHKOKBJLEIPRHU-PNDHZVEESA-N 0 0 520.563 2.910 50 0 KFAARN NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C=CC(=O)OCC(=O)c3ccccc3)cc2)c1 ZINC000033733364 1059454326 /nfs/dbraw/zinc/45/43/26/1059454326.db2.gz HQKBYBSRDVXFRB-KAMYIIQDSA-N 0 0 500.554 2.574 50 0 KFAARN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000033749071 553971876 /nfs/dbraw/zinc/97/18/76/553971876.db2.gz ACKCYGFTOUKEJR-CMCWBKRRSA-N 0 0 510.344 2.806 50 0 biogenic KFAARN COc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000033880480 1059454278 /nfs/dbraw/zinc/45/42/78/1059454278.db2.gz YEABQCMPPCNTLU-CLTKARDFSA-N 0 0 522.023 2.858 50 0 KFAARN CCOC(=O)C1=c2s/c(=C/c3ccc(C)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(C)cc1 ZINC000034366973 553981407 /nfs/dbraw/zinc/98/14/07/553981407.db2.gz XKLBQSKELPQYFC-MEPUESOJSA-N 0 0 504.608 2.557 50 0 KFAARN CCOC(=O)C1=c2s/c(=C/c3ccc(C)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(C)cc1 ZINC000034366974 553981541 /nfs/dbraw/zinc/98/15/41/553981541.db2.gz XKLBQSKELPQYFC-LSSXRZCCSA-N 0 0 504.608 2.557 50 0 KFAARN O=C(NCCc1ccccn1)c1csc(CN(CCN2CCOCC2)Cc2ccc3c(c2)OCO3)n1 ZINC000034670205 553982380 /nfs/dbraw/zinc/98/23/80/553982380.db2.gz VFYLICYIRCEFGS-UHFFFAOYSA-N 0 0 509.632 2.574 50 0 KFAARN CCN1CCN(C(=O)CCN(CC(C)C)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1 ZINC000034676313 553983047 /nfs/dbraw/zinc/98/30/47/553983047.db2.gz OOKHSKNJNJAXSK-UHFFFAOYSA-N 0 0 508.667 2.582 50 0 KFAARN COc1ccc(C(=O)N2CCc3nc(N4CCN(c5ccccc5)CC4)nc(N4CCN(C)CC4)c3C2)cc1 ZINC000034676770 553983022 /nfs/dbraw/zinc/98/30/22/553983022.db2.gz INKRDMYQEOZMGV-UHFFFAOYSA-N 0 0 527.673 2.762 50 0 KFAARN CC1CCN(c2nc(N3CCN(C)CC3)nc3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)CC1 ZINC000034676874 553983187 /nfs/dbraw/zinc/98/31/87/553983187.db2.gz DLLJBYATSFPKEH-UHFFFAOYSA-N 0 0 505.088 2.865 50 0 KFAARN COc1ccccc1CCNC(=O)c1coc(CN2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)n1 ZINC000034677602 553983121 /nfs/dbraw/zinc/98/31/21/553983121.db2.gz ZYJFMBBAVMPOCE-QFIPXVFZSA-N 0 0 529.037 2.867 50 0 KFAARN COc1ccccc1CCNC(=O)c1coc(CN2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)n1 ZINC000034677603 553983338 /nfs/dbraw/zinc/98/33/38/553983338.db2.gz ZYJFMBBAVMPOCE-JOCHJYFZSA-N 0 0 529.037 2.867 50 0 KFAARN Cc1cccc(C)c1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)COC(C)(C)C)CC3)n2)CC1 ZINC000034677778 553983675 /nfs/dbraw/zinc/98/36/75/553983675.db2.gz MDYYADREUIDIMD-QHCPKHFHSA-N 0 0 513.683 2.547 50 0 KFAARN Cc1cccc(C)c1N1CCN(C(=O)c2coc(CN3CCN(C[C@@H](O)COC(C)(C)C)CC3)n2)CC1 ZINC000034677779 553983715 /nfs/dbraw/zinc/98/37/15/553983715.db2.gz MDYYADREUIDIMD-HSZRJFAPSA-N 0 0 513.683 2.547 50 0 KFAARN CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)Cc4ccccc4)CC3)n2)CC1 ZINC000034677790 553983621 /nfs/dbraw/zinc/98/36/21/553983621.db2.gz VBUJVWRPKMPLHE-AREMUKBSSA-N 0 0 517.674 2.921 50 0 KFAARN CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@@H](O)Cc4ccccc4)CC3)n2)CC1 ZINC000034677791 553983588 /nfs/dbraw/zinc/98/35/88/553983588.db2.gz VBUJVWRPKMPLHE-SANMLTNESA-N 0 0 517.674 2.921 50 0 KFAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CN(C(=O)c3cnc4ccccc4n3)CCO2)CC1 ZINC000034685995 553988066 /nfs/dbraw/zinc/98/80/66/553988066.db2.gz ORKCZFKJFCBTAI-HXUWFJFHSA-N 0 0 513.520 2.948 50 0 KFAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C[C@H]2CN(C(=O)c3cnc4ccccc4n3)CCO2)CC1 ZINC000034685996 553987963 /nfs/dbraw/zinc/98/79/63/553987963.db2.gz ORKCZFKJFCBTAI-FQEVSTJZSA-N 0 0 513.520 2.948 50 0 KFAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000034686203 553987994 /nfs/dbraw/zinc/98/79/94/553987994.db2.gz ONRBUVOQDJSCEA-VWLOTQADSA-N 0 0 516.038 2.729 50 0 KFAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000034686204 553988176 /nfs/dbraw/zinc/98/81/76/553988176.db2.gz ONRBUVOQDJSCEA-RUZDIDTESA-N 0 0 516.038 2.729 50 0 KFAARN COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C[C@H](O)COc3ccccc3)CCO2)cc(OC)c1OC ZINC000034691305 553989140 /nfs/dbraw/zinc/98/91/40/553989140.db2.gz BDQGVJUWTRTLQF-UPVQGACJSA-N 0 0 516.635 2.951 50 0 KFAARN COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@H](O)COc3ccccc3)CCO2)cc(OC)c1OC ZINC000034691306 553989505 /nfs/dbraw/zinc/98/95/05/553989505.db2.gz BDQGVJUWTRTLQF-LADGPHEKSA-N 0 0 516.635 2.951 50 0 KFAARN COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C[C@H](O)COCc3ccco3)CCO2)cc(OC)c1OC ZINC000034691311 553989687 /nfs/dbraw/zinc/98/96/87/553989687.db2.gz NVYRMZRUCRQFGL-GMAHTHKFSA-N 0 0 520.623 2.682 50 0 KFAARN COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@H](O)COCc3ccco3)CCO2)cc(OC)c1OC ZINC000034691312 553989640 /nfs/dbraw/zinc/98/96/40/553989640.db2.gz NVYRMZRUCRQFGL-JTHBVZDNSA-N 0 0 520.623 2.682 50 0 KFAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000034691641 553989569 /nfs/dbraw/zinc/98/95/69/553989569.db2.gz LODIJPPDFWAUAA-BDYUSTAISA-N 0 0 532.081 2.564 50 0 KFAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000034691642 553989739 /nfs/dbraw/zinc/98/97/39/553989739.db2.gz LODIJPPDFWAUAA-AHKZPQOWSA-N 0 0 532.081 2.564 50 0 KFAARN COc1cc(C(=O)N2CCN(C[C@@H]3CN(Cc4cccc(F)c4F)CCO3)CC2)cc(OC)c1OC ZINC000034691803 553989714 /nfs/dbraw/zinc/98/97/14/553989714.db2.gz VTOLJYSDUIYJHW-HXUWFJFHSA-N 0 0 505.562 2.649 50 0 KFAARN COc1ccc(CN2CCO[C@H](CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)C2)cc1OC ZINC000034691903 553989520 /nfs/dbraw/zinc/98/95/20/553989520.db2.gz UZMXQRHQKNUCIG-DEOSSOPVSA-N 0 0 501.599 2.518 50 0 KFAARN COc1ccc(CN2CCO[C@@H](CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)C2)cc1OC ZINC000034691904 553989584 /nfs/dbraw/zinc/98/95/84/553989584.db2.gz UZMXQRHQKNUCIG-XMMPIXPASA-N 0 0 501.599 2.518 50 0 KFAARN O=C(c1ccc2c(c1)OCO2)N1CCCN(C[C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)CC1 ZINC000034692039 553990089 /nfs/dbraw/zinc/99/00/89/553990089.db2.gz USNXFNVEQGMAIT-OAQYLSRUSA-N 0 0 500.596 2.800 50 0 KFAARN O=C(c1ccc2c(c1)OCO2)N1CCCN(C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)CC1 ZINC000034692040 553989885 /nfs/dbraw/zinc/98/98/85/553989885.db2.gz USNXFNVEQGMAIT-NRFANRHFSA-N 0 0 500.596 2.800 50 0 KFAARN O=C(c1ccc(F)cc1)N(CCN1CCOCC1)C[C@@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692045 553990024 /nfs/dbraw/zinc/99/00/24/553990024.db2.gz IXLXGHCDZLQZGY-HSZRJFAPSA-N 0 0 504.603 2.837 50 0 KFAARN O=C(c1ccc(F)cc1)N(CCN1CCOCC1)C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692046 553989961 /nfs/dbraw/zinc/98/99/61/553989961.db2.gz IXLXGHCDZLQZGY-QHCPKHFHSA-N 0 0 504.603 2.837 50 0 KFAARN COc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)cc1 ZINC000034692049 553989905 /nfs/dbraw/zinc/98/99/05/553989905.db2.gz LCTNTAQMMFGLNA-XMMPIXPASA-N 0 0 516.639 2.707 50 0 KFAARN COc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)cc1 ZINC000034692050 553989897 /nfs/dbraw/zinc/98/98/97/553989897.db2.gz LCTNTAQMMFGLNA-DEOSSOPVSA-N 0 0 516.639 2.707 50 0 KFAARN O=C(c1ccccc1F)N(CCN1CCOCC1)C[C@@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692055 553990079 /nfs/dbraw/zinc/99/00/79/553990079.db2.gz CJCHFSGBSMKARS-OAQYLSRUSA-N 0 0 504.603 2.837 50 0 KFAARN O=C(c1ccccc1F)N(CCN1CCOCC1)C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692056 553990036 /nfs/dbraw/zinc/99/00/36/553990036.db2.gz CJCHFSGBSMKARS-NRFANRHFSA-N 0 0 504.603 2.837 50 0 KFAARN O=C(c1cccc(F)c1)N(CCN1CCOCC1)C[C@@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692057 553990084 /nfs/dbraw/zinc/99/00/84/553990084.db2.gz ASPNLWWGFRSLHM-HSZRJFAPSA-N 0 0 504.603 2.837 50 0 KFAARN O=C(c1cccc(F)c1)N(CCN1CCOCC1)C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692058 553990051 /nfs/dbraw/zinc/99/00/51/553990051.db2.gz ASPNLWWGFRSLHM-QHCPKHFHSA-N 0 0 504.603 2.837 50 0 KFAARN O=C(Cc1ccccc1)N(CCN1CCOCC1)C[C@@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692059 553989985 /nfs/dbraw/zinc/98/99/85/553989985.db2.gz VRJZLDKAHBHCBB-XMMPIXPASA-N 0 0 500.640 2.627 50 0 KFAARN O=C(Cc1ccccc1)N(CCN1CCOCC1)C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692060 553989926 /nfs/dbraw/zinc/98/99/26/553989926.db2.gz VRJZLDKAHBHCBB-DEOSSOPVSA-N 0 0 500.640 2.627 50 0 KFAARN COc1cccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)c1 ZINC000034692061 553990057 /nfs/dbraw/zinc/99/00/57/553990057.db2.gz LPSYNWIEBWOUBT-XMMPIXPASA-N 0 0 516.639 2.707 50 0 KFAARN COc1cccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)c1 ZINC000034692062 553989979 /nfs/dbraw/zinc/98/99/79/553989979.db2.gz LPSYNWIEBWOUBT-DEOSSOPVSA-N 0 0 516.639 2.707 50 0 KFAARN O=C(Cc1ccccc1)N(CCN1CCOCC1)C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1 ZINC000034692259 553990490 /nfs/dbraw/zinc/99/04/90/553990490.db2.gz CXAQCMKQQZMFSV-XMMPIXPASA-N 0 0 501.027 2.976 50 0 KFAARN O=C(Cc1ccccc1)N(CCN1CCOCC1)C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1 ZINC000034692260 553990310 /nfs/dbraw/zinc/99/03/10/553990310.db2.gz CXAQCMKQQZMFSV-DEOSSOPVSA-N 0 0 501.027 2.976 50 0 KFAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1 ZINC000034703125 553993156 /nfs/dbraw/zinc/99/31/56/553993156.db2.gz WVJLTRBKRFFKEU-UHFFFAOYSA-N 0 0 501.624 2.747 50 0 KFAARN O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2c(F)cccc2F)CC1)c1ccc2c(c1)OCO2 ZINC000034716893 553995615 /nfs/dbraw/zinc/99/56/15/553995615.db2.gz HFRAOHUBBXPBPG-UHFFFAOYSA-N 0 0 509.469 2.770 50 0 KFAARN Cc1ccc(C(=O)NCCN2CCOCC2)c(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000034723806 553996470 /nfs/dbraw/zinc/99/64/70/553996470.db2.gz BCBYZDKSTLQFDJ-UHFFFAOYSA-N 0 0 501.027 2.890 50 0 KFAARN COCCN1CCN(C(=O)c2ccc(C)nc2C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 ZINC000034729623 553997441 /nfs/dbraw/zinc/99/74/41/553997441.db2.gz DULUKQRGMBODDN-UHFFFAOYSA-N 0 0 510.635 2.831 50 0 KFAARN COc1cccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(S(=O)(=O)c2ccc(F)cc2)CC3)c1 ZINC000034756828 553999759 /nfs/dbraw/zinc/99/97/59/553999759.db2.gz LZUIZYHNQGSTOK-UHFFFAOYSA-N 0 0 513.595 2.915 50 0 KFAARN COc1ccccc1Oc1nc(N2CCN(C)CC2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000034756888 553999779 /nfs/dbraw/zinc/99/97/79/553999779.db2.gz SYOIJNMVAQPPRD-UHFFFAOYSA-N 0 0 513.595 2.915 50 0 KFAARN CN1C2=C(C(=O)N(CC(=O)N3CCN(c4ccccn4)CC3)C2)[C@@H](c2ccc(C(C)(C)C)cc2)NC1=O ZINC000034792585 554008075 /nfs/dbraw/zinc/00/80/75/554008075.db2.gz MGSWLZNCCWHBMX-RUZDIDTESA-N 0 0 502.619 2.520 50 0 KFAARN CN1C2=C(C(=O)N(CC(=O)N3CCN(c4ccccn4)CC3)C2)[C@H](c2ccc(C(C)(C)C)cc2)NC1=O ZINC000034792587 554008061 /nfs/dbraw/zinc/00/80/61/554008061.db2.gz MGSWLZNCCWHBMX-VWLOTQADSA-N 0 0 502.619 2.520 50 0 KFAARN CCOc1ccccc1N1CCN(C(=O)CN2CC3=C(C2=O)[C@H](c2ccccc2Cl)NC(=O)N3C)CC1 ZINC000034792874 554008330 /nfs/dbraw/zinc/00/83/30/554008330.db2.gz LIVPQKWIZWFHGJ-VWLOTQADSA-N 0 0 524.021 2.880 50 0 KFAARN CCOc1ccccc1N1CCN(C(=O)CN2CC3=C(C2=O)[C@@H](c2ccccc2Cl)NC(=O)N3C)CC1 ZINC000034792876 554008320 /nfs/dbraw/zinc/00/83/20/554008320.db2.gz LIVPQKWIZWFHGJ-RUZDIDTESA-N 0 0 524.021 2.880 50 0 KFAARN Cc1ccc(CN2CCN(C(=O)CN3CC4=C(C3=O)[C@H](c3ccccc3Cl)NC(=O)N4C)CC2)cc1 ZINC000034792918 554008284 /nfs/dbraw/zinc/00/82/84/554008284.db2.gz RVOKGKBLFXGCMG-VWLOTQADSA-N 0 0 508.022 2.785 50 0 KFAARN Cc1ccc(CN2CCN(C(=O)CN3CC4=C(C3=O)[C@@H](c3ccccc3Cl)NC(=O)N4C)CC2)cc1 ZINC000034792921 554008322 /nfs/dbraw/zinc/00/83/22/554008322.db2.gz RVOKGKBLFXGCMG-RUZDIDTESA-N 0 0 508.022 2.785 50 0 KFAARN COc1ccc(OC)c(CC(=O)N2CCc3[nH]nc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3C2)c1 ZINC000034797397 554008821 /nfs/dbraw/zinc/00/88/21/554008821.db2.gz DTGUHVNOCMJDBA-UHFFFAOYSA-N 0 0 507.566 2.656 50 0 KFAARN CC[N@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)C[C@H](O)CN(CCc1ccccc1)S(=O)(=O)[O-] ZINC000034805107 554009183 /nfs/dbraw/zinc/00/91/83/554009183.db2.gz HJVDSESDCWSWKY-ZEQRLZLVSA-N 0 0 508.681 2.754 50 0 KFAARN COc1ccc(OC)c(CC(=O)N2CCc3[nH]nc(C(=O)N4CCN(c5ccccc5C)CC4)c3C2)c1 ZINC000034809697 554009344 /nfs/dbraw/zinc/00/93/44/554009344.db2.gz HIPPMRJNDMCMGO-UHFFFAOYSA-N 0 0 503.603 2.825 50 0 KFAARN COc1cc(CN2CCn3nc(C(=O)N(C)CCc4ccc(OC)c(OC)c4)cc3C2=O)cc(OC)c1 ZINC000034811351 554010521 /nfs/dbraw/zinc/01/05/21/554010521.db2.gz HKILOFMJETVKIL-UHFFFAOYSA-N 0 0 508.575 2.888 50 0 KFAARN COc1ccc(CN2CCn3nc(C(=O)N4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3C2=O)cc1 ZINC000034811510 554010507 /nfs/dbraw/zinc/01/05/07/554010507.db2.gz BELWMRQFFXNNON-UHFFFAOYSA-N 0 0 500.559 2.668 50 0 KFAARN O=C(c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000034830681 554016544 /nfs/dbraw/zinc/01/65/44/554016544.db2.gz RSOSTUUVOAXBCF-UHFFFAOYSA-N 0 0 501.465 2.749 50 0 KFAARN O=C(c1cc2n(n1)CCN(Cc1cccc(C(F)(F)F)c1)C2=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000034830816 554016560 /nfs/dbraw/zinc/01/65/60/554016560.db2.gz YIBPHQBRPVFZFO-UHFFFAOYSA-N 0 0 501.465 2.749 50 0 KFAARN COc1ccc(Nc2nc(C(=O)N3CCN(CC(=O)NCc4ccc5c(c4)OCO5)CC3)cs2)cc1 ZINC000034831492 554017258 /nfs/dbraw/zinc/01/72/58/554017258.db2.gz PFUDNUOBZJJCOJ-UHFFFAOYSA-N 0 0 509.588 2.698 50 0 KFAARN COc1ccc(OC)c(CC(=O)N2CCc3n[nH]c(C(=O)NCCc4ccc(OC)c(OC)c4)c3C2)c1 ZINC000034831906 554017591 /nfs/dbraw/zinc/01/75/91/554017591.db2.gz CAADHKTUFZYYAK-UHFFFAOYSA-N 0 0 508.575 2.544 50 0 KFAARN COc1ccc(CCNC(=O)c2[nH]nc3c2CN(C(=O)Cc2ccc(OC)c(OC)c2)CC3)cc1OC ZINC000034831907 554017613 /nfs/dbraw/zinc/01/76/13/554017613.db2.gz IAOXRWQVJPFYEX-UHFFFAOYSA-N 0 0 508.575 2.544 50 0 biogenic KFAARN O=C(c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000034837590 554020809 /nfs/dbraw/zinc/02/08/09/554020809.db2.gz XKJHAEMWVVQPJV-DEOSSOPVSA-N 0 0 518.593 2.559 50 0 KFAARN O=C(c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc21)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000034837593 554020797 /nfs/dbraw/zinc/02/07/97/554020797.db2.gz XKJHAEMWVVQPJV-XMMPIXPASA-N 0 0 518.593 2.559 50 0 KFAARN COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)NCCN3CCOCC3)c3ccccc32)CC1 ZINC000034838998 554020770 /nfs/dbraw/zinc/02/07/70/554020770.db2.gz LAMHJUFKJQSIBE-UHFFFAOYSA-N 0 0 511.026 2.680 50 0 KFAARN COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)N3CCN(C(C)=O)CC3)c3ccccc32)CC1 ZINC000034839033 554020736 /nfs/dbraw/zinc/02/07/36/554020736.db2.gz LCENFNHZPKRLRG-UHFFFAOYSA-N 0 0 509.010 2.923 50 0 KFAARN CCn1c(=O)c(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000034850691 554021364 /nfs/dbraw/zinc/02/13/64/554021364.db2.gz KKYVNGPMWDXOPX-UHFFFAOYSA-N 0 0 515.536 2.684 50 0 KFAARN COc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1 ZINC000034871784 554022638 /nfs/dbraw/zinc/02/26/38/554022638.db2.gz WKVBFTMFJQHDRV-UHFFFAOYSA-N 0 0 505.600 2.858 50 0 KFAARN O=c1cc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)nc2sc(-c3ccccc3Cl)nn21 ZINC000034871821 554022570 /nfs/dbraw/zinc/02/25/70/554022570.db2.gz VWQUHJVKFNDRCX-UHFFFAOYSA-N 0 0 502.021 2.978 50 0 KFAARN COc1ccccc1-c1nn2c(nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2=O)s1 ZINC000034871831 554022640 /nfs/dbraw/zinc/02/26/40/554022640.db2.gz ZNPDSFUXHORSLX-UHFFFAOYSA-N 0 0 511.629 2.642 50 0 KFAARN COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccccc5C)CC4)cc3=O)s2)c1 ZINC000034871833 554022620 /nfs/dbraw/zinc/02/26/20/554022620.db2.gz BUHPJOKYYZCWGO-UHFFFAOYSA-N 0 0 505.600 2.858 50 0 KFAARN COc1cccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)cc3=O)s2)c1 ZINC000034871837 554022636 /nfs/dbraw/zinc/02/26/36/554022636.db2.gz UCAYVZKFNLNLPY-UHFFFAOYSA-N 0 0 511.629 2.642 50 0 KFAARN COc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(OC)cc5)sc4n3)CC2)cc1 ZINC000034871838 554022611 /nfs/dbraw/zinc/02/26/11/554022611.db2.gz LZEYLYHDGWTYJO-UHFFFAOYSA-N 0 0 521.599 2.558 50 0 KFAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccc(F)cc5)CC4)cc3=O)s2)cc1 ZINC000034871840 554022645 /nfs/dbraw/zinc/02/26/45/554022645.db2.gz XWROFYMQYCYOTF-UHFFFAOYSA-N 0 0 509.563 2.689 50 0 KFAARN COc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)cc3=O)s2)cc1 ZINC000034871844 554022650 /nfs/dbraw/zinc/02/26/50/554022650.db2.gz VXPGLAKIKQPRQH-UHFFFAOYSA-N 0 0 511.629 2.642 50 0 KFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)C2)cc1 ZINC000034899501 554024205 /nfs/dbraw/zinc/02/42/05/554024205.db2.gz BSLFYUFDIMAMFA-FTBPSBKWSA-N 0 0 526.659 2.903 50 0 KFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)C2)cc1 ZINC000034899502 554024241 /nfs/dbraw/zinc/02/42/41/554024241.db2.gz BSLFYUFDIMAMFA-NQHRYMMQSA-N 0 0 526.659 2.903 50 0 KFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)CC2)cc1 ZINC000034900335 554024744 /nfs/dbraw/zinc/02/47/44/554024744.db2.gz AWLHNHKASMPFIE-JWQCQUIFSA-N 0 0 526.659 2.903 50 0 KFAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)COC)CC1)CC1CCCCC1 ZINC000034909661 554028004 /nfs/dbraw/zinc/02/80/04/554028004.db2.gz OMNSUXLVBQCTMS-UHFFFAOYSA-N 0 0 537.723 2.893 50 0 KFAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(C)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000034909670 554027956 /nfs/dbraw/zinc/02/79/56/554027956.db2.gz HUZMQFLCRQXMRC-UHFFFAOYSA-N 0 0 501.649 2.672 50 0 KFAARN CCNC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CCOC)S(=O)(=O)c2ccccc2)CC1 ZINC000034909705 554028257 /nfs/dbraw/zinc/02/82/57/554028257.db2.gz XGGAAQMIGPSIBV-UHFFFAOYSA-N 0 0 530.691 2.855 50 0 KFAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(S(C)(=O)=O)CC1 ZINC000034909714 554028270 /nfs/dbraw/zinc/02/82/70/554028270.db2.gz XFQHHIRWHDGOLN-UHFFFAOYSA-N 0 0 515.742 2.836 50 0 KFAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)CC)CC1 ZINC000034909716 554028268 /nfs/dbraw/zinc/02/82/68/554028268.db2.gz IVFOYBOWWLDBPF-UHFFFAOYSA-N 0 0 502.077 2.758 50 0 KFAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)C2CC2)CC1 ZINC000034909728 554028265 /nfs/dbraw/zinc/02/82/65/554028265.db2.gz OECWXPSGKBYAFY-UHFFFAOYSA-N 0 0 514.088 2.758 50 0 KFAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)N(C)C)CC1 ZINC000034909734 554028246 /nfs/dbraw/zinc/02/82/46/554028246.db2.gz LXSLXNMMRFADMG-UHFFFAOYSA-N 0 0 517.092 2.503 50 0 KFAARN COCC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000034909811 554028466 /nfs/dbraw/zinc/02/84/66/554028466.db2.gz WARADAIFXUZLDC-UHFFFAOYSA-N 0 0 531.650 2.953 50 0 KFAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)COC)CC1)S(=O)(=O)c1ccccc1 ZINC000034909831 554028491 /nfs/dbraw/zinc/02/84/91/554028491.db2.gz HDGBERCSJYTJQQ-UHFFFAOYSA-N 0 0 519.639 2.893 50 0 KFAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)NCC)CC1 ZINC000034909832 554028462 /nfs/dbraw/zinc/02/84/62/554028462.db2.gz UADFYDVUZOLZNY-UHFFFAOYSA-N 0 0 517.092 2.551 50 0 KFAARN CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(S(=O)(=O)CC)CC1)CC(C)C ZINC000034909849 554028429 /nfs/dbraw/zinc/02/84/29/554028429.db2.gz UKNJQBOSSUHAHJ-UHFFFAOYSA-N 0 0 501.715 2.527 50 0 KFAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000034909853 554028446 /nfs/dbraw/zinc/02/84/46/554028446.db2.gz JPCPPEPIZXFPBF-UHFFFAOYSA-N 0 0 525.668 2.679 50 0 KFAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)COC)CC1)S(=O)(=O)c1ccccc1 ZINC000034909855 554028451 /nfs/dbraw/zinc/02/84/51/554028451.db2.gz TWEAADIWVRFDIF-UHFFFAOYSA-N 0 0 531.675 2.762 50 0 KFAARN CCOC(=O)CCC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CC(C)C)S(=O)(=O)CC)CC1 ZINC000034909926 554028647 /nfs/dbraw/zinc/02/86/47/554028647.db2.gz UUMMQEHQHOZTDO-UHFFFAOYSA-N 0 0 537.723 2.966 50 0 KFAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)COC)CC1)S(=O)(=O)c1ccccc1 ZINC000034910158 554028929 /nfs/dbraw/zinc/02/89/29/554028929.db2.gz DCXFXGZJVLFJIM-UHFFFAOYSA-N 0 0 501.649 2.754 50 0 KFAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)CC)CC1 ZINC000034910200 554028937 /nfs/dbraw/zinc/02/89/37/554028937.db2.gz JYIXXPMPQXCCJZ-UHFFFAOYSA-N 0 0 502.077 2.758 50 0 KFAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)C2CC2)CC1 ZINC000034910207 554028999 /nfs/dbraw/zinc/02/89/99/554028999.db2.gz LILADDKPIVNXTF-UHFFFAOYSA-N 0 0 514.088 2.758 50 0 KFAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000034910234 554029001 /nfs/dbraw/zinc/02/90/01/554029001.db2.gz VLKSXMAOMHEBTM-UHFFFAOYSA-N 0 0 513.676 2.880 50 0 KFAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000034910236 554028949 /nfs/dbraw/zinc/02/89/49/554028949.db2.gz SIIWLDFFPHXNQT-UHFFFAOYSA-N 0 0 511.660 2.634 50 0 KFAARN CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)CCC(=O)OCC)CC1)S(=O)(=O)CC ZINC000034910285 554029223 /nfs/dbraw/zinc/02/92/23/554029223.db2.gz YWTDJJNEOLDZEO-UHFFFAOYSA-N 0 0 523.696 2.720 50 0 KFAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000034910308 554029179 /nfs/dbraw/zinc/02/91/79/554029179.db2.gz VKGDHKOVWCWWMQ-UHFFFAOYSA-N 0 0 540.702 2.959 50 0 KFAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(S(=O)(=O)CC)CC1)S(=O)(=O)c1ccccc1 ZINC000034910323 554029169 /nfs/dbraw/zinc/02/91/69/554029169.db2.gz WQYYERDZYMTRBV-UHFFFAOYSA-N 0 0 521.705 2.930 50 0 KFAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000034910326 554029212 /nfs/dbraw/zinc/02/92/12/554029212.db2.gz CPACLJITWVQEQG-UHFFFAOYSA-N 0 0 507.678 2.540 50 0 KFAARN CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1N1CCC(C(N)=O)CC1 ZINC000034919886 554031338 /nfs/dbraw/zinc/03/13/38/554031338.db2.gz DVOYNCWVIUAQJH-MRXNPFEDSA-N 0 0 518.636 2.735 50 0 KFAARN CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1N1CCC(C(N)=O)CC1 ZINC000034919888 554031399 /nfs/dbraw/zinc/03/13/99/554031399.db2.gz DVOYNCWVIUAQJH-INIZCTEOSA-N 0 0 518.636 2.735 50 0 KFAARN CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2c(OC)cccc2OC)ccc1N1CCC(C(N)=O)CC1 ZINC000034919899 554031328 /nfs/dbraw/zinc/03/13/28/554031328.db2.gz NLUDCUXENARZCA-MRXNPFEDSA-N 0 0 518.636 2.735 50 0 KFAARN CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2c(OC)cccc2OC)ccc1N1CCC(C(N)=O)CC1 ZINC000034919902 554031370 /nfs/dbraw/zinc/03/13/70/554031370.db2.gz NLUDCUXENARZCA-INIZCTEOSA-N 0 0 518.636 2.735 50 0 KFAARN CC(C)C(=O)N1CCC2(CC1)OC[C@@H](C(=O)N1CCN(c3ccccc3F)CC1)N2C(=O)c1ccccc1 ZINC000034920426 554031402 /nfs/dbraw/zinc/03/14/02/554031402.db2.gz IDHPSDHGXKAONR-VWLOTQADSA-N 0 0 522.621 2.990 50 0 KFAARN CC(C)C(=O)N1CCC2(CC1)OC[C@H](C(=O)N1CCN(c3ccccc3F)CC1)N2C(=O)c1ccccc1 ZINC000034920429 554031363 /nfs/dbraw/zinc/03/13/63/554031363.db2.gz IDHPSDHGXKAONR-RUZDIDTESA-N 0 0 522.621 2.990 50 0 KFAARN CCN1CCN(C(=O)c2c(-c3ccccc3)n(Cc3cccs3)c(=O)n2CCN2CCOCC2)CC1 ZINC000034924206 554032465 /nfs/dbraw/zinc/03/24/65/554032465.db2.gz FPZCUOIOGFZNIF-UHFFFAOYSA-N 0 0 509.676 2.537 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000034942164 554033206 /nfs/dbraw/zinc/03/32/06/554033206.db2.gz KYYVKCPDBFJTFO-PZDOZLBDSA-N 0 0 512.971 2.996 50 0 KFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000034942168 554033226 /nfs/dbraw/zinc/03/32/26/554033226.db2.gz KYYVKCPDBFJTFO-FNUHDPNESA-N 0 0 512.971 2.996 50 0 KFAARN CCOc1ccc(S(=O)(=O)NCCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 ZINC000035078726 554034073 /nfs/dbraw/zinc/03/40/73/554034073.db2.gz CLFQCAPNGURHDT-CAPFRKAQSA-N 0 0 503.602 2.606 50 0 KFAARN COc1ccc(/C=C\C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1OC ZINC000035146312 1059001425 /nfs/dbraw/zinc/00/14/25/1059001425.db2.gz VYGPUUMIPZTXCM-POHAHGRESA-N 0 0 501.605 2.977 50 0 KFAARN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@H](O)C[C@H]5C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000035361917 554044610 /nfs/dbraw/zinc/04/46/10/554044610.db2.gz KWFXBLQFMPZAOR-MHTPWCPHSA-N 0 0 512.647 2.821 50 0 biogenic KFAARN COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCC(C)C)c2=O)cc1 ZINC000035377665 554045476 /nfs/dbraw/zinc/04/54/76/554045476.db2.gz BHPDUPDRWKDEFF-UHFFFAOYSA-N 0 0 508.619 2.821 50 0 KFAARN COc1cccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCC(C)C)c2=O)c1 ZINC000035377667 554045471 /nfs/dbraw/zinc/04/54/71/554045471.db2.gz WJVJASGSYUVPFF-UHFFFAOYSA-N 0 0 508.619 2.821 50 0 KFAARN CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O ZINC000035377670 554045482 /nfs/dbraw/zinc/04/54/82/554045482.db2.gz FUGKJEMQEZFDPC-UHFFFAOYSA-N 0 0 508.575 2.863 50 0 KFAARN COc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NC(C)C)cc2)c1=O ZINC000035377726 554045546 /nfs/dbraw/zinc/04/55/46/554045546.db2.gz KOCGKMLRAZCJEF-UHFFFAOYSA-N 0 0 500.555 2.867 50 0 KFAARN COc1cccc(CNC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC(C)C)cc3)c2=O)c1 ZINC000035377734 554045495 /nfs/dbraw/zinc/04/54/95/554045495.db2.gz ZNFRRFWEEZWYFC-UHFFFAOYSA-N 0 0 514.582 2.545 50 0 KFAARN CC(C)NC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000035377737 554045833 /nfs/dbraw/zinc/04/58/33/554045833.db2.gz KFVSFBKSHCGBPL-UHFFFAOYSA-N 0 0 514.538 2.587 50 0 KFAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)ccc3OC)c2=O)cc1 ZINC000035377761 554045874 /nfs/dbraw/zinc/04/58/74/554045874.db2.gz GJIMISDYSIKWJN-UHFFFAOYSA-N 0 0 506.946 2.742 50 0 KFAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1 ZINC000035377786 554045824 /nfs/dbraw/zinc/04/58/24/554045824.db2.gz DRKQWMVQLVOSOK-UHFFFAOYSA-N 0 0 500.555 2.868 50 0 KFAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3OC)c2=O)cc1 ZINC000035377788 554045815 /nfs/dbraw/zinc/04/58/15/554045815.db2.gz NNJCLAMLZMOAFI-UHFFFAOYSA-N 0 0 500.555 2.868 50 0 KFAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(OC)cc3)c2=O)cc1 ZINC000035377789 554045783 /nfs/dbraw/zinc/04/57/83/554045783.db2.gz RRRWVXJOBBOFKX-UHFFFAOYSA-N 0 0 500.555 2.868 50 0 KFAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(OC)cc3)c2=O)cc1 ZINC000035377796 554045870 /nfs/dbraw/zinc/04/58/70/554045870.db2.gz NJZRBOQYPRBDBC-UHFFFAOYSA-N 0 0 514.582 2.546 50 0 KFAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3cccc(OC)c3)c2=O)cc1 ZINC000035377797 554045786 /nfs/dbraw/zinc/04/57/86/554045786.db2.gz BSSULPVYANHEER-UHFFFAOYSA-N 0 0 514.582 2.546 50 0 KFAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000035377799 554045854 /nfs/dbraw/zinc/04/58/54/554045854.db2.gz PKRWQWJFVXXQGX-UHFFFAOYSA-N 0 0 514.538 2.589 50 0 KFAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1 ZINC000035377820 554046044 /nfs/dbraw/zinc/04/60/44/554046044.db2.gz MEHNWGUXVMSACG-UHFFFAOYSA-N 0 0 518.545 2.544 50 0 KFAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(Cl)cc3)c2=O)cc1)NC1CC1 ZINC000035377838 554046051 /nfs/dbraw/zinc/04/60/51/554046051.db2.gz RFKLLAXSNLJERD-UHFFFAOYSA-N 0 0 516.985 2.943 50 0 KFAARN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)CO5)C3)CC2)c1 ZINC000035378808 554046363 /nfs/dbraw/zinc/04/63/63/554046363.db2.gz CIYPMJLYHNRGNK-OAQYLSRUSA-N 0 0 526.659 2.692 50 0 KFAARN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)CO5)C3)CC2)c1 ZINC000035378809 554046332 /nfs/dbraw/zinc/04/63/32/554046332.db2.gz CIYPMJLYHNRGNK-NRFANRHFSA-N 0 0 526.659 2.692 50 0 KFAARN 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CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)c(OCC)c3)ncn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000035427701 554052402 /nfs/dbraw/zinc/05/24/02/554052402.db2.gz JKPNBTKTQGVSSF-MHZLTWQESA-N 0 0 511.623 2.904 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)c(OCC)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000035427704 554052362 /nfs/dbraw/zinc/05/23/62/554052362.db2.gz JKPNBTKTQGVSSF-HHHXNRCGSA-N 0 0 511.623 2.904 50 0 KFAARN COc1cc2c(cc1OC)n(CC(=O)NC(C)C)c(=O)n(Cc1ccc(C(=O)NCCC(C)C)cc1)c2=O ZINC000035427747 554052394 /nfs/dbraw/zinc/05/23/94/554052394.db2.gz XDCXQPFGSSUXHO-UHFFFAOYSA-N 0 0 524.618 2.529 50 0 KFAARN CCCNC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)NCCC(C)C)cc2)c1=O ZINC000035427749 554052279 /nfs/dbraw/zinc/05/22/79/554052279.db2.gz QHVAKYMYNWAMCW-UHFFFAOYSA-N 0 0 524.618 2.531 50 0 KFAARN CCCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC(C)C)c2=O)cc1 ZINC000035427761 554052380 /nfs/dbraw/zinc/05/23/80/554052380.db2.gz TYJYCMYXXJNZKS-UHFFFAOYSA-N 0 0 524.618 2.673 50 0 KFAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccc(C)cc3)c2=O)cc1 ZINC000035427781 554052658 /nfs/dbraw/zinc/05/26/58/554052658.db2.gz FGLFZCIBHXOGNR-UHFFFAOYSA-N 0 0 516.554 2.535 50 0 KFAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3C)c2=O)cc1 ZINC000035427811 554052578 /nfs/dbraw/zinc/05/25/78/554052578.db2.gz OBMFLXZDLSZBAE-UHFFFAOYSA-N 0 0 516.554 2.535 50 0 KFAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 ZINC000035427814 554052625 /nfs/dbraw/zinc/05/26/25/554052625.db2.gz GRZGHXLHQDXYGI-UHFFFAOYSA-N 0 0 516.554 2.535 50 0 KFAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCC(C)C)c2=O)cc1 ZINC000035427858 554052548 /nfs/dbraw/zinc/05/25/48/554052548.db2.gz VSXIOZRZQXTEMF-UHFFFAOYSA-N 0 0 524.618 2.531 50 0 KFAARN CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N(CC)CC)c2=O)cc1 ZINC000035427896 554052854 /nfs/dbraw/zinc/05/28/54/554052854.db2.gz JJXFBTLQFKMRDT-UHFFFAOYSA-N 0 0 524.618 2.627 50 0 KFAARN CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N[C@@H](C)CC)c2=O)cc1 ZINC000035427898 554052857 /nfs/dbraw/zinc/05/28/57/554052857.db2.gz LXAACKSWTKSSCP-SFHVURJKSA-N 0 0 524.618 2.673 50 0 KFAARN CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N[C@H](C)CC)c2=O)cc1 ZINC000035427900 554052800 /nfs/dbraw/zinc/05/28/00/554052800.db2.gz LXAACKSWTKSSCP-GOSISDBHSA-N 0 0 524.618 2.673 50 0 KFAARN COc1cc2c(cc1OC)n(CC(=O)NCCC(C)C)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O ZINC000035427934 554052797 /nfs/dbraw/zinc/05/27/97/554052797.db2.gz MVBXNZZHFCSPGC-UHFFFAOYSA-N 0 0 524.618 2.529 50 0 KFAARN COCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3C)c2=O)cc1 ZINC000035428056 554053274 /nfs/dbraw/zinc/05/32/74/554053274.db2.gz CMEYAESHGRLMOQ-UHFFFAOYSA-N 0 0 517.582 2.962 50 0 KFAARN COCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3F)c2=O)cc1 ZINC000035428058 554053271 /nfs/dbraw/zinc/05/32/71/554053271.db2.gz MVSCQUSLPHIWKI-UHFFFAOYSA-N 0 0 521.545 2.792 50 0 KFAARN COCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cccc(F)c3)c2=O)cc1 ZINC000035428060 554053313 /nfs/dbraw/zinc/05/33/13/554053313.db2.gz AJIREXONMYKEEY-UHFFFAOYSA-N 0 0 521.545 2.792 50 0 KFAARN COCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000035428062 554053307 /nfs/dbraw/zinc/05/33/07/554053307.db2.gz PMAKGFZBCCSWPM-UHFFFAOYSA-N 0 0 517.582 2.962 50 0 KFAARN COCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000035428064 554053240 /nfs/dbraw/zinc/05/32/40/554053240.db2.gz POEWSHWMTCRGPU-UHFFFAOYSA-N 0 0 521.545 2.792 50 0 KFAARN COCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cccc(C)c3)c2=O)cc1 ZINC000035428068 554053303 /nfs/dbraw/zinc/05/33/03/554053303.db2.gz XBEVPHQRICVXQR-UHFFFAOYSA-N 0 0 517.582 2.962 50 0 KFAARN COC(=O)c1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2SC[C@@H](C)C1=O ZINC000035431507 554053295 /nfs/dbraw/zinc/05/32/95/554053295.db2.gz MZIFVYPVBQWREV-MRXNPFEDSA-N 0 0 517.629 2.971 50 0 KFAARN COC(=O)c1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2SC[C@H](C)C1=O ZINC000035431509 554053291 /nfs/dbraw/zinc/05/32/91/554053291.db2.gz MZIFVYPVBQWREV-INIZCTEOSA-N 0 0 517.629 2.971 50 0 KFAARN COc1ccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@@H](C)C2=O)cc1 ZINC000035431564 554053487 /nfs/dbraw/zinc/05/34/87/554053487.db2.gz MDACDUQQTAFVBB-QGZVFWFLSA-N 0 0 503.646 2.871 50 0 KFAARN COc1ccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@H](C)C2=O)cc1 ZINC000035431567 554053516 /nfs/dbraw/zinc/05/35/16/554053516.db2.gz MDACDUQQTAFVBB-KRWDZBQOSA-N 0 0 503.646 2.871 50 0 KFAARN COc1cccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@@H](C)C2=O)c1 ZINC000035431574 554053473 /nfs/dbraw/zinc/05/34/73/554053473.db2.gz COUSLOUGMCMESG-QGZVFWFLSA-N 0 0 503.646 2.871 50 0 KFAARN COc1cccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@H](C)C2=O)c1 ZINC000035431577 554053451 /nfs/dbraw/zinc/05/34/51/554053451.db2.gz COUSLOUGMCMESG-KRWDZBQOSA-N 0 0 503.646 2.871 50 0 KFAARN COC(=O)c1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@@H](C)C2=O)cc1 ZINC000035431585 554053531 /nfs/dbraw/zinc/05/35/31/554053531.db2.gz FEMMTGCFWFIZAO-MRXNPFEDSA-N 0 0 517.629 2.971 50 0 KFAARN COC(=O)c1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@H](C)C2=O)cc1 ZINC000035431588 554053483 /nfs/dbraw/zinc/05/34/83/554053483.db2.gz FEMMTGCFWFIZAO-INIZCTEOSA-N 0 0 517.629 2.971 50 0 KFAARN CCc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@H](C)C2=O)cc1 ZINC000035431609 554053504 /nfs/dbraw/zinc/05/35/04/554053504.db2.gz IMTALHZCWXJDDU-KRWDZBQOSA-N 0 0 503.646 2.983 50 0 KFAARN CCc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@@H](C)C2=O)cc1 ZINC000035431612 554053501 /nfs/dbraw/zinc/05/35/01/554053501.db2.gz IMTALHZCWXJDDU-QGZVFWFLSA-N 0 0 503.646 2.983 50 0 KFAARN CCN(C(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@H](C)C1=O)c1ccccc1 ZINC000035431637 554053510 /nfs/dbraw/zinc/05/35/10/554053510.db2.gz WOHACGPZLAXWNG-SFHVURJKSA-N 0 0 503.646 2.835 50 0 KFAARN CCN(C(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@@H](C)C1=O)c1ccccc1 ZINC000035431639 554053466 /nfs/dbraw/zinc/05/34/66/554053466.db2.gz WOHACGPZLAXWNG-GOSISDBHSA-N 0 0 503.646 2.835 50 0 KFAARN CCc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@H](C)C1=O ZINC000035431674 554053456 /nfs/dbraw/zinc/05/34/56/554053456.db2.gz QVIDZJOECGSHRO-KRWDZBQOSA-N 0 0 503.646 2.983 50 0 KFAARN CCc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@@H](C)C1=O ZINC000035431676 554053534 /nfs/dbraw/zinc/05/35/34/554053534.db2.gz QVIDZJOECGSHRO-QGZVFWFLSA-N 0 0 503.646 2.983 50 0 KFAARN C[C@@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)N2CCCc3ccccc32)C1=O ZINC000035431683 554053784 /nfs/dbraw/zinc/05/37/84/554053784.db2.gz CVGPQDAAJMGOQL-GOSISDBHSA-N 0 0 515.657 2.762 50 0 KFAARN C[C@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)N2CCCc3ccccc32)C1=O ZINC000035431686 554053766 /nfs/dbraw/zinc/05/37/66/554053766.db2.gz CVGPQDAAJMGOQL-SFHVURJKSA-N 0 0 515.657 2.762 50 0 KFAARN C[C@@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)Nc2ccc(F)cc2F)C1=O ZINC000035431732 554053796 /nfs/dbraw/zinc/05/37/96/554053796.db2.gz TUZWTGOSJBWUKA-CQSZACIVSA-N 0 0 511.572 2.699 50 0 KFAARN C[C@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)Nc2ccc(F)cc2F)C1=O ZINC000035431734 554053790 /nfs/dbraw/zinc/05/37/90/554053790.db2.gz TUZWTGOSJBWUKA-AWEZNQCLSA-N 0 0 511.572 2.699 50 0 KFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)c1 ZINC000035432665 554054671 /nfs/dbraw/zinc/05/46/71/554054671.db2.gz CJOMYTZEMUQCGK-UHFFFAOYSA-N 0 0 508.394 2.566 50 0 KFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)cc1 ZINC000035445347 554054857 /nfs/dbraw/zinc/05/48/57/554054857.db2.gz ODJBFBRQPGMUFB-UHFFFAOYSA-N 0 0 520.405 2.726 50 0 KFAARN O=C(CN1c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC[C@@H]2C1=O)NCCc1ccccc1 ZINC000035445463 554054882 /nfs/dbraw/zinc/05/48/82/554054882.db2.gz QSUHVLTWGUUFDW-XMMPIXPASA-N 0 0 510.660 2.926 50 0 KFAARN O=C(CN1c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC[C@H]2C1=O)NCCc1ccccc1 ZINC000035445466 554054970 /nfs/dbraw/zinc/05/49/70/554054970.db2.gz QSUHVLTWGUUFDW-DEOSSOPVSA-N 0 0 510.660 2.926 50 0 KFAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000035447030 554055257 /nfs/dbraw/zinc/05/52/57/554055257.db2.gz CGEDOIVGUAMLLI-UHFFFAOYSA-N 0 0 504.572 2.939 50 0 KFAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1F)O[C@H](C)C(=O)N2 ZINC000035452612 554055802 /nfs/dbraw/zinc/05/58/02/554055802.db2.gz LJKQNHBCFITTQZ-LLVKDONJSA-N 0 0 500.346 2.875 50 0 KFAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1F)O[C@@H](C)C(=O)N2 ZINC000035452615 554055834 /nfs/dbraw/zinc/05/58/34/554055834.db2.gz LJKQNHBCFITTQZ-NSHDSACASA-N 0 0 500.346 2.875 50 0 KFAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1C(=O)N1CCCC1 ZINC000035481864 554056519 /nfs/dbraw/zinc/05/65/19/554056519.db2.gz VSVGDXVDBLKABW-UHFFFAOYSA-N 0 0 516.620 2.678 50 0 KFAARN O=C(c1csc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1)N1CCCC1 ZINC000035483789 554056838 /nfs/dbraw/zinc/05/68/38/554056838.db2.gz IQUCTYMEXKPWBN-UHFFFAOYSA-N 0 0 516.689 2.734 50 0 KFAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)c(C)s2)no1 ZINC000035502743 554056871 /nfs/dbraw/zinc/05/68/71/554056871.db2.gz TVXCAYMLCOGMQT-UHFFFAOYSA-N 0 0 516.649 2.559 50 0 KFAARN CCSc1nn(CC(=O)Nc2ccc3c(c2)OCCO3)c(N)c1S(=O)(=O)c1ccc(OC)cc1 ZINC000035504254 554057010 /nfs/dbraw/zinc/05/70/10/554057010.db2.gz YDJKLXAYCRHVJS-UHFFFAOYSA-N 0 0 504.590 2.829 50 0 KFAARN COC(=O)c1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000035509688 554057307 /nfs/dbraw/zinc/05/73/07/554057307.db2.gz OJTGPIJQDCFDMV-UHFFFAOYSA-N 0 0 504.572 2.954 50 0 KFAARN COC(=O)c1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1 ZINC000035509692 554057344 /nfs/dbraw/zinc/05/73/44/554057344.db2.gz NLSIMHHXDSOMJO-UHFFFAOYSA-N 0 0 504.572 2.954 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000035511090 554057393 /nfs/dbraw/zinc/05/73/93/554057393.db2.gz BWHBITNALASRLU-UHFFFAOYSA-N 0 0 507.609 2.875 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000035511093 554057328 /nfs/dbraw/zinc/05/73/28/554057328.db2.gz ZFYWQTVAMFJMOA-UHFFFAOYSA-N 0 0 507.609 2.875 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000035511094 554057571 /nfs/dbraw/zinc/05/75/71/554057571.db2.gz HICRYEULTFIEBM-UHFFFAOYSA-N 0 0 516.664 2.568 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000035511096 554057600 /nfs/dbraw/zinc/05/76/00/554057600.db2.gz WQBFEECPUPFPJN-UHFFFAOYSA-N 0 0 507.609 2.875 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000035511102 554057649 /nfs/dbraw/zinc/05/76/49/554057649.db2.gz SUHJHODQOSACNX-UHFFFAOYSA-N 0 0 505.593 2.629 50 0 KFAARN 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COc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccc(C)c(C)c5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926629 554099912 /nfs/dbraw/zinc/09/99/12/554099912.db2.gz QLRRTDAFJIDNJH-UHFFFAOYSA-N 0 0 516.646 2.680 50 0 KFAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)Cc5ccccc5)CC4)n3)CC2)cc1C ZINC000035926630 554099987 /nfs/dbraw/zinc/09/99/87/554099987.db2.gz AUZXWVWHOFOILB-UHFFFAOYSA-N 0 0 500.647 2.600 50 0 KFAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)Cc5cccs5)CC4)n3)CC2)cc1C ZINC000035926639 554099867 /nfs/dbraw/zinc/09/98/67/554099867.db2.gz TUPQLRJFMDCMLN-UHFFFAOYSA-N 0 0 506.676 2.662 50 0 KFAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)CCc5ccccc5)CC4)n3)CC2)cc1C ZINC000035926645 554099996 /nfs/dbraw/zinc/09/99/96/554099996.db2.gz BLNYYZDKWFOCGK-UHFFFAOYSA-N 0 0 514.674 2.990 50 0 KFAARN COc1cccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccc(C)c(C)c5)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926649 554100005 /nfs/dbraw/zinc/10/00/05/554100005.db2.gz MLNGSBVKEPFLNV-UHFFFAOYSA-N 0 0 516.646 2.680 50 0 KFAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)COCc5ccccc5)CC4)n3)CC2)cc1C ZINC000035926654 554100040 /nfs/dbraw/zinc/10/00/40/554100040.db2.gz YNOBMOAUOCIPNW-UHFFFAOYSA-N 0 0 530.673 2.574 50 0 KFAARN COc1ccccc1C(=O)N1CCN(c2nc(CN3CCN(c4ccc(C)c(C)c4)CC3)cc(=O)[nH]2)CC1 ZINC000035926656 554100087 /nfs/dbraw/zinc/10/00/87/554100087.db2.gz GAFKDAHNDREURA-UHFFFAOYSA-N 0 0 516.646 2.680 50 0 KFAARN CCCCC(=O)N1CCN(c2nc(CN3CCN(c4cc(Cl)ccc4OC)CC3)cc(=O)[nH]2)CC1 ZINC000035926658 554100113 /nfs/dbraw/zinc/10/01/13/554100113.db2.gz RYCNDRPDMCPMNK-UHFFFAOYSA-N 0 0 503.047 2.593 50 0 KFAARN COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)C4CCCCC4)CC3)n2)CC1 ZINC000035926661 554100550 /nfs/dbraw/zinc/10/05/50/554100550.db2.gz UJZGZYWQLNHVEJ-UHFFFAOYSA-N 0 0 529.085 2.983 50 0 KFAARN CCCCCC(=O)N1CCN(c2nc(CN3CCN(c4cc(Cl)ccc4OC)CC3)cc(=O)[nH]2)CC1 ZINC000035926662 554100397 /nfs/dbraw/zinc/10/03/97/554100397.db2.gz TXBDKKKVJYOXFI-UHFFFAOYSA-N 0 0 517.074 2.983 50 0 KFAARN COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)CC(C)(C)C)CC3)n2)CC1 ZINC000035926663 554100564 /nfs/dbraw/zinc/10/05/64/554100564.db2.gz SEQXQVFLIMXWOR-UHFFFAOYSA-N 0 0 517.074 2.839 50 0 KFAARN COc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5cc(C)ccc5C)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926709 554100502 /nfs/dbraw/zinc/10/05/02/554100502.db2.gz QNEOLVZMSHHORP-UHFFFAOYSA-N 0 0 516.646 2.680 50 0 KFAARN Cc1ccc(C)c(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)CCc5ccccc5)CC4)n3)CC2)c1 ZINC000035926716 554100493 /nfs/dbraw/zinc/10/04/93/554100493.db2.gz UYOUJNSNJQBZRL-UHFFFAOYSA-N 0 0 514.674 2.990 50 0 KFAARN CCc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5cccc(C)c5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926741 554100441 /nfs/dbraw/zinc/10/04/41/554100441.db2.gz JDGSJHCALDWUNO-UHFFFAOYSA-N 0 0 500.647 2.925 50 0 KFAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)CCc5ccccc5)CC4)n3)CC2)cc1 ZINC000035926756 554100377 /nfs/dbraw/zinc/10/03/77/554100377.db2.gz NYVIOWULTSRGNS-UHFFFAOYSA-N 0 0 500.647 2.682 50 0 KFAARN Cc1ccc(NC(=O)N2CCN(c3nc(CN4CCN(Cc5ccc(F)cc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926774 554100525 /nfs/dbraw/zinc/10/05/25/554100525.db2.gz VBWCROZRHWCYEJ-UHFFFAOYSA-N 0 0 519.625 2.889 50 0 KFAARN COc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)n2)CC1 ZINC000035926781 554100451 /nfs/dbraw/zinc/10/04/51/554100451.db2.gz LHWKOZRXFNCQAQ-UHFFFAOYSA-N 0 0 517.634 2.763 50 0 KFAARN Cc1ccc(NC(=O)N2CCN(c3nc(CN4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926786 554100857 /nfs/dbraw/zinc/10/08/57/554100857.db2.gz YDNZJEPHDGBRPH-UHFFFAOYSA-N 0 0 505.598 2.894 50 0 KFAARN COc1cccc(CN2CCN(c3nc(CN4CCN(Cc5ccc(F)cc5)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926844 554100919 /nfs/dbraw/zinc/10/09/19/554100919.db2.gz VOPDIEHQPAJWMG-UHFFFAOYSA-N 0 0 506.626 2.558 50 0 KFAARN COc1ccc(-c2nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000035929263 554101497 /nfs/dbraw/zinc/10/14/97/554101497.db2.gz YUDLOFMIMMHGSP-QFIPXVFZSA-N 0 0 529.601 2.910 50 0 KFAARN COc1ccc(-c2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000035929266 554101676 /nfs/dbraw/zinc/10/16/76/554101676.db2.gz YUDLOFMIMMHGSP-JOCHJYFZSA-N 0 0 529.601 2.910 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 ZINC000035946910 554103368 /nfs/dbraw/zinc/10/33/68/554103368.db2.gz RVBLSLJRNMFTBW-VWLOTQADSA-N 0 0 529.037 2.834 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1 ZINC000035946912 554103411 /nfs/dbraw/zinc/10/34/11/554103411.db2.gz RVBLSLJRNMFTBW-RUZDIDTESA-N 0 0 529.037 2.834 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F ZINC000035946963 554103622 /nfs/dbraw/zinc/10/36/22/554103622.db2.gz WDSWFCLISABYMZ-DEOSSOPVSA-N 0 0 517.001 2.964 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1F ZINC000035946964 554103613 /nfs/dbraw/zinc/10/36/13/554103613.db2.gz WDSWFCLISABYMZ-XMMPIXPASA-N 0 0 517.001 2.964 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000035947138 554103846 /nfs/dbraw/zinc/10/38/46/554103846.db2.gz WRNRASGZIXZGAZ-DEOSSOPVSA-N 0 0 517.001 2.964 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000035947139 554103793 /nfs/dbraw/zinc/10/37/93/554103793.db2.gz WRNRASGZIXZGAZ-XMMPIXPASA-N 0 0 517.001 2.964 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl ZINC000035947875 554105177 /nfs/dbraw/zinc/10/51/77/554105177.db2.gz ZYDAYNFCLMNMGV-NRFANRHFSA-N 0 0 505.040 2.886 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl ZINC000035947876 554105203 /nfs/dbraw/zinc/10/52/03/554105203.db2.gz ZYDAYNFCLMNMGV-OAQYLSRUSA-N 0 0 505.040 2.886 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000035947895 554105216 /nfs/dbraw/zinc/10/52/16/554105216.db2.gz GZMXVDCQKKJDRD-NRFANRHFSA-N 0 0 505.040 2.886 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035947896 554105214 /nfs/dbraw/zinc/10/52/14/554105214.db2.gz GZMXVDCQKKJDRD-OAQYLSRUSA-N 0 0 505.040 2.886 50 0 KFAARN COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(C)=O)c1 ZINC000035947973 554105470 /nfs/dbraw/zinc/10/54/70/554105470.db2.gz GZLOFRKNNBZGAM-QFIPXVFZSA-N 0 0 500.621 2.624 50 0 KFAARN COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(C)=O)c1 ZINC000035947974 554105495 /nfs/dbraw/zinc/10/54/95/554105495.db2.gz GZLOFRKNNBZGAM-JOCHJYFZSA-N 0 0 500.621 2.624 50 0 KFAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000035947987 554105697 /nfs/dbraw/zinc/10/56/97/554105697.db2.gz IIWRXFWQFDNXOP-QHCPKHFHSA-N 0 0 510.566 2.803 50 0 KFAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000035947988 554105692 /nfs/dbraw/zinc/10/56/92/554105692.db2.gz IIWRXFWQFDNXOP-HSZRJFAPSA-N 0 0 510.566 2.803 50 0 KFAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1OC ZINC000035948047 554105964 /nfs/dbraw/zinc/10/59/64/554105964.db2.gz LRNOOLRAXFFHKB-VWLOTQADSA-N 0 0 508.619 2.952 50 0 KFAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1OC ZINC000035948048 554106020 /nfs/dbraw/zinc/10/60/20/554106020.db2.gz LRNOOLRAXFFHKB-RUZDIDTESA-N 0 0 508.619 2.952 50 0 KFAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@H](c3ccccc3OC)C2)cc1 ZINC000035948049 554106045 /nfs/dbraw/zinc/10/60/45/554106045.db2.gz COLKDQDNQZIUDS-SANMLTNESA-N 0 0 520.630 2.952 50 0 KFAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@@H](c3ccccc3OC)C2)cc1 ZINC000035948050 554105953 /nfs/dbraw/zinc/10/59/53/554105953.db2.gz COLKDQDNQZIUDS-AREMUKBSSA-N 0 0 520.630 2.952 50 0 KFAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(C)=O)[C@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000035948069 554106014 /nfs/dbraw/zinc/10/60/14/554106014.db2.gz FBPLZZZUIDPWEM-SANMLTNESA-N 0 0 524.618 2.571 50 0 KFAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(C)=O)[C@@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000035948070 554106026 /nfs/dbraw/zinc/10/60/26/554106026.db2.gz FBPLZZZUIDPWEM-AREMUKBSSA-N 0 0 524.618 2.571 50 0 KFAARN CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000035948071 554105988 /nfs/dbraw/zinc/10/59/88/554105988.db2.gz NEYHPPCFLTVRLK-VWLOTQADSA-N 0 0 506.603 2.891 50 0 KFAARN CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000035948072 554106040 /nfs/dbraw/zinc/10/60/40/554106040.db2.gz NEYHPPCFLTVRLK-RUZDIDTESA-N 0 0 506.603 2.891 50 0 KFAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC ZINC000035949206 554107041 /nfs/dbraw/zinc/10/70/41/554107041.db2.gz MLEKXIGECYENJP-QFIPXVFZSA-N 0 0 529.663 2.807 50 0 KFAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC ZINC000035949207 554107021 /nfs/dbraw/zinc/10/70/21/554107021.db2.gz MLEKXIGECYENJP-JOCHJYFZSA-N 0 0 529.663 2.807 50 0 KFAARN Cn1cccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)(C)C ZINC000035949208 554107072 /nfs/dbraw/zinc/10/70/72/554107072.db2.gz JLYDBFFTUCHIQQ-NRFANRHFSA-N 0 0 500.669 2.907 50 0 KFAARN Cn1cccc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)(C)C ZINC000035949209 554107349 /nfs/dbraw/zinc/10/73/49/554107349.db2.gz JLYDBFFTUCHIQQ-OAQYLSRUSA-N 0 0 500.669 2.907 50 0 KFAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000035958199 554108123 /nfs/dbraw/zinc/10/81/23/554108123.db2.gz FDBHTOSVPUZQDG-UHFFFAOYSA-N 0 0 525.668 2.819 50 0 KFAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000035960472 554108337 /nfs/dbraw/zinc/10/83/37/554108337.db2.gz YJBKIPPRPUGCJX-SANMLTNESA-N 0 0 508.619 2.952 50 0 KFAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000035960473 554108378 /nfs/dbraw/zinc/10/83/78/554108378.db2.gz YJBKIPPRPUGCJX-AREMUKBSSA-N 0 0 508.619 2.952 50 0 KFAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000035960474 554108343 /nfs/dbraw/zinc/10/83/43/554108343.db2.gz FKBRSEGFMUODGV-MHZLTWQESA-N 0 0 520.630 2.952 50 0 KFAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000035960476 554108351 /nfs/dbraw/zinc/10/83/51/554108351.db2.gz FKBRSEGFMUODGV-HHHXNRCGSA-N 0 0 520.630 2.952 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000035960589 554108567 /nfs/dbraw/zinc/10/85/67/554108567.db2.gz VFQPHLKVPRPPBR-VWLOTQADSA-N 0 0 529.037 2.834 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035960590 554108572 /nfs/dbraw/zinc/10/85/72/554108572.db2.gz VFQPHLKVPRPPBR-RUZDIDTESA-N 0 0 529.037 2.834 50 0 KFAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000035960665 554108537 /nfs/dbraw/zinc/10/85/37/554108537.db2.gz DMDCREIMQBCPHN-SANMLTNESA-N 0 0 523.634 2.745 50 0 KFAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000035960666 554108552 /nfs/dbraw/zinc/10/85/52/554108552.db2.gz DMDCREIMQBCPHN-AREMUKBSSA-N 0 0 523.634 2.745 50 0 KFAARN COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CCN2CCOCC2)C(C)=O)cc1 ZINC000035961020 554109132 /nfs/dbraw/zinc/10/91/32/554109132.db2.gz AWRBAISNNHNLJP-SANMLTNESA-N 0 0 524.618 2.571 50 0 KFAARN COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CCN2CCOCC2)C(C)=O)cc1 ZINC000035961021 554109227 /nfs/dbraw/zinc/10/92/27/554109227.db2.gz AWRBAISNNHNLJP-AREMUKBSSA-N 0 0 524.618 2.571 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000035961146 554109455 /nfs/dbraw/zinc/10/94/55/554109455.db2.gz MZBMZEMWIUXIHE-DEOSSOPVSA-N 0 0 517.001 2.964 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1 ZINC000035961147 554109446 /nfs/dbraw/zinc/10/94/46/554109446.db2.gz MZBMZEMWIUXIHE-XMMPIXPASA-N 0 0 517.001 2.964 50 0 KFAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1OC ZINC000035961226 554109646 /nfs/dbraw/zinc/10/96/46/554109646.db2.gz ROEHDEHWIUBMGG-DEOSSOPVSA-N 0 0 511.598 2.876 50 0 KFAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1OC ZINC000035961227 554109654 /nfs/dbraw/zinc/10/96/54/554109654.db2.gz ROEHDEHWIUBMGG-XMMPIXPASA-N 0 0 511.598 2.876 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1OC ZINC000035961302 554109603 /nfs/dbraw/zinc/10/96/03/554109603.db2.gz LLKOXZKPAOJXHG-SANMLTNESA-N 0 0 522.646 2.797 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1OC ZINC000035961303 554109700 /nfs/dbraw/zinc/10/97/00/554109700.db2.gz LLKOXZKPAOJXHG-AREMUKBSSA-N 0 0 522.646 2.797 50 0 KFAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1 ZINC000035961887 554110407 /nfs/dbraw/zinc/11/04/07/554110407.db2.gz CDNLTJDOXIWKOR-VWLOTQADSA-N 0 0 508.619 2.952 50 0 KFAARN 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2.727 50 0 KFAARN CN1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4cccc(Cl)c4)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000035981973 554118302 /nfs/dbraw/zinc/11/83/02/554118302.db2.gz BKSHOPHALPGKPZ-HSZRJFAPSA-N 0 0 529.012 2.727 50 0 KFAARN COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NC(C)C)N2C(=O)c1ccc(F)cc1 ZINC000035981976 554118412 /nfs/dbraw/zinc/11/84/12/554118412.db2.gz GDNVLRQKIBBOPF-FQEVSTJZSA-N 0 0 513.566 2.841 50 0 KFAARN COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NC(C)C)N2C(=O)c1ccc(F)cc1 ZINC000035981977 554118380 /nfs/dbraw/zinc/11/83/80/554118380.db2.gz GDNVLRQKIBBOPF-HXUWFJFHSA-N 0 0 513.566 2.841 50 0 KFAARN CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)C(C)(C)C)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000035981980 554118365 /nfs/dbraw/zinc/11/83/65/554118365.db2.gz MAJRHYFUVUTZBL-QFIPXVFZSA-N 0 0 531.625 2.833 50 0 KFAARN CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)C(C)(C)C)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000035981981 554118297 /nfs/dbraw/zinc/11/82/97/554118297.db2.gz MAJRHYFUVUTZBL-JOCHJYFZSA-N 0 0 531.625 2.833 50 0 KFAARN Cc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccc(F)cc2)c1 ZINC000035981992 554118351 /nfs/dbraw/zinc/11/83/51/554118351.db2.gz YEAKFJYNGQHVJF-ZEQRLZLVSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccc(F)cc2)c1 ZINC000035981993 554118321 /nfs/dbraw/zinc/11/83/21/554118321.db2.gz YEAKFJYNGQHVJF-BJKOFHAPSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccc(F)cc2)c1 ZINC000035981994 554118398 /nfs/dbraw/zinc/11/83/98/554118398.db2.gz YEAKFJYNGQHVJF-RPWUZVMVSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccc(F)cc2)c1 ZINC000035981995 554118338 /nfs/dbraw/zinc/11/83/38/554118338.db2.gz YEAKFJYNGQHVJF-DNQXCXABSA-N 0 0 509.578 2.903 50 0 KFAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCOCC2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000035982034 554118562 /nfs/dbraw/zinc/11/85/62/554118562.db2.gz KKRMJDQWOHHHEQ-DEOSSOPVSA-N 0 0 509.578 2.720 50 0 KFAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCOCC2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000035982035 554118502 /nfs/dbraw/zinc/11/85/02/554118502.db2.gz KKRMJDQWOHHHEQ-XMMPIXPASA-N 0 0 509.578 2.720 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000035982048 554118583 /nfs/dbraw/zinc/11/85/83/554118583.db2.gz XXJHFIGETYBCTQ-ZEQRLZLVSA-N 0 0 525.577 2.603 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000035982049 554118533 /nfs/dbraw/zinc/11/85/33/554118533.db2.gz XXJHFIGETYBCTQ-BJKOFHAPSA-N 0 0 525.577 2.603 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000035982050 554118535 /nfs/dbraw/zinc/11/85/35/554118535.db2.gz XXJHFIGETYBCTQ-RPWUZVMVSA-N 0 0 525.577 2.603 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000035982051 554118522 /nfs/dbraw/zinc/11/85/22/554118522.db2.gz XXJHFIGETYBCTQ-DNQXCXABSA-N 0 0 525.577 2.603 50 0 KFAARN COc1ccc(NC(=O)Cn2c3cc(=O)n(CCN4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c(OC)c1 ZINC000035982609 554118701 /nfs/dbraw/zinc/11/87/01/554118701.db2.gz YLBHJPWBQWRVGZ-UHFFFAOYSA-N 0 0 604.689 2.860 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000035986378 554118759 /nfs/dbraw/zinc/11/87/59/554118759.db2.gz RINQPHJZYVKHJM-DEOSSOPVSA-N 0 0 509.603 2.950 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000035986379 554118778 /nfs/dbraw/zinc/11/87/78/554118778.db2.gz RINQPHJZYVKHJM-XMMPIXPASA-N 0 0 509.603 2.950 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)N3CCCC3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000035986390 554119086 /nfs/dbraw/zinc/11/90/86/554119086.db2.gz LYRCPLPMYWXTRS-DEOSSOPVSA-N 0 0 507.587 2.800 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)N3CCCC3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000035986391 554119031 /nfs/dbraw/zinc/11/90/31/554119031.db2.gz LYRCPLPMYWXTRS-XMMPIXPASA-N 0 0 507.587 2.800 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1 ZINC000035986436 554119045 /nfs/dbraw/zinc/11/90/45/554119045.db2.gz HNMRCJBOGKOQOW-VXKWHMMOSA-N 0 0 501.624 2.586 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1 ZINC000035986437 554119098 /nfs/dbraw/zinc/11/90/98/554119098.db2.gz HNMRCJBOGKOQOW-FCHUYYIVSA-N 0 0 501.624 2.586 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1 ZINC000035986438 554119095 /nfs/dbraw/zinc/11/90/95/554119095.db2.gz HNMRCJBOGKOQOW-YADHBBJMSA-N 0 0 501.624 2.586 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1 ZINC000035986439 554119050 /nfs/dbraw/zinc/11/90/50/554119050.db2.gz HNMRCJBOGKOQOW-FGZHOGPDSA-N 0 0 501.624 2.586 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)Cc2ccccc2)CC3)cc1 ZINC000035986462 554119011 /nfs/dbraw/zinc/11/90/11/554119011.db2.gz CXCXWBCLKDAMFJ-SANMLTNESA-N 0 0 528.609 2.809 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)Cc2ccccc2)CC3)cc1 ZINC000035986463 554119020 /nfs/dbraw/zinc/11/90/20/554119020.db2.gz CXCXWBCLKDAMFJ-AREMUKBSSA-N 0 0 528.609 2.809 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)Cc2ccccc2)CC3)cc1 ZINC000035986464 554119024 /nfs/dbraw/zinc/11/90/24/554119024.db2.gz AOPMKOSRRAQXAL-SANMLTNESA-N 0 0 528.609 2.809 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)Cc2ccccc2)CC3)cc1 ZINC000035986465 554119081 /nfs/dbraw/zinc/11/90/81/554119081.db2.gz AOPMKOSRRAQXAL-AREMUKBSSA-N 0 0 528.609 2.809 50 0 KFAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986498 554119303 /nfs/dbraw/zinc/11/93/03/554119303.db2.gz ORQFCRUHAXKKKF-GCJKJVERSA-N 0 0 523.586 2.812 50 0 KFAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986499 554119252 /nfs/dbraw/zinc/11/92/52/554119252.db2.gz ORQFCRUHAXKKKF-AVRDEDQJSA-N 0 0 523.586 2.812 50 0 KFAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986500 554119212 /nfs/dbraw/zinc/11/92/12/554119212.db2.gz ORQFCRUHAXKKKF-XMSQKQJNSA-N 0 0 523.586 2.812 50 0 KFAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986501 554119217 /nfs/dbraw/zinc/11/92/17/554119217.db2.gz ORQFCRUHAXKKKF-PGRDOPGGSA-N 0 0 523.586 2.812 50 0 KFAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986504 554119292 /nfs/dbraw/zinc/11/92/92/554119292.db2.gz SEATZCYKNHIKBO-QFIPXVFZSA-N 0 0 515.994 2.585 50 0 KFAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986505 554119310 /nfs/dbraw/zinc/11/93/10/554119310.db2.gz SEATZCYKNHIKBO-JOCHJYFZSA-N 0 0 515.994 2.585 50 0 KFAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)cc2)CC1 ZINC000035986650 554119554 /nfs/dbraw/zinc/11/95/54/554119554.db2.gz KFGNKCMMWWTJAZ-UHFFFAOYSA-N 0 0 506.378 2.744 50 0 KFAARN CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)CC(C)C)CC3)N2C(=O)c2ccccc2)CC1 ZINC000035986691 554119543 /nfs/dbraw/zinc/11/95/43/554119543.db2.gz SRGGNMVGFVFDAX-QHCPKHFHSA-N 0 0 513.635 2.694 50 0 KFAARN CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)CC(C)C)CC3)N2C(=O)c2ccccc2)CC1 ZINC000035986692 554119550 /nfs/dbraw/zinc/11/95/50/554119550.db2.gz SRGGNMVGFVFDAX-HSZRJFAPSA-N 0 0 513.635 2.694 50 0 KFAARN CN1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4ccc(Cl)cc4)CC3)N2C(=O)c2ccccc2)CC1 ZINC000035986793 554119547 /nfs/dbraw/zinc/11/95/47/554119547.db2.gz SFJKJSXWLCHMRD-QHCPKHFHSA-N 0 0 511.022 2.588 50 0 KFAARN CN1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccc(Cl)cc4)CC3)N2C(=O)c2ccccc2)CC1 ZINC000035986794 554119560 /nfs/dbraw/zinc/11/95/60/554119560.db2.gz SFJKJSXWLCHMRD-HSZRJFAPSA-N 0 0 511.022 2.588 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccncc2)N3C(=O)c2ccccc2)c1 ZINC000035986815 554119721 /nfs/dbraw/zinc/11/97/21/554119721.db2.gz WBHJNDGGAVNHOP-VWLOTQADSA-N 0 0 514.582 2.880 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccncc2)N3C(=O)c2ccccc2)c1 ZINC000035986816 554119705 /nfs/dbraw/zinc/11/97/05/554119705.db2.gz WBHJNDGGAVNHOP-RUZDIDTESA-N 0 0 514.582 2.880 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2ccccc2)c1 ZINC000035986829 554119633 /nfs/dbraw/zinc/11/96/33/554119633.db2.gz ZTZRMIVZPRNUGJ-VWLOTQADSA-N 0 0 514.582 2.880 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2ccccc2)c1 ZINC000035986830 554119735 /nfs/dbraw/zinc/11/97/35/554119735.db2.gz ZTZRMIVZPRNUGJ-RUZDIDTESA-N 0 0 514.582 2.880 50 0 KFAARN CN1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4cccc(Cl)c4)CC3)N2C(=O)c2ccccc2)CC1 ZINC000035986855 554119739 /nfs/dbraw/zinc/11/97/39/554119739.db2.gz GZDNXAUDXVDFNO-QHCPKHFHSA-N 0 0 511.022 2.588 50 0 KFAARN CN1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4cccc(Cl)c4)CC3)N2C(=O)c2ccccc2)CC1 ZINC000035986856 554119696 /nfs/dbraw/zinc/11/96/96/554119696.db2.gz GZDNXAUDXVDFNO-HSZRJFAPSA-N 0 0 511.022 2.588 50 0 KFAARN COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCC(C)C)N2C(=O)c1ccccc1 ZINC000035986857 554119681 /nfs/dbraw/zinc/11/96/81/554119681.db2.gz NPHCZFCXYINPLG-NRFANRHFSA-N 0 0 509.603 2.950 50 0 KFAARN COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NCC(C)C)N2C(=O)c1ccccc1 ZINC000035986858 554119746 /nfs/dbraw/zinc/11/97/46/554119746.db2.gz NPHCZFCXYINPLG-OAQYLSRUSA-N 0 0 509.603 2.950 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCC(C)C)N3C(=O)c2ccccc2)cc1OC ZINC000035986887 554119669 /nfs/dbraw/zinc/11/96/69/554119669.db2.gz FKXDQHNSPADOCG-QFIPXVFZSA-N 0 0 509.603 2.950 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCC(C)C)N3C(=O)c2ccccc2)cc1OC ZINC000035986888 554119660 /nfs/dbraw/zinc/11/96/60/554119660.db2.gz FKXDQHNSPADOCG-JOCHJYFZSA-N 0 0 509.603 2.950 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCCC2)N3C(=O)c2ccccc2)cc1OC ZINC000035986897 554119929 /nfs/dbraw/zinc/11/99/29/554119929.db2.gz NHKOFLLFJPZBNN-QFIPXVFZSA-N 0 0 507.587 2.800 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCCC2)N3C(=O)c2ccccc2)cc1OC ZINC000035986898 554119907 /nfs/dbraw/zinc/11/99/07/554119907.db2.gz NHKOFLLFJPZBNN-JOCHJYFZSA-N 0 0 507.587 2.800 50 0 KFAARN O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccccc1 ZINC000035986913 554119919 /nfs/dbraw/zinc/11/99/19/554119919.db2.gz HFCTUHXVLROWLI-REWPJTCUSA-N 0 0 513.541 2.734 50 0 KFAARN O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccccc1 ZINC000035986914 554119966 /nfs/dbraw/zinc/11/99/66/554119966.db2.gz HFCTUHXVLROWLI-NZQKXSOJSA-N 0 0 513.541 2.734 50 0 KFAARN O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccccc1 ZINC000035986915 554119885 /nfs/dbraw/zinc/11/98/85/554119885.db2.gz HFCTUHXVLROWLI-OFNKIYASSA-N 0 0 513.541 2.734 50 0 KFAARN O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccccc1 ZINC000035986916 554119881 /nfs/dbraw/zinc/11/98/81/554119881.db2.gz HFCTUHXVLROWLI-NFBKMPQASA-N 0 0 513.541 2.734 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986965 554120112 /nfs/dbraw/zinc/12/01/12/554120112.db2.gz YSWPHGCRWBYORS-DQEYMECFSA-N 0 0 521.614 2.772 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986966 554120064 /nfs/dbraw/zinc/12/00/64/554120064.db2.gz YSWPHGCRWBYORS-LOSJGSFVSA-N 0 0 521.614 2.772 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986967 554120083 /nfs/dbraw/zinc/12/00/83/554120083.db2.gz YSWPHGCRWBYORS-RPBOFIJWSA-N 0 0 521.614 2.772 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986968 554120049 /nfs/dbraw/zinc/12/00/49/554120049.db2.gz YSWPHGCRWBYORS-JWQCQUIFSA-N 0 0 521.614 2.772 50 0 KFAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035987029 554120067 /nfs/dbraw/zinc/12/00/67/554120067.db2.gz AQUFFISPLWZDFY-URXFXBBRSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035987030 554120032 /nfs/dbraw/zinc/12/00/32/554120032.db2.gz AQUFFISPLWZDFY-XUZZJYLKSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035987031 554120061 /nfs/dbraw/zinc/12/00/61/554120061.db2.gz AQUFFISPLWZDFY-QPPBQGQZSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035987032 554120050 /nfs/dbraw/zinc/12/00/50/554120050.db2.gz AQUFFISPLWZDFY-ZJSXRUAMSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987051 554120349 /nfs/dbraw/zinc/12/03/49/554120349.db2.gz NFXREYZZGTUWRY-ZEQRLZLVSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987052 554120336 /nfs/dbraw/zinc/12/03/36/554120336.db2.gz NFXREYZZGTUWRY-BJKOFHAPSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987053 554120385 /nfs/dbraw/zinc/12/03/85/554120385.db2.gz NFXREYZZGTUWRY-RPWUZVMVSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987054 554120378 /nfs/dbraw/zinc/12/03/78/554120378.db2.gz NFXREYZZGTUWRY-DNQXCXABSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1 ZINC000035987069 554120345 /nfs/dbraw/zinc/12/03/45/554120345.db2.gz KUKLIOJLDILLBF-DQEYMECFSA-N 0 0 505.615 2.693 50 0 KFAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1 ZINC000035987070 554120347 /nfs/dbraw/zinc/12/03/47/554120347.db2.gz KUKLIOJLDILLBF-LOSJGSFVSA-N 0 0 505.615 2.693 50 0 KFAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1 ZINC000035987071 554120372 /nfs/dbraw/zinc/12/03/72/554120372.db2.gz KUKLIOJLDILLBF-RPBOFIJWSA-N 0 0 505.615 2.693 50 0 KFAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1 ZINC000035987072 554120354 /nfs/dbraw/zinc/12/03/54/554120354.db2.gz KUKLIOJLDILLBF-JWQCQUIFSA-N 0 0 505.615 2.693 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987107 554120551 /nfs/dbraw/zinc/12/05/51/554120551.db2.gz BOWQQPOZKYYXSQ-DQEYMECFSA-N 0 0 521.614 2.772 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987108 554120481 /nfs/dbraw/zinc/12/04/81/554120481.db2.gz BOWQQPOZKYYXSQ-LOSJGSFVSA-N 0 0 521.614 2.772 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987109 554120503 /nfs/dbraw/zinc/12/05/03/554120503.db2.gz BOWQQPOZKYYXSQ-RPBOFIJWSA-N 0 0 521.614 2.772 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987110 554120562 /nfs/dbraw/zinc/12/05/62/554120562.db2.gz BOWQQPOZKYYXSQ-JWQCQUIFSA-N 0 0 521.614 2.772 50 0 KFAARN Cc1cccc(C(=O)N2[C@H](C(=O)N3CCN(C)CC3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987159 554120516 /nfs/dbraw/zinc/12/05/16/554120516.db2.gz OSCZWKGRAKPQKB-VWLOTQADSA-N 0 0 504.631 2.551 50 0 KFAARN Cc1cccc(C(=O)N2[C@@H](C(=O)N3CCN(C)CC3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987160 554120536 /nfs/dbraw/zinc/12/05/36/554120536.db2.gz OSCZWKGRAKPQKB-RUZDIDTESA-N 0 0 504.631 2.551 50 0 KFAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1cccc(C)c1 ZINC000035987163 554120495 /nfs/dbraw/zinc/12/04/95/554120495.db2.gz JEGQPYRQASGIRJ-QFIPXVFZSA-N 0 0 501.530 2.509 50 0 KFAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1cccc(C)c1 ZINC000035987164 554120555 /nfs/dbraw/zinc/12/05/55/554120555.db2.gz JEGQPYRQASGIRJ-JOCHJYFZSA-N 0 0 501.530 2.509 50 0 KFAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000035987337 554120893 /nfs/dbraw/zinc/12/08/93/554120893.db2.gz JUHYFNNYWZLDMJ-UPVQGACJSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000035987338 554120844 /nfs/dbraw/zinc/12/08/44/554120844.db2.gz JUHYFNNYWZLDMJ-LADGPHEKSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000035987339 554120833 /nfs/dbraw/zinc/12/08/33/554120833.db2.gz JUHYFNNYWZLDMJ-VWNXMTODSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000035987340 554120783 /nfs/dbraw/zinc/12/07/83/554120783.db2.gz JUHYFNNYWZLDMJ-ISKFKSNPSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1ccccc1F)CC2 ZINC000035987429 554121000 /nfs/dbraw/zinc/12/10/00/554121000.db2.gz DEYNWJHAUGYAED-RDPSFJRHSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1ccccc1F)CC2 ZINC000035987430 554121076 /nfs/dbraw/zinc/12/10/76/554121076.db2.gz DEYNWJHAUGYAED-GBXCKJPGSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1ccccc1F)CC2 ZINC000035987431 554121009 /nfs/dbraw/zinc/12/10/09/554121009.db2.gz DEYNWJHAUGYAED-YKSBVNFPSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1ccccc1F)CC2 ZINC000035987432 554121080 /nfs/dbraw/zinc/12/10/80/554121080.db2.gz DEYNWJHAUGYAED-HYBUGGRVSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000035987445 554121366 /nfs/dbraw/zinc/12/13/66/554121366.db2.gz SRUQMAQSFGCDTE-UPVQGACJSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000035987446 554121351 /nfs/dbraw/zinc/12/13/51/554121351.db2.gz SRUQMAQSFGCDTE-LADGPHEKSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000035987447 554121333 /nfs/dbraw/zinc/12/13/33/554121333.db2.gz SRUQMAQSFGCDTE-VWNXMTODSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000035987448 554121354 /nfs/dbraw/zinc/12/13/54/554121354.db2.gz SRUQMAQSFGCDTE-ISKFKSNPSA-N 0 0 509.578 2.903 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987702 554121764 /nfs/dbraw/zinc/12/17/64/554121764.db2.gz KJIJYPGOZMFXAC-DQEYMECFSA-N 0 0 521.614 2.772 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987703 554121844 /nfs/dbraw/zinc/12/18/44/554121844.db2.gz KJIJYPGOZMFXAC-LOSJGSFVSA-N 0 0 521.614 2.772 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987704 554121773 /nfs/dbraw/zinc/12/17/73/554121773.db2.gz KJIJYPGOZMFXAC-RPBOFIJWSA-N 0 0 521.614 2.772 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987705 554121821 /nfs/dbraw/zinc/12/18/21/554121821.db2.gz KJIJYPGOZMFXAC-JWQCQUIFSA-N 0 0 521.614 2.772 50 0 KFAARN Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)cc1 ZINC000035987748 554122019 /nfs/dbraw/zinc/12/20/19/554122019.db2.gz JRCRWSHJZCBLNS-URXFXBBRSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)cc1 ZINC000035987749 554121996 /nfs/dbraw/zinc/12/19/96/554121996.db2.gz JRCRWSHJZCBLNS-XUZZJYLKSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)cc1 ZINC000035987750 554122037 /nfs/dbraw/zinc/12/20/37/554122037.db2.gz JRCRWSHJZCBLNS-QPPBQGQZSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)cc1 ZINC000035987751 554121993 /nfs/dbraw/zinc/12/19/93/554121993.db2.gz JRCRWSHJZCBLNS-ZJSXRUAMSA-N 0 0 509.578 2.903 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccc(C)cc2)c1 ZINC000035987762 554122010 /nfs/dbraw/zinc/12/20/10/554122010.db2.gz ZPJYOSCGNJRRTK-DQEYMECFSA-N 0 0 521.614 2.772 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccc(C)cc2)c1 ZINC000035987763 554122031 /nfs/dbraw/zinc/12/20/31/554122031.db2.gz ZPJYOSCGNJRRTK-LOSJGSFVSA-N 0 0 521.614 2.772 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccc(C)cc2)c1 ZINC000035987764 554121945 /nfs/dbraw/zinc/12/19/45/554121945.db2.gz ZPJYOSCGNJRRTK-RPBOFIJWSA-N 0 0 521.614 2.772 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccc(C)cc2)c1 ZINC000035987765 554121957 /nfs/dbraw/zinc/12/19/57/554121957.db2.gz ZPJYOSCGNJRRTK-JWQCQUIFSA-N 0 0 521.614 2.772 50 0 KFAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000035987766 554121984 /nfs/dbraw/zinc/12/19/84/554121984.db2.gz TYMUBHUDDIAMNV-QFIPXVFZSA-N 0 0 507.587 2.969 50 0 KFAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000035987767 554122050 /nfs/dbraw/zinc/12/20/50/554122050.db2.gz TYMUBHUDDIAMNV-JOCHJYFZSA-N 0 0 507.587 2.969 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccccc2C)c1 ZINC000035987832 554122247 /nfs/dbraw/zinc/12/22/47/554122247.db2.gz MCVVSTGUQZNUMJ-ZCYQVOJMSA-N 0 0 521.614 2.772 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccccc2C)c1 ZINC000035987833 554122303 /nfs/dbraw/zinc/12/23/03/554122303.db2.gz MCVVSTGUQZNUMJ-UKILVPOCSA-N 0 0 521.614 2.772 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccccc2C)c1 ZINC000035987834 554122296 /nfs/dbraw/zinc/12/22/96/554122296.db2.gz MCVVSTGUQZNUMJ-NOZRDPDXSA-N 0 0 521.614 2.772 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccccc2C)c1 ZINC000035987835 554122325 /nfs/dbraw/zinc/12/23/25/554122325.db2.gz MCVVSTGUQZNUMJ-ILBGXUMGSA-N 0 0 521.614 2.772 50 0 KFAARN COc1cc(-c2ncc(C(=O)NCCN3CCOCC3)c(N(C)Cc3ccccc3)n2)cc(OC)c1OC ZINC000035987916 554122434 /nfs/dbraw/zinc/12/24/34/554122434.db2.gz SHQSTJIAYSXNGU-UHFFFAOYSA-N 0 0 521.618 2.868 50 0 KFAARN O=C(NCc1ccccc1)[C@@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccco1 ZINC000035988245 554122465 /nfs/dbraw/zinc/12/24/65/554122465.db2.gz CCIUNUVDRVIUJS-NRFANRHFSA-N 0 0 517.538 2.798 50 0 KFAARN O=C(NCc1ccccc1)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccco1 ZINC000035988246 554122474 /nfs/dbraw/zinc/12/24/74/554122474.db2.gz CCIUNUVDRVIUJS-OAQYLSRUSA-N 0 0 517.538 2.798 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccco2)cc1OC ZINC000035988265 554122524 /nfs/dbraw/zinc/12/25/24/554122524.db2.gz YMXNTBKCTAUKAY-FQEVSTJZSA-N 0 0 523.542 2.680 50 0 KFAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccco2)cc1OC ZINC000035988266 554122490 /nfs/dbraw/zinc/12/24/90/554122490.db2.gz YMXNTBKCTAUKAY-HXUWFJFHSA-N 0 0 523.542 2.680 50 0 KFAARN O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989893 554122841 /nfs/dbraw/zinc/12/28/41/554122841.db2.gz CYNAICCOVWKJDM-GOTSBHOMSA-N 0 0 513.541 2.734 50 0 KFAARN O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989894 554122918 /nfs/dbraw/zinc/12/29/18/554122918.db2.gz CYNAICCOVWKJDM-XZOQPEGZSA-N 0 0 513.541 2.734 50 0 KFAARN O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989895 554122806 /nfs/dbraw/zinc/12/28/06/554122806.db2.gz CYNAICCOVWKJDM-PKTZIBPZSA-N 0 0 513.541 2.734 50 0 KFAARN O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989896 554122940 /nfs/dbraw/zinc/12/29/40/554122940.db2.gz CYNAICCOVWKJDM-DHIUTWEWSA-N 0 0 513.541 2.734 50 0 KFAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989904 554122944 /nfs/dbraw/zinc/12/29/44/554122944.db2.gz NULUYKIVQAKSND-NRFANRHFSA-N 0 0 503.958 2.715 50 0 KFAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989905 554122837 /nfs/dbraw/zinc/12/28/37/554122837.db2.gz NULUYKIVQAKSND-OAQYLSRUSA-N 0 0 503.958 2.715 50 0 KFAARN O=C(c1cccc(F)c1)N1[C@H](C(=O)N2CCOCC2)COC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000035989916 554123115 /nfs/dbraw/zinc/12/31/15/554123115.db2.gz BXZJJCXFIVFTJM-QFIPXVFZSA-N 0 0 515.969 2.811 50 0 KFAARN O=C(c1cccc(F)c1)N1[C@@H](C(=O)N2CCOCC2)COC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000035989917 554123161 /nfs/dbraw/zinc/12/31/61/554123161.db2.gz BXZJJCXFIVFTJM-JOCHJYFZSA-N 0 0 515.969 2.811 50 0 KFAARN CN1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4ccccc4Cl)CC3)N2C(=O)c2cccc(F)c2)CC1 ZINC000035989918 554123034 /nfs/dbraw/zinc/12/30/34/554123034.db2.gz PKUGMLDRXZYTFE-QHCPKHFHSA-N 0 0 529.012 2.727 50 0 KFAARN CN1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccccc4Cl)CC3)N2C(=O)c2cccc(F)c2)CC1 ZINC000035989919 554123097 /nfs/dbraw/zinc/12/30/97/554123097.db2.gz PKUGMLDRXZYTFE-HSZRJFAPSA-N 0 0 529.012 2.727 50 0 KFAARN O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989930 554123053 /nfs/dbraw/zinc/12/30/53/554123053.db2.gz BXDNHMBOBQNUAF-REWPJTCUSA-N 0 0 513.541 2.734 50 0 KFAARN O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989931 554123062 /nfs/dbraw/zinc/12/30/62/554123062.db2.gz BXDNHMBOBQNUAF-NZQKXSOJSA-N 0 0 513.541 2.734 50 0 KFAARN O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989932 554123041 /nfs/dbraw/zinc/12/30/41/554123041.db2.gz BXDNHMBOBQNUAF-OFNKIYASSA-N 0 0 513.541 2.734 50 0 KFAARN O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989933 554123174 /nfs/dbraw/zinc/12/31/74/554123174.db2.gz BXDNHMBOBQNUAF-NFBKMPQASA-N 0 0 513.541 2.734 50 0 KFAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989938 554123169 /nfs/dbraw/zinc/12/31/69/554123169.db2.gz WHEDKTQWIVCHQF-NRFANRHFSA-N 0 0 503.958 2.715 50 0 KFAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989939 554123138 /nfs/dbraw/zinc/12/31/38/554123138.db2.gz WHEDKTQWIVCHQF-OAQYLSRUSA-N 0 0 503.958 2.715 50 0 KFAARN CN1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4ccc(Cl)cc4)CC3)N2C(=O)c2cccc(F)c2)CC1 ZINC000035989948 554123143 /nfs/dbraw/zinc/12/31/43/554123143.db2.gz XZPATEQRTMBDNP-QHCPKHFHSA-N 0 0 529.012 2.727 50 0 KFAARN CN1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccc(Cl)cc4)CC3)N2C(=O)c2cccc(F)c2)CC1 ZINC000035989949 554123151 /nfs/dbraw/zinc/12/31/51/554123151.db2.gz XZPATEQRTMBDNP-HSZRJFAPSA-N 0 0 529.012 2.727 50 0 KFAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NC[C@@H]1CCCO1)N2C(=O)c1cccc(F)c1 ZINC000035989960 554123091 /nfs/dbraw/zinc/12/30/91/554123091.db2.gz VOBCRFFOHALUAT-UPVQGACJSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NC[C@@H]1CCCO1)N2C(=O)c1cccc(F)c1 ZINC000035989961 554123106 /nfs/dbraw/zinc/12/31/06/554123106.db2.gz VOBCRFFOHALUAT-LADGPHEKSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NC[C@H]1CCCO1)N2C(=O)c1cccc(F)c1 ZINC000035989963 554123050 /nfs/dbraw/zinc/12/30/50/554123050.db2.gz VOBCRFFOHALUAT-VWNXMTODSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NC[C@H]1CCCO1)N2C(=O)c1cccc(F)c1 ZINC000035989964 554123110 /nfs/dbraw/zinc/12/31/10/554123110.db2.gz VOBCRFFOHALUAT-ISKFKSNPSA-N 0 0 509.578 2.903 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2cccc(F)c2)c1 ZINC000035989971 554123032 /nfs/dbraw/zinc/12/30/32/554123032.db2.gz VXDZNWXDKOZEQT-ZEQRLZLVSA-N 0 0 525.577 2.603 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2cccc(F)c2)c1 ZINC000035989972 554123525 /nfs/dbraw/zinc/12/35/25/554123525.db2.gz VXDZNWXDKOZEQT-BJKOFHAPSA-N 0 0 525.577 2.603 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2cccc(F)c2)c1 ZINC000035989973 554123398 /nfs/dbraw/zinc/12/33/98/554123398.db2.gz VXDZNWXDKOZEQT-RPWUZVMVSA-N 0 0 525.577 2.603 50 0 KFAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2cccc(F)c2)c1 ZINC000035989974 554123484 /nfs/dbraw/zinc/12/34/84/554123484.db2.gz VXDZNWXDKOZEQT-DNQXCXABSA-N 0 0 525.577 2.603 50 0 KFAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989981 554123506 /nfs/dbraw/zinc/12/35/06/554123506.db2.gz HGCJLHJKYLFWEB-NRFANRHFSA-N 0 0 503.958 2.715 50 0 KFAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989982 554123470 /nfs/dbraw/zinc/12/34/70/554123470.db2.gz HGCJLHJKYLFWEB-OAQYLSRUSA-N 0 0 503.958 2.715 50 0 KFAARN O=C(c1cccc(F)c1)N1[C@H](C(=O)N2CCOCC2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000035989991 554123421 /nfs/dbraw/zinc/12/34/21/554123421.db2.gz OSZCIHWOPHLKML-QFIPXVFZSA-N 0 0 515.969 2.811 50 0 KFAARN O=C(c1cccc(F)c1)N1[C@@H](C(=O)N2CCOCC2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000035989992 554123475 /nfs/dbraw/zinc/12/34/75/554123475.db2.gz OSZCIHWOPHLKML-JOCHJYFZSA-N 0 0 515.969 2.811 50 0 KFAARN COc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035990066 554123452 /nfs/dbraw/zinc/12/34/52/554123452.db2.gz HGXUICNFTOFYTD-URXFXBBRSA-N 0 0 525.577 2.603 50 0 KFAARN COc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035990067 554123409 /nfs/dbraw/zinc/12/34/09/554123409.db2.gz HGXUICNFTOFYTD-XUZZJYLKSA-N 0 0 525.577 2.603 50 0 KFAARN COc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035990068 554123520 /nfs/dbraw/zinc/12/35/20/554123520.db2.gz HGXUICNFTOFYTD-QPPBQGQZSA-N 0 0 525.577 2.603 50 0 KFAARN COc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035990070 554123499 /nfs/dbraw/zinc/12/34/99/554123499.db2.gz HGXUICNFTOFYTD-ZJSXRUAMSA-N 0 0 525.577 2.603 50 0 KFAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(OC)c1 ZINC000035990089 554123681 /nfs/dbraw/zinc/12/36/81/554123681.db2.gz UYPIBFFKOJEMDY-QFIPXVFZSA-N 0 0 515.994 2.585 50 0 KFAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(OC)c1 ZINC000035990090 554123640 /nfs/dbraw/zinc/12/36/40/554123640.db2.gz UYPIBFFKOJEMDY-JOCHJYFZSA-N 0 0 515.994 2.585 50 0 KFAARN CCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3c(OC)cccc3OC)CC2)N1C(=O)c1cccc(OC)c1 ZINC000035990105 554123787 /nfs/dbraw/zinc/12/37/87/554123787.db2.gz OKTIUYPAARYJHN-NRFANRHFSA-N 0 0 525.602 2.712 50 0 KFAARN CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3c(OC)cccc3OC)CC2)N1C(=O)c1cccc(OC)c1 ZINC000035990106 554123671 /nfs/dbraw/zinc/12/36/71/554123671.db2.gz OKTIUYPAARYJHN-OAQYLSRUSA-N 0 0 525.602 2.712 50 0 KFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000035991052 554123746 /nfs/dbraw/zinc/12/37/46/554123746.db2.gz UTGFMQQUXOGBNO-QHCPKHFHSA-N 0 0 503.596 2.882 50 0 KFAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035991053 554123728 /nfs/dbraw/zinc/12/37/28/554123728.db2.gz UTGFMQQUXOGBNO-HSZRJFAPSA-N 0 0 503.596 2.882 50 0 KFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000035991056 554123629 /nfs/dbraw/zinc/12/36/29/554123629.db2.gz IRKYFZWHQWLWLN-MBSDFSHPSA-N 0 0 503.596 2.882 50 0 KFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035991057 554123707 /nfs/dbraw/zinc/12/37/07/554123707.db2.gz IRKYFZWHQWLWLN-FDDCHVKYSA-N 0 0 503.596 2.882 50 0 KFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000035991152 554123653 /nfs/dbraw/zinc/12/36/53/554123653.db2.gz LYRKFAIRPPQMQB-JTSKRJEESA-N 0 0 503.596 2.882 50 0 KFAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000035991153 554123696 /nfs/dbraw/zinc/12/36/96/554123696.db2.gz LYRKFAIRPPQMQB-HTAPYJJXSA-N 0 0 503.596 2.882 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000035991822 554124360 /nfs/dbraw/zinc/12/43/60/554124360.db2.gz DAYDHRVMHCEHCS-HSZRJFAPSA-N 0 0 528.631 2.737 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000035991823 554124295 /nfs/dbraw/zinc/12/42/95/554124295.db2.gz DAYDHRVMHCEHCS-QHCPKHFHSA-N 0 0 528.631 2.737 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000035991826 554124372 /nfs/dbraw/zinc/12/43/72/554124372.db2.gz GMFYJJUFILWTGB-RUZDIDTESA-N 0 0 522.602 2.675 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000035991827 554124292 /nfs/dbraw/zinc/12/42/92/554124292.db2.gz GMFYJJUFILWTGB-VWLOTQADSA-N 0 0 522.602 2.675 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000035991858 554124267 /nfs/dbraw/zinc/12/42/67/554124267.db2.gz OJAWKAUNZDQTLU-DEOSSOPVSA-N 0 0 514.623 2.552 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035991859 554124334 /nfs/dbraw/zinc/12/43/34/554124334.db2.gz OJAWKAUNZDQTLU-XMMPIXPASA-N 0 0 514.623 2.552 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035991870 554124366 /nfs/dbraw/zinc/12/43/66/554124366.db2.gz HSEXVZDQABMKJC-HSZRJFAPSA-N 0 0 528.631 2.737 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000035991871 554124383 /nfs/dbraw/zinc/12/43/83/554124383.db2.gz HSEXVZDQABMKJC-QHCPKHFHSA-N 0 0 528.631 2.737 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035991874 554124314 /nfs/dbraw/zinc/12/43/14/554124314.db2.gz LLBBMIYWFFJCOV-RUZDIDTESA-N 0 0 522.602 2.675 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000035991875 554124298 /nfs/dbraw/zinc/12/42/98/554124298.db2.gz LLBBMIYWFFJCOV-VWLOTQADSA-N 0 0 522.602 2.675 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035992213 554125275 /nfs/dbraw/zinc/12/52/75/554125275.db2.gz LVCZCMGRDQGGRQ-RUZDIDTESA-N 0 0 506.603 2.975 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035992214 554125580 /nfs/dbraw/zinc/12/55/80/554125580.db2.gz LVCZCMGRDQGGRQ-VWLOTQADSA-N 0 0 506.603 2.975 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035992229 554125668 /nfs/dbraw/zinc/12/56/68/554125668.db2.gz UAXJIWGSZHMHQH-RUZDIDTESA-N 0 0 506.603 2.975 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035992230 554125663 /nfs/dbraw/zinc/12/56/63/554125663.db2.gz UAXJIWGSZHMHQH-VWLOTQADSA-N 0 0 506.603 2.975 50 0 KFAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2CC)CC1 ZINC000035992239 554125569 /nfs/dbraw/zinc/12/55/69/554125569.db2.gz NVRAYEAPWGVOBE-FQEVSTJZSA-N 0 0 511.545 2.956 50 0 KFAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2CC)CC1 ZINC000035992240 554125627 /nfs/dbraw/zinc/12/56/27/554125627.db2.gz NVRAYEAPWGVOBE-HXUWFJFHSA-N 0 0 511.545 2.956 50 0 KFAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2C)C[C@@H]1C ZINC000035992245 554125612 /nfs/dbraw/zinc/12/56/12/554125612.db2.gz GCYZFAIRLOICSA-YWZLYKJASA-N 0 0 511.545 2.954 50 0 KFAARN 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CCOC(=O)C1=C(CN2CCCN(C(=O)CC)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036017210 554136254 /nfs/dbraw/zinc/13/62/54/554136254.db2.gz HFOXYJGKQITTCE-XMMPIXPASA-N 0 0 502.612 2.552 50 0 KFAARN CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3OC)NC(=O)N2CC)CC1 ZINC000036017316 554136319 /nfs/dbraw/zinc/13/63/19/554136319.db2.gz OUELQKOVDZIANE-QHCPKHFHSA-N 0 0 531.654 2.735 50 0 KFAARN CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(OC)c3OC)NC(=O)N2CC)CC1 ZINC000036017318 554136259 /nfs/dbraw/zinc/13/62/59/554136259.db2.gz OUELQKOVDZIANE-HSZRJFAPSA-N 0 0 531.654 2.735 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036017320 554136638 /nfs/dbraw/zinc/13/66/38/554136638.db2.gz OHXNCBAXANWZAV-QHCPKHFHSA-N 0 0 531.654 2.733 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036017322 554136657 /nfs/dbraw/zinc/13/66/57/554136657.db2.gz OHXNCBAXANWZAV-HSZRJFAPSA-N 0 0 531.654 2.733 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036017328 554136586 /nfs/dbraw/zinc/13/65/86/554136586.db2.gz LYQCMYCQAJCOBR-KOSHJBKYSA-N 0 0 531.654 2.731 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036017330 554136556 /nfs/dbraw/zinc/13/65/56/554136556.db2.gz LYQCMYCQAJCOBR-HOYKHHGWSA-N 0 0 531.654 2.731 50 0 KFAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036017339 554136681 /nfs/dbraw/zinc/13/66/81/554136681.db2.gz ALERQFQEVDEEFA-DEOSSOPVSA-N 0 0 531.654 2.733 50 0 KFAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036017341 554136670 /nfs/dbraw/zinc/13/66/70/554136670.db2.gz ALERQFQEVDEEFA-XMMPIXPASA-N 0 0 531.654 2.733 50 0 KFAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3)NC(=O)N2CC)C[C@@H]1C ZINC000036017402 554136707 /nfs/dbraw/zinc/13/67/07/554136707.db2.gz MTQATOWCQYFYTJ-MBSDFSHPSA-N 0 0 501.628 2.724 50 0 KFAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3)NC(=O)N2CC)C[C@H]1C ZINC000036017404 554136703 /nfs/dbraw/zinc/13/67/03/554136703.db2.gz MTQATOWCQYFYTJ-JPYJTQIMSA-N 0 0 501.628 2.724 50 0 KFAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036017406 554136648 /nfs/dbraw/zinc/13/66/48/554136648.db2.gz XTSURIOCBDTVEG-QHCPKHFHSA-N 0 0 501.628 2.724 50 0 KFAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036017408 554136693 /nfs/dbraw/zinc/13/66/93/554136693.db2.gz XTSURIOCBDTVEG-HSZRJFAPSA-N 0 0 501.628 2.724 50 0 KFAARN CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017415 554136629 /nfs/dbraw/zinc/13/66/29/554136629.db2.gz FHKXGHAQLJJQLC-QHCPKHFHSA-N 0 0 501.628 2.726 50 0 KFAARN CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017417 554136578 /nfs/dbraw/zinc/13/65/78/554136578.db2.gz FHKXGHAQLJJQLC-HSZRJFAPSA-N 0 0 501.628 2.726 50 0 KFAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000036017544 554136907 /nfs/dbraw/zinc/13/69/07/554136907.db2.gz ABCNRHGBGFDLGI-NRFANRHFSA-N 0 0 503.958 2.715 50 0 KFAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000036017546 554136973 /nfs/dbraw/zinc/13/69/73/554136973.db2.gz ABCNRHGBGFDLGI-OAQYLSRUSA-N 0 0 503.958 2.715 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000036017576 554136911 /nfs/dbraw/zinc/13/69/11/554136911.db2.gz VMBCDNUGHSWMHM-DQEYMECFSA-N 0 0 521.614 2.772 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000036017579 554136965 /nfs/dbraw/zinc/13/69/65/554136965.db2.gz VMBCDNUGHSWMHM-LOSJGSFVSA-N 0 0 521.614 2.772 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000036017581 554136888 /nfs/dbraw/zinc/13/68/88/554136888.db2.gz VMBCDNUGHSWMHM-RPBOFIJWSA-N 0 0 521.614 2.772 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000036017584 554136954 /nfs/dbraw/zinc/13/69/54/554136954.db2.gz VMBCDNUGHSWMHM-JWQCQUIFSA-N 0 0 521.614 2.772 50 0 KFAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000036017909 554136962 /nfs/dbraw/zinc/13/69/62/554136962.db2.gz AYTXIXQGXYSVPN-ZEQRLZLVSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000036017911 554136876 /nfs/dbraw/zinc/13/68/76/554136876.db2.gz AYTXIXQGXYSVPN-BJKOFHAPSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000036017913 554136939 /nfs/dbraw/zinc/13/69/39/554136939.db2.gz AYTXIXQGXYSVPN-RPWUZVMVSA-N 0 0 509.578 2.903 50 0 KFAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000036017916 554136918 /nfs/dbraw/zinc/13/69/18/554136918.db2.gz AYTXIXQGXYSVPN-DNQXCXABSA-N 0 0 509.578 2.903 50 0 KFAARN COc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000036018563 554137185 /nfs/dbraw/zinc/13/71/85/554137185.db2.gz KAADIVPJCJVLPD-ZEQRLZLVSA-N 0 0 525.577 2.603 50 0 KFAARN COc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000036018565 554137231 /nfs/dbraw/zinc/13/72/31/554137231.db2.gz KAADIVPJCJVLPD-BJKOFHAPSA-N 0 0 525.577 2.603 50 0 KFAARN COc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000036018568 554137229 /nfs/dbraw/zinc/13/72/29/554137229.db2.gz KAADIVPJCJVLPD-RPWUZVMVSA-N 0 0 525.577 2.603 50 0 KFAARN COc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000036018570 554137132 /nfs/dbraw/zinc/13/71/32/554137132.db2.gz KAADIVPJCJVLPD-DNQXCXABSA-N 0 0 525.577 2.603 50 0 KFAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccco4)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000036019275 554137727 /nfs/dbraw/zinc/13/77/27/554137727.db2.gz WOPQPBNHPJMDDP-UHFFFAOYSA-N 0 0 518.570 2.975 50 0 KFAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)NC(C)C)CC3)c(C(=O)N3CCOCC3)c2)c1 ZINC000036019544 554138834 /nfs/dbraw/zinc/13/88/34/554138834.db2.gz ILRFBTXJVSIASI-UHFFFAOYSA-N 0 0 509.607 2.660 50 0 KFAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1 ZINC000036020662 554139294 /nfs/dbraw/zinc/13/92/94/554139294.db2.gz GQJBRMHCOSXYDI-SANMLTNESA-N 0 0 528.609 2.809 50 0 KFAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1 ZINC000036020663 554139380 /nfs/dbraw/zinc/13/93/80/554139380.db2.gz GQJBRMHCOSXYDI-AREMUKBSSA-N 0 0 528.609 2.809 50 0 KFAARN COc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1 ZINC000036020846 554139612 /nfs/dbraw/zinc/13/96/12/554139612.db2.gz DXDLNLVRFWIMJK-VXKWHMMOSA-N 0 0 501.624 2.586 50 0 KFAARN COc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1 ZINC000036020847 554139588 /nfs/dbraw/zinc/13/95/88/554139588.db2.gz DXDLNLVRFWIMJK-FCHUYYIVSA-N 0 0 501.624 2.586 50 0 KFAARN COc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1 ZINC000036020848 554139533 /nfs/dbraw/zinc/13/95/33/554139533.db2.gz DXDLNLVRFWIMJK-YADHBBJMSA-N 0 0 501.624 2.586 50 0 KFAARN COc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1 ZINC000036020849 554139619 /nfs/dbraw/zinc/13/96/19/554139619.db2.gz DXDLNLVRFWIMJK-FGZHOGPDSA-N 0 0 501.624 2.586 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036021147 554139542 /nfs/dbraw/zinc/13/95/42/554139542.db2.gz VOAKPIWRUJYHDK-QFIPXVFZSA-N 0 0 531.654 2.733 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000036021148 554139546 /nfs/dbraw/zinc/13/95/46/554139546.db2.gz VOAKPIWRUJYHDK-JOCHJYFZSA-N 0 0 531.654 2.733 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000036024712 554140127 /nfs/dbraw/zinc/14/01/27/554140127.db2.gz VQWDOBLXDGMSRJ-QHCPKHFHSA-N 0 0 531.654 2.733 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000036024713 554140169 /nfs/dbraw/zinc/14/01/69/554140169.db2.gz VQWDOBLXDGMSRJ-HSZRJFAPSA-N 0 0 531.654 2.733 50 0 KFAARN COCC(=O)Nc1ccc(N2CCCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCOCC2)c1 ZINC000036025876 554140470 /nfs/dbraw/zinc/14/04/70/554140470.db2.gz SLROOSQUUULPEX-UHFFFAOYSA-N 0 0 513.570 2.627 50 0 KFAARN COc1ccc(CCN2C(=O)[C@@H](C)NC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1OC ZINC000036027132 554140723 /nfs/dbraw/zinc/14/07/23/554140723.db2.gz RBPDNGRYOFICNW-QGZVFWFLSA-N 0 0 508.040 2.901 50 0 KFAARN COc1ccc(CCN2C(=O)[C@H](C)NC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1OC ZINC000036027133 554140673 /nfs/dbraw/zinc/14/06/73/554140673.db2.gz RBPDNGRYOFICNW-KRWDZBQOSA-N 0 0 508.040 2.901 50 0 KFAARN COc1ccc(CCN2C(=O)[C@@H](C)NC23CCN(S(=O)(=O)c2cccc(Cl)c2)CC3)cc1OC ZINC000036027142 554140634 /nfs/dbraw/zinc/14/06/34/554140634.db2.gz BQIYRBSEFNVYFJ-QGZVFWFLSA-N 0 0 508.040 2.901 50 0 KFAARN COc1ccc(CCN2C(=O)[C@H](C)NC23CCN(S(=O)(=O)c2cccc(Cl)c2)CC3)cc1OC ZINC000036027143 554140704 /nfs/dbraw/zinc/14/07/04/554140704.db2.gz BQIYRBSEFNVYFJ-KRWDZBQOSA-N 0 0 508.040 2.901 50 0 KFAARN O=C1[C@@H](Cc2ccccc2)NC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1CCc1ccccn1 ZINC000036027262 554140644 /nfs/dbraw/zinc/14/06/44/554140644.db2.gz KBADYZOIJSKLJB-RUZDIDTESA-N 0 0 508.619 2.987 50 0 KFAARN O=C1[C@H](Cc2ccccc2)NC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1CCc1ccccn1 ZINC000036027263 554140826 /nfs/dbraw/zinc/14/08/26/554140826.db2.gz KBADYZOIJSKLJB-VWLOTQADSA-N 0 0 508.619 2.987 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@H](CC(C)C)C(=O)N3Cc2ccc3c(c2)OCO3)cc1 ZINC000036029906 554142175 /nfs/dbraw/zinc/14/21/75/554142175.db2.gz SKMFBSOTSAXHLX-JOCHJYFZSA-N 0 0 515.632 2.951 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@@H](CC(C)C)C(=O)N3Cc2ccc3c(c2)OCO3)cc1 ZINC000036029907 554142180 /nfs/dbraw/zinc/14/21/80/554142180.db2.gz SKMFBSOTSAXHLX-QFIPXVFZSA-N 0 0 515.632 2.951 50 0 KFAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=O)c1ccc(OC)cc1 ZINC000036030270 554142753 /nfs/dbraw/zinc/14/27/53/554142753.db2.gz BLOGYIDZHAPYTK-UHFFFAOYSA-N 0 0 501.605 2.801 50 0 KFAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=O)c1ccc2c(c1)OCO2 ZINC000036030280 554142774 /nfs/dbraw/zinc/14/27/74/554142774.db2.gz AKPZJUZBVQRWDQ-UHFFFAOYSA-N 0 0 515.588 2.521 50 0 KFAARN COCCn1c(CN(CCN(C)C)C(=O)c2cccc(F)c2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030320 554142733 /nfs/dbraw/zinc/14/27/33/554142733.db2.gz PPABSKKEDUYHKV-UHFFFAOYSA-N 0 0 502.612 2.847 50 0 KFAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC)C(=O)c1ccc(F)cc1 ZINC000036030395 554143024 /nfs/dbraw/zinc/14/30/24/554143024.db2.gz NSGUOBABUBWHSP-UHFFFAOYSA-N 0 0 519.595 2.940 50 0 KFAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC)C(=O)c1ccccc1 ZINC000036030398 554143031 /nfs/dbraw/zinc/14/30/31/554143031.db2.gz IUCXEZRURHAGEO-UHFFFAOYSA-N 0 0 501.605 2.801 50 0 KFAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC)C(=O)c1ccccc1F 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554149888 /nfs/dbraw/zinc/14/98/88/554149888.db2.gz NDEPINJCSNRCNX-UHFFFAOYSA-N 0 0 521.753 2.850 50 0 KFAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(CCN2CCOCC2)C(=S)NC2CC2)n1CC(C)C ZINC000036040632 554149838 /nfs/dbraw/zinc/14/98/38/554149838.db2.gz IXCCVIZVGLVUOF-UHFFFAOYSA-N 0 0 533.764 2.993 50 0 KFAARN CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCOCC4)n3)o2)CC1 ZINC000036040890 554150377 /nfs/dbraw/zinc/15/03/77/554150377.db2.gz LESZPMBJZIGJHI-UHFFFAOYSA-N 0 0 504.609 2.760 50 0 KFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCOCC4)n3)o2)C1 ZINC000036040891 554150496 /nfs/dbraw/zinc/15/04/96/554150496.db2.gz MRULEWKBQGYXQD-QGZVFWFLSA-N 0 0 504.609 2.760 50 0 KFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCOCC4)n3)o2)C1 ZINC000036040892 554150474 /nfs/dbraw/zinc/15/04/74/554150474.db2.gz MRULEWKBQGYXQD-KRWDZBQOSA-N 0 0 504.609 2.760 50 0 KFAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCC(C)C)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000036044724 554152406 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KFAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066275 554165354 /nfs/dbraw/zinc/16/53/54/554165354.db2.gz LUIGVWKDLVXKAA-QWPPCQAFSA-N 0 0 511.619 2.660 50 0 biogenic KFAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066276 554165298 /nfs/dbraw/zinc/16/52/98/554165298.db2.gz LUIGVWKDLVXKAA-AEQXRQRWSA-N 0 0 511.619 2.660 50 0 biogenic KFAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066291 554165339 /nfs/dbraw/zinc/16/53/39/554165339.db2.gz UZEWJKOIAWPAGD-QWPPCQAFSA-N 0 0 511.619 2.660 50 0 biogenic KFAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066292 554165288 /nfs/dbraw/zinc/16/52/88/554165288.db2.gz UZEWJKOIAWPAGD-AEQXRQRWSA-N 0 0 511.619 2.660 50 0 biogenic KFAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066303 554165342 /nfs/dbraw/zinc/16/53/42/554165342.db2.gz LQLPSFCMJKQOPS-IPPNUHETSA-N 0 0 502.011 2.915 50 0 biogenic KFAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066304 554165262 /nfs/dbraw/zinc/16/52/62/554165262.db2.gz LQLPSFCMJKQOPS-WGMIXOHXSA-N 0 0 502.011 2.915 50 0 biogenic KFAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066315 554165273 /nfs/dbraw/zinc/16/52/73/554165273.db2.gz OWQWMCYXMNUFRU-IPPNUHETSA-N 0 0 502.011 2.915 50 0 biogenic KFAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066316 554165280 /nfs/dbraw/zinc/16/52/80/554165280.db2.gz OWQWMCYXMNUFRU-WGMIXOHXSA-N 0 0 502.011 2.915 50 0 biogenic KFAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066374 554165481 /nfs/dbraw/zinc/16/54/81/554165481.db2.gz OVFWLUYGALYRQV-UETMDFGDSA-N 0 0 513.660 2.983 50 0 biogenic KFAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066375 554165521 /nfs/dbraw/zinc/16/55/21/554165521.db2.gz OVFWLUYGALYRQV-ZKWJSJOJSA-N 0 0 513.660 2.983 50 0 biogenic KFAARN COc1cccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036068185 554165532 /nfs/dbraw/zinc/16/55/32/554165532.db2.gz GDUAODPHGWSJDH-UHFFFAOYSA-N 0 0 508.575 2.676 50 0 KFAARN COc1cccc(CN(Cc2nc(C(=O)N3CCN(C(C)=O)CC3)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036068255 554165485 /nfs/dbraw/zinc/16/54/85/554165485.db2.gz MVPZRABGZGATNO-UHFFFAOYSA-N 0 0 506.559 2.919 50 0 KFAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccccc4)CC3)nn2)cc1 ZINC000036069395 554166382 /nfs/dbraw/zinc/16/63/82/554166382.db2.gz NAYJZACNYWZVKU-UHFFFAOYSA-N 0 0 528.657 2.575 50 0 KFAARN COCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)Cc1ccc2c(c1)OCO2 ZINC000036069708 554166626 /nfs/dbraw/zinc/16/66/26/554166626.db2.gz ZSTXQQUMXIVKRR-UHFFFAOYSA-N 0 0 517.586 2.505 50 0 KFAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccco4)CC3)nn2)cc1 ZINC000036069970 554166924 /nfs/dbraw/zinc/16/69/24/554166924.db2.gz UHDMPZGCRVSUDH-UHFFFAOYSA-N 0 0 532.645 2.558 50 0 KFAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)CC(C)C)CC3)nn2)cc1 ZINC000036069982 554166891 /nfs/dbraw/zinc/16/68/91/554166891.db2.gz QCUFQAHSCVBIKY-UHFFFAOYSA-N 0 0 522.694 2.698 50 0 KFAARN COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(C)cc1 ZINC000036070242 554167068 /nfs/dbraw/zinc/16/70/68/554167068.db2.gz GFRGDEBBGNWJKK-UHFFFAOYSA-N 0 0 533.629 2.907 50 0 KFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)C4CC4)CC3)nn2)c(OC)c1 ZINC000036070257 554167107 /nfs/dbraw/zinc/16/71/07/554167107.db2.gz QVWAKOMUZJQFAG-UHFFFAOYSA-N 0 0 505.575 2.841 50 0 KFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)C4CCC4)CC3)nn2)c(OC)c1 ZINC000036070329 554167065 /nfs/dbraw/zinc/16/70/65/554167065.db2.gz JNOPSSCNPKGNRG-QFIPXVFZSA-N 0 0 523.634 2.617 50 0 KFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)C4CCC4)CC3)nn2)c(OC)c1 ZINC000036070332 554167072 /nfs/dbraw/zinc/16/70/72/554167072.db2.gz JNOPSSCNPKGNRG-JOCHJYFZSA-N 0 0 523.634 2.617 50 0 KFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)CC(C)C)CC3)nn2)c(OC)c1 ZINC000036070335 554167061 /nfs/dbraw/zinc/16/70/61/554167061.db2.gz KDPWQHXXPDWTPV-QFIPXVFZSA-N 0 0 525.650 2.863 50 0 KFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)CC(C)C)CC3)nn2)c(OC)c1 ZINC000036070337 554167119 /nfs/dbraw/zinc/16/71/19/554167119.db2.gz KDPWQHXXPDWTPV-JOCHJYFZSA-N 0 0 525.650 2.863 50 0 KFAARN CCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000036070453 554167397 /nfs/dbraw/zinc/16/73/97/554167397.db2.gz NFAGPZRJDLOBGZ-UHFFFAOYSA-N 0 0 509.632 2.820 50 0 KFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(C)=O)CC3)nn2)cc1 ZINC000036071314 554168626 /nfs/dbraw/zinc/16/86/26/554168626.db2.gz DMQMKHXNVYNFCR-UHFFFAOYSA-N 0 0 503.559 2.578 50 0 KFAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000036071344 554168602 /nfs/dbraw/zinc/16/86/02/554168602.db2.gz UPNISMMFNCTRDW-UHFFFAOYSA-N 0 0 533.629 2.988 50 0 KFAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(OC)cc1 ZINC000036071436 554168910 /nfs/dbraw/zinc/16/89/10/554168910.db2.gz GMMNMVFZLMIDBR-UHFFFAOYSA-N 0 0 533.629 2.988 50 0 KFAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1 ZINC000036071437 554168902 /nfs/dbraw/zinc/16/89/02/554168902.db2.gz LAAULQZGQNCCRN-UHFFFAOYSA-N 0 0 503.603 2.980 50 0 KFAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000036071441 554168822 /nfs/dbraw/zinc/16/88/22/554168822.db2.gz BKGJQWXPCZNCKQ-UHFFFAOYSA-N 0 0 533.629 2.988 50 0 KFAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)C4CCC4)CC3)nn2)c1 ZINC000036071533 554169346 /nfs/dbraw/zinc/16/93/46/554169346.db2.gz INWTYESGWNKXRP-DEOSSOPVSA-N 0 0 507.635 2.999 50 0 KFAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C[C@H]4CCCO4)C(=O)C4CCC4)CC3)nn2)c1 ZINC000036071534 554169258 /nfs/dbraw/zinc/16/92/58/554169258.db2.gz INWTYESGWNKXRP-XMMPIXPASA-N 0 0 507.635 2.999 50 0 KFAARN CCCNC(=O)N(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C[C@@H]1CCCO1 ZINC000036071646 554169609 /nfs/dbraw/zinc/16/96/09/554169609.db2.gz FHDBNCLQZHOXLU-QHCPKHFHSA-N 0 0 510.639 2.792 50 0 KFAARN CCCNC(=O)N(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C[C@H]1CCCO1 ZINC000036071647 554169579 /nfs/dbraw/zinc/16/95/79/554169579.db2.gz FHDBNCLQZHOXLU-HSZRJFAPSA-N 0 0 510.639 2.792 50 0 KFAARN COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1cccs1 ZINC000036072779 554170333 /nfs/dbraw/zinc/17/03/33/554170333.db2.gz ZBSUYCZQFMUAJQ-UHFFFAOYSA-N 0 0 525.631 2.660 50 0 KFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)C4CC4)CC3)nn2)cc1OC ZINC000036072789 554170321 /nfs/dbraw/zinc/17/03/21/554170321.db2.gz YUTKUDASFBWXQQ-UHFFFAOYSA-N 0 0 505.575 2.841 50 0 KFAARN CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)Cc1ccccc1 ZINC000036072839 554170663 /nfs/dbraw/zinc/17/06/63/554170663.db2.gz MSALDPHBOKFDNM-UHFFFAOYSA-N 0 0 503.603 2.901 50 0 KFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)C4CCC4)CC3)nn2)cc1OC ZINC000036072875 554170845 /nfs/dbraw/zinc/17/08/45/554170845.db2.gz IDBKYYKNHYYDTE-QFIPXVFZSA-N 0 0 523.634 2.617 50 0 KFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)C4CCC4)CC3)nn2)cc1OC ZINC000036072876 554170826 /nfs/dbraw/zinc/17/08/26/554170826.db2.gz IDBKYYKNHYYDTE-JOCHJYFZSA-N 0 0 523.634 2.617 50 0 KFAARN COCC(=O)N(CCc1ccccc1)CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1 ZINC000036073751 554171608 /nfs/dbraw/zinc/17/16/08/554171608.db2.gz HFQQYQUOCGHQLF-UHFFFAOYSA-N 0 0 517.630 2.909 50 0 KFAARN COCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000036073882 554172189 /nfs/dbraw/zinc/17/21/89/554172189.db2.gz CUSSYBKQPPJKHB-UHFFFAOYSA-N 0 0 507.566 2.729 50 0 KFAARN COCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036073888 554172145 /nfs/dbraw/zinc/17/21/45/554172145.db2.gz OVIDEOPYCSQCTF-UHFFFAOYSA-N 0 0 507.566 2.729 50 0 KFAARN CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036073983 554172501 /nfs/dbraw/zinc/17/25/01/554172501.db2.gz FPWSIQAWBLRAPC-UHFFFAOYSA-N 0 0 503.559 2.692 50 0 KFAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(C)=O)CC3)nn2)c1 ZINC000036073992 554172484 /nfs/dbraw/zinc/17/24/84/554172484.db2.gz WGXYQLOVEARVEQ-UHFFFAOYSA-N 0 0 503.559 2.578 50 0 KFAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)C4CC4)CC3)nn2)c1 ZINC000036073994 554172572 /nfs/dbraw/zinc/17/25/72/554172572.db2.gz PAWZNHOHNKDATL-UHFFFAOYSA-N 0 0 529.597 2.968 50 0 KFAARN COCC(=O)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)Cc1ccc(F)cc1 ZINC000036074023 554172550 /nfs/dbraw/zinc/17/25/50/554172550.db2.gz INVUNKCMUVONHY-UHFFFAOYSA-N 0 0 507.566 2.615 50 0 KFAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccco4)CC3)nn2)c1 ZINC000036074030 554172522 /nfs/dbraw/zinc/17/25/22/554172522.db2.gz IODDDGYDMWABEZ-QFIPXVFZSA-N 0 0 505.575 2.715 50 0 KFAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccco4)CC3)nn2)c1 ZINC000036074031 554172552 /nfs/dbraw/zinc/17/25/52/554172552.db2.gz IODDDGYDMWABEZ-JOCHJYFZSA-N 0 0 505.575 2.715 50 0 KFAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)NC(C)C)CC3)nn2)cc1 ZINC000036074127 554172967 /nfs/dbraw/zinc/17/29/67/554172967.db2.gz IWOZHQSAWVTHRM-QHCPKHFHSA-N 0 0 510.639 2.790 50 0 KFAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@H]4CCCO4)C(=O)NC(C)C)CC3)nn2)cc1 ZINC000036074128 554173044 /nfs/dbraw/zinc/17/30/44/554173044.db2.gz IWOZHQSAWVTHRM-HSZRJFAPSA-N 0 0 510.639 2.790 50 0 KFAARN CCCNC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C[C@@H]1CCCO1 ZINC000036074129 554172972 /nfs/dbraw/zinc/17/29/72/554172972.db2.gz SNSHVEPJBAUROU-QHCPKHFHSA-N 0 0 510.639 2.792 50 0 KFAARN CCCNC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C[C@H]1CCCO1 ZINC000036074130 554172924 /nfs/dbraw/zinc/17/29/24/554172924.db2.gz SNSHVEPJBAUROU-HSZRJFAPSA-N 0 0 510.639 2.792 50 0 KFAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@@H]4CCCO4)C(=S)NC(C)C)CC3)nn2)cc1 ZINC000036074198 554173232 /nfs/dbraw/zinc/17/32/32/554173232.db2.gz XQODTKITGDIPBP-QHCPKHFHSA-N 0 0 526.707 2.955 50 0 KFAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@H]4CCCO4)C(=S)NC(C)C)CC3)nn2)cc1 ZINC000036074199 554173252 /nfs/dbraw/zinc/17/32/52/554173252.db2.gz XQODTKITGDIPBP-HSZRJFAPSA-N 0 0 526.707 2.955 50 0 KFAARN CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000036074206 554173310 /nfs/dbraw/zinc/17/33/10/554173310.db2.gz ONVXCEQDYAJOSV-UHFFFAOYSA-N 0 0 509.632 2.820 50 0 KFAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000036074369 554173808 /nfs/dbraw/zinc/17/38/08/554173808.db2.gz OAMHQRJGUGSITQ-UHFFFAOYSA-N 0 0 529.085 2.653 50 0 KFAARN CC(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000036083188 554175033 /nfs/dbraw/zinc/17/50/33/554175033.db2.gz LMCBMRRDGVTGGA-UHFFFAOYSA-N 0 0 526.657 2.528 50 0 KFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(C)=O)CC3)nn2)c(OC)c1 ZINC000036083288 554175203 /nfs/dbraw/zinc/17/52/03/554175203.db2.gz BHUXVNRLGQYAEX-UHFFFAOYSA-N 0 0 507.566 2.997 50 0 KFAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=S)NC(C)C)CC3)nn2)c(OC)c1 ZINC000036083345 554175420 /nfs/dbraw/zinc/17/54/20/554175420.db2.gz MXOMIZMQBVMJES-UHFFFAOYSA-N 0 0 512.680 2.804 50 0 KFAARN O=C(NCCc1ccccn1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036085185 554175962 /nfs/dbraw/zinc/17/59/62/554175962.db2.gz HFGSOQNMGVUKMS-UHFFFAOYSA-N 0 0 513.451 2.968 50 0 KFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)c(=O)n(Cc3cccc(Cl)c3)c2=O)C1 ZINC000036085308 554175982 /nfs/dbraw/zinc/17/59/82/554175982.db2.gz YCXSRDBEPSWCKU-QGZVFWFLSA-N 0 0 514.941 2.650 50 0 KFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)c(=O)n(Cc3cccc(Cl)c3)c2=O)C1 ZINC000036085309 554175974 /nfs/dbraw/zinc/17/59/74/554175974.db2.gz YCXSRDBEPSWCKU-KRWDZBQOSA-N 0 0 514.941 2.650 50 0 KFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)C1 ZINC000036085664 554175944 /nfs/dbraw/zinc/17/59/44/554175944.db2.gz PGBHRVZZJSNWPQ-QGZVFWFLSA-N 0 0 514.941 2.650 50 0 KFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)C1 ZINC000036085665 554175988 /nfs/dbraw/zinc/17/59/88/554175988.db2.gz PGBHRVZZJSNWPQ-KRWDZBQOSA-N 0 0 514.941 2.650 50 0 KFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3ccccc3F)c2=O)C1 ZINC000036085683 554175984 /nfs/dbraw/zinc/17/59/84/554175984.db2.gz QDHCHRAECBNZOU-QGZVFWFLSA-N 0 0 514.941 2.650 50 0 KFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3ccccc3F)c2=O)C1 ZINC000036085684 554175986 /nfs/dbraw/zinc/17/59/86/554175986.db2.gz QDHCHRAECBNZOU-KRWDZBQOSA-N 0 0 514.941 2.650 50 0 KFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3ccccc3C)c2=O)C1 ZINC000036085765 554176214 /nfs/dbraw/zinc/17/62/14/554176214.db2.gz GNNGAMUOQRKISJ-LJQANCHMSA-N 0 0 510.978 2.820 50 0 KFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3ccccc3C)c2=O)C1 ZINC000036085766 554176118 /nfs/dbraw/zinc/17/61/18/554176118.db2.gz GNNGAMUOQRKISJ-IBGZPJMESA-N 0 0 510.978 2.820 50 0 KFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3cccc(OC)c3)c2=O)C1 ZINC000036085801 554176204 /nfs/dbraw/zinc/17/62/04/554176204.db2.gz QSDWIKFSJWLFAP-GOSISDBHSA-N 0 0 526.977 2.520 50 0 KFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3cccc(OC)c3)c2=O)C1 ZINC000036085802 554176133 /nfs/dbraw/zinc/17/61/33/554176133.db2.gz QSDWIKFSJWLFAP-SFHVURJKSA-N 0 0 526.977 2.520 50 0 KFAARN CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccccc3F)c2=O)CC1 ZINC000036086287 554176247 /nfs/dbraw/zinc/17/62/47/554176247.db2.gz QUXHPGKMDJDKEM-UHFFFAOYSA-N 0 0 508.550 2.614 50 0 KFAARN 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O=C(CCc1ccccc1)N1CCC(NC(=O)c2nccnc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000037576082 554252234 /nfs/dbraw/zinc/25/22/34/554252234.db2.gz JQFFXGNOGBJRTM-UHFFFAOYSA-N 0 0 501.543 2.811 50 0 KFAARN CCOC(=O)C1CCN(C(=O)CCN(CC)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1 ZINC000037576455 554252309 /nfs/dbraw/zinc/25/23/09/554252309.db2.gz AGMBPRUGSVTIPT-UHFFFAOYSA-N 0 0 523.634 2.583 50 0 KFAARN COCCN(CCC(=O)NCc1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000037577276 554252281 /nfs/dbraw/zinc/25/22/81/554252281.db2.gz IGLIWNPEBFDGPH-UHFFFAOYSA-N 0 0 503.603 2.724 50 0 KFAARN COCCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000037577516 554252487 /nfs/dbraw/zinc/25/24/87/554252487.db2.gz NIROVHNEXFDGKA-UHFFFAOYSA-N 0 0 521.593 2.863 50 0 KFAARN CCOC(=O)[C@H]1CCCN(C(=O)CCN(CC)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)C1 ZINC000037578170 554252490 /nfs/dbraw/zinc/25/24/90/554252490.db2.gz WCMDPORPUVXQFC-QFIPXVFZSA-N 0 0 523.634 2.583 50 0 KFAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCN(CC)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)C1 ZINC000037578172 554252812 /nfs/dbraw/zinc/25/28/12/554252812.db2.gz WCMDPORPUVXQFC-JOCHJYFZSA-N 0 0 523.634 2.583 50 0 KFAARN CCOC(=O)[C@H]1CCCN(C(=O)CCN(CC)C(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)C1 ZINC000037578299 554252756 /nfs/dbraw/zinc/25/27/56/554252756.db2.gz QFNUZZIFOFJAAD-QHCPKHFHSA-N 0 0 537.661 2.892 50 0 KFAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCN(CC)C(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)C1 ZINC000037578302 554252816 /nfs/dbraw/zinc/25/28/16/554252816.db2.gz QFNUZZIFOFJAAD-HSZRJFAPSA-N 0 0 537.661 2.892 50 0 KFAARN COc1ccc(C(=O)N2CCCN(C[C@@H]3CN(C(=O)c4ccc(F)cc4F)CCO3)CC2)cc1OC ZINC000037611425 554258408 /nfs/dbraw/zinc/25/84/08/554258408.db2.gz BLKBQTMGEGYHIE-HXUWFJFHSA-N 0 0 503.546 2.671 50 0 KFAARN COc1ccc(C(=O)N2CCCN(C[C@H]3CN(C(=O)c4ccc(F)cc4F)CCO3)CC2)cc1OC ZINC000037611428 554258435 /nfs/dbraw/zinc/25/84/35/554258435.db2.gz BLKBQTMGEGYHIE-FQEVSTJZSA-N 0 0 503.546 2.671 50 0 KFAARN COc1cccc(C(=O)N2CCCN(C[C@@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)c1 ZINC000037611561 554258488 /nfs/dbraw/zinc/25/84/88/554258488.db2.gz YOPTZRVLJOZPRY-XMMPIXPASA-N 0 0 502.011 2.803 50 0 KFAARN COc1cccc(C(=O)N2CCCN(C[C@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)c1 ZINC000037611564 554258611 /nfs/dbraw/zinc/25/86/11/554258611.db2.gz YOPTZRVLJOZPRY-DEOSSOPVSA-N 0 0 502.011 2.803 50 0 KFAARN COc1ccc(C(=O)N2CCCN(C[C@@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)cc1OC ZINC000037612308 554258625 /nfs/dbraw/zinc/25/86/25/554258625.db2.gz FJZCYIPAYMSNCF-HSZRJFAPSA-N 0 0 532.037 2.812 50 0 KFAARN COc1ccc(C(=O)N2CCCN(C[C@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)cc1OC ZINC000037612311 554258532 /nfs/dbraw/zinc/25/85/32/554258532.db2.gz FJZCYIPAYMSNCF-QHCPKHFHSA-N 0 0 532.037 2.812 50 0 KFAARN COC(=O)c1c2c(sc1N(S(C)(=O)=O)S(C)(=O)=O)CN(c1ncc(C(F)(F)F)cc1Cl)CC2 ZINC000038139053 554258460 /nfs/dbraw/zinc/25/84/60/554258460.db2.gz FGGKYCZHAMIHNN-UHFFFAOYSA-N 0 0 547.986 2.890 50 0 KFAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)NCCc4ccc(OC)c(OC)c4)nn32)cc1 ZINC000038139057 554258873 /nfs/dbraw/zinc/25/88/73/554258873.db2.gz XFXBTETXPSQFNL-UHFFFAOYSA-N 0 0 550.641 2.574 50 0 KFAARN COc1ccc(CCNC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(C)cc4)n3n2)cc1OC ZINC000038139058 554258935 /nfs/dbraw/zinc/25/89/35/554258935.db2.gz BWESEBZCVDXJGF-UHFFFAOYSA-N 0 0 534.642 2.873 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[nH]2)cc1 ZINC000038139072 554258816 /nfs/dbraw/zinc/25/88/16/554258816.db2.gz NZIKYKQQKDLEOC-UHFFFAOYSA-N 0 0 536.364 2.867 50 0 KFAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)CN(C(C)C)CC2 ZINC000038139093 554258944 /nfs/dbraw/zinc/25/89/44/554258944.db2.gz ZQGHTCXIDXWARA-CALCHBBNSA-N 0 0 534.704 2.924 50 0 KFAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc1)CN(C(C)C)CC2 ZINC000038139094 554258849 /nfs/dbraw/zinc/25/88/49/554258849.db2.gz ZQGHTCXIDXWARA-IRXDYDNUSA-N 0 0 534.704 2.924 50 0 KFAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc1)CN(C(C)C)CC2 ZINC000038139096 554258795 /nfs/dbraw/zinc/25/87/95/554258795.db2.gz ZQGHTCXIDXWARA-IAGOWNOFSA-N 0 0 534.704 2.924 50 0 KFAARN COC(=O)c1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4cc(C)ccc4C)CC2)[nH]c3=O)cc1 ZINC000038139250 554259898 /nfs/dbraw/zinc/25/98/98/554259898.db2.gz CZAZYPUTLSHAMP-UHFFFAOYSA-N 0 0 536.614 2.947 50 0 KFAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc5c(c4)OCCO5)c(=O)[nH]3)CC2)c1 ZINC000038139251 554259967 /nfs/dbraw/zinc/25/99/67/554259967.db2.gz ZHPRUXODMBNNFB-UHFFFAOYSA-N 0 0 536.614 2.932 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)cc1 ZINC000038139283 554259930 /nfs/dbraw/zinc/25/99/30/554259930.db2.gz MJLNAORQOYSGFC-UHFFFAOYSA-N 0 0 539.643 2.643 50 0 KFAARN COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)C[C@@H](C)N5C(C)=O)CC3)CC2)c1 ZINC000038139299 554259850 /nfs/dbraw/zinc/25/98/50/554259850.db2.gz PEQPUOQRLZRIEV-HXUWFJFHSA-N 0 0 540.686 2.742 50 0 KFAARN COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)C[C@H](C)N5C(C)=O)CC3)CC2)c1 ZINC000038139300 554259904 /nfs/dbraw/zinc/25/99/04/554259904.db2.gz PEQPUOQRLZRIEV-FQEVSTJZSA-N 0 0 540.686 2.742 50 0 KFAARN COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)CC1 ZINC000038139308 554260149 /nfs/dbraw/zinc/26/01/49/554260149.db2.gz JTDBQDQXUFXMOP-HXUWFJFHSA-N 0 0 540.686 2.742 50 0 KFAARN COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)CC1 ZINC000038139309 554260154 /nfs/dbraw/zinc/26/01/54/554260154.db2.gz JTDBQDQXUFXMOP-FQEVSTJZSA-N 0 0 540.686 2.742 50 0 KFAARN CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)C[C@@H](C)N5C(C)=O)CC3)CC2)cc1 ZINC000038139310 554260110 /nfs/dbraw/zinc/26/01/10/554260110.db2.gz FHKPRWLPNNWZSL-HXUWFJFHSA-N 0 0 552.697 2.936 50 0 KFAARN CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)C[C@H](C)N5C(C)=O)CC3)CC2)cc1 ZINC000038139311 554260099 /nfs/dbraw/zinc/26/00/99/554260099.db2.gz FHKPRWLPNNWZSL-FQEVSTJZSA-N 0 0 552.697 2.936 50 0 KFAARN COc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c(OC)c1 ZINC000038139384 554260134 /nfs/dbraw/zinc/26/01/34/554260134.db2.gz IFAPHDXMVWDBHN-UHFFFAOYSA-N 0 0 532.615 2.755 50 0 KFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)c2)C1 ZINC000038139396 554260467 /nfs/dbraw/zinc/26/04/67/554260467.db2.gz ZGBBKLKHUWZBMQ-OAQYLSRUSA-N 0 0 540.642 2.725 50 0 KFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)c2)C1 ZINC000038139397 554260417 /nfs/dbraw/zinc/26/04/17/554260417.db2.gz ZGBBKLKHUWZBMQ-NRFANRHFSA-N 0 0 540.642 2.725 50 0 KFAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2)CC1 ZINC000038139533 554260862 /nfs/dbraw/zinc/26/08/62/554260862.db2.gz LXXYMIBXTBDHKS-UHFFFAOYSA-N 0 0 540.564 2.647 50 0 KFAARN CC(C)CN(C(=O)COC(=O)COc1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139556 554260854 /nfs/dbraw/zinc/26/08/54/554260854.db2.gz MKDCJBIQCSSIIN-UHFFFAOYSA-N 0 0 530.581 2.932 50 0 KFAARN CC(C)CN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139566 554260811 /nfs/dbraw/zinc/26/08/11/554260811.db2.gz DHZPSGCMYHSCCS-UHFFFAOYSA-N 0 0 535.626 2.942 50 0 KFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1 ZINC000038139616 554261170 /nfs/dbraw/zinc/26/11/70/554261170.db2.gz LVMYIWZASHUGTJ-UHFFFAOYSA-N 0 0 528.052 2.617 50 0 KFAARN COCCN(C(=O)COC(=O)c1ccccc1Nc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139688 554261121 /nfs/dbraw/zinc/26/11/21/554261121.db2.gz KJRHVEXKOYQMGW-UHFFFAOYSA-N 0 0 543.580 2.747 50 0 KFAARN COCCN(C(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000038139701 554261117 /nfs/dbraw/zinc/26/11/17/554261117.db2.gz NPHGNPWLHJZSOU-UHFFFAOYSA-N 0 0 540.668 2.662 50 0 KFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1C ZINC000038139715 554261178 /nfs/dbraw/zinc/26/11/78/554261178.db2.gz ZVFGOCZNLMJDBS-UHFFFAOYSA-N 0 0 549.715 2.981 50 0 KFAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c(=O)[nH]c1=O ZINC000038139842 554261744 /nfs/dbraw/zinc/26/17/44/554261744.db2.gz WMOGOFYPECFRKZ-UHFFFAOYSA-N 0 0 533.585 2.630 50 0 KFAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000038139855 554261720 /nfs/dbraw/zinc/26/17/20/554261720.db2.gz WXQIZZKRMSHWDG-GOSISDBHSA-N 0 0 534.487 2.879 50 0 KFAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000038139857 554261722 /nfs/dbraw/zinc/26/17/22/554261722.db2.gz WXQIZZKRMSHWDG-SFHVURJKSA-N 0 0 534.487 2.879 50 0 KFAARN Cc1cccc(COc2ccccc2C(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000038139874 554261625 /nfs/dbraw/zinc/26/16/25/554261625.db2.gz LGOJBERAJQQSJN-UHFFFAOYSA-N 0 0 528.565 2.874 50 0 KFAARN COc1cc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)ccc1O ZINC000038140253 554262901 /nfs/dbraw/zinc/26/29/01/554262901.db2.gz LYPHLZMFSLKUPV-FGMBACBISA-N 0 0 568.667 2.829 50 0 biogenic KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N(C)Cc1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000038140301 554262895 /nfs/dbraw/zinc/26/28/95/554262895.db2.gz DKCMDOJRPRQBEI-UHFFFAOYSA-N 0 0 543.665 2.733 50 0 KFAARN COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1 ZINC000038140305 554262855 /nfs/dbraw/zinc/26/28/55/554262855.db2.gz GKFAYAHJIXXDLF-UHFFFAOYSA-N 0 0 536.654 2.912 50 0 KFAARN CCOC(=O)Cc1csc(SCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1 ZINC000038140309 554263063 /nfs/dbraw/zinc/26/30/63/554263063.db2.gz CBXIJGKBMUTIIC-UHFFFAOYSA-N 0 0 531.660 2.511 50 0 KFAARN O=C(COC(=O)CCS(=O)(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000038140327 554263086 /nfs/dbraw/zinc/26/30/86/554263086.db2.gz FAXJQJXEOQJXHF-UHFFFAOYSA-N 0 0 529.036 2.860 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1OC ZINC000038140328 554263078 /nfs/dbraw/zinc/26/30/78/554263078.db2.gz PFQFPCVNWNFKHW-UHFFFAOYSA-N 0 0 537.660 2.528 50 0 KFAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000038140334 554263105 /nfs/dbraw/zinc/26/31/05/554263105.db2.gz MUTTWFCTUGTBAO-AVRDEDQJSA-N 0 0 550.722 2.701 50 0 biogenic KFAARN COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 ZINC000038140335 554263093 /nfs/dbraw/zinc/26/30/93/554263093.db2.gz OOXFYQVRTMCLBW-RXVVDRJESA-N 0 0 550.722 2.701 50 0 biogenic KFAARN CCCCN(C(=O)NCCCCCCNC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000038140413 554263311 /nfs/dbraw/zinc/26/33/11/554263311.db2.gz SEJKVRNPINWFGY-FGZHOGPDSA-N 0 0 550.788 2.544 50 0 KFAARN CCCCN(C(=O)NCCCCCCNC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000038140414 554263390 /nfs/dbraw/zinc/26/33/90/554263390.db2.gz SEJKVRNPINWFGY-SZPZYZBQSA-N 0 0 550.788 2.544 50 0 KFAARN CCCCN(C(=O)NCCCCCCNC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000038140415 554263266 /nfs/dbraw/zinc/26/32/66/554263266.db2.gz SEJKVRNPINWFGY-VXKWHMMOSA-N 0 0 550.788 2.544 50 0 KFAARN COCCN(C(=O)COC(=O)CSc1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140426 554263331 /nfs/dbraw/zinc/26/33/31/554263331.db2.gz NJJKDGJPCAEHED-UHFFFAOYSA-N 0 0 548.621 2.635 50 0 KFAARN CCCOc1ccc(C=CC(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1OCC ZINC000038140436 554263652 /nfs/dbraw/zinc/26/36/52/554263652.db2.gz QMOQTUCLENUCIA-WYMLVPIESA-N 0 0 536.585 2.574 50 0 KFAARN COCCN(C(=O)COC(=O)C(c1ccccc1)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140441 554263589 /nfs/dbraw/zinc/26/35/89/554263589.db2.gz AFHOOLNUUDMFPX-UHFFFAOYSA-N 0 0 542.592 2.522 50 0 KFAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2)cc1 ZINC000038140446 554263657 /nfs/dbraw/zinc/26/36/57/554263657.db2.gz DETLCFSCAFVHQQ-UHFFFAOYSA-N 0 0 543.667 2.975 50 0 KFAARN COCCN(C(=O)COC(=O)c1ccccc1Oc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140452 554263645 /nfs/dbraw/zinc/26/36/45/554263645.db2.gz XZVLEHPJMHVEDV-UHFFFAOYSA-N 0 0 544.564 2.796 50 0 KFAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140493 554263934 /nfs/dbraw/zinc/26/39/34/554263934.db2.gz AWTPQIITHXOIHA-UHFFFAOYSA-N 0 0 541.630 2.650 50 0 KFAARN CC[C@@H]1CCc2sc(C(=O)OCC(=O)N(CCOC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)cc2C1 ZINC000038140770 554264214 /nfs/dbraw/zinc/26/42/14/554264214.db2.gz KIRWWGAGCYBTGO-QGZVFWFLSA-N 0 0 540.642 2.580 50 0 KFAARN CC[C@H]1CCc2sc(C(=O)OCC(=O)N(CCOC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)cc2C1 ZINC000038140771 554264166 /nfs/dbraw/zinc/26/41/66/554264166.db2.gz KIRWWGAGCYBTGO-KRWDZBQOSA-N 0 0 540.642 2.580 50 0 KFAARN CN(C(=O)COC(=O)CSc1cc(Cl)ccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140776 554264209 /nfs/dbraw/zinc/26/42/09/554264209.db2.gz HLGIRKUVKILMOV-UHFFFAOYSA-N 0 0 523.398 2.772 50 0 KFAARN CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000038140782 554264174 /nfs/dbraw/zinc/26/41/74/554264174.db2.gz SVQKYNHZQNPLHM-HSZRJFAPSA-N 0 0 537.679 2.622 50 0 KFAARN CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000038140783 554264163 /nfs/dbraw/zinc/26/41/63/554264163.db2.gz SVQKYNHZQNPLHM-QHCPKHFHSA-N 0 0 537.679 2.622 50 0 KFAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000038140789 554264500 /nfs/dbraw/zinc/26/45/00/554264500.db2.gz KQRWEUXASHUFQE-UHFFFAOYSA-N 0 0 538.066 2.923 50 0 KFAARN NS(=O)(=O)c1cccc(NC(=O)CC23CC4CC(C2)CC(CC(=O)Nc2cccc(S(N)(=O)=O)c2)(C4)C3)c1 ZINC000038142895 554265359 /nfs/dbraw/zinc/26/53/59/554265359.db2.gz WBISELYOSLQSCI-UHFFFAOYSA-N 0 0 560.698 2.925 50 0 KFAARN O=C(NCCN1CCN(C(=O)c2cccc(Br)c2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000038144962 554266451 /nfs/dbraw/zinc/26/64/51/554266451.db2.gz BRMXVFMIQGPMCX-UHFFFAOYSA-N 0 0 538.240 2.724 50 0 KFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1 ZINC000038145192 554267338 /nfs/dbraw/zinc/26/73/38/554267338.db2.gz BFJPXFUVMIODSL-UHFFFAOYSA-N 0 0 551.090 2.907 50 0 KFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)cc1 ZINC000038145205 554267358 /nfs/dbraw/zinc/26/73/58/554267358.db2.gz CPOHQDMMOGOKHH-HXUWFJFHSA-N 0 0 539.532 2.521 50 0 KFAARN COc1ccc(Br)cc1CN(C)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000038145206 554267451 /nfs/dbraw/zinc/26/74/51/554267451.db2.gz GLGZHZQMRGYVFJ-UHFFFAOYSA-N 0 0 527.437 2.688 50 0 KFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000038145207 554267325 /nfs/dbraw/zinc/26/73/25/554267325.db2.gz UMFFDNVBYXVLOE-UHFFFAOYSA-N 0 0 550.703 2.509 50 0 KFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)ccc1F ZINC000038145208 554267361 /nfs/dbraw/zinc/26/73/61/554267361.db2.gz UVUQWZYDRODFTC-UHFFFAOYSA-N 0 0 568.693 2.730 50 0 KFAARN COc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1OC ZINC000038145413 554267464 /nfs/dbraw/zinc/26/74/64/554267464.db2.gz JNSFFJPWUXZRRG-UHFFFAOYSA-N 0 0 591.322 2.852 50 0 KFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1 ZINC000038145502 554267625 /nfs/dbraw/zinc/26/76/25/554267625.db2.gz YAPGAIJNQGAXSQ-UHFFFAOYSA-N 0 0 580.132 2.753 50 0 KFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000038145708 554267638 /nfs/dbraw/zinc/26/76/38/554267638.db2.gz PCCQMUXGGASEKO-UHFFFAOYSA-N 0 0 537.610 2.733 50 0 KFAARN CCN(C(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038145885 554268516 /nfs/dbraw/zinc/26/85/16/554268516.db2.gz VCFZYGZAGXGTLD-UHFFFAOYSA-N 0 0 536.976 2.525 50 0 KFAARN COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3c2=O)cc1OC ZINC000038147046 554270244 /nfs/dbraw/zinc/27/02/44/554270244.db2.gz OLVGUQNBDZDMTM-UHFFFAOYSA-N 0 0 548.552 2.797 50 0 KFAARN COc1ccc(CCNC(=O)CNC(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)c3ccccc32)cc1OC ZINC000038147110 554270109 /nfs/dbraw/zinc/27/01/09/554270109.db2.gz RSAICAWTCLOOFL-UHFFFAOYSA-N 0 0 546.580 2.509 50 0 KFAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)cc1OC ZINC000038147131 554270182 /nfs/dbraw/zinc/27/01/82/554270182.db2.gz NFDRVZXVQIXQGI-UHFFFAOYSA-N 0 0 545.571 2.621 50 0 KFAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@@H]3CCCO3)N2C1=O)NCc1ccc(F)cc1 ZINC000038150009 554270864 /nfs/dbraw/zinc/27/08/64/554270864.db2.gz GMKICYBQCBOTSV-SIKLNZKXSA-N 0 0 537.617 2.909 50 0 KFAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@@H]3CCCO3)N2C1=O)NCc1ccc(F)cc1 ZINC000038150010 554270890 /nfs/dbraw/zinc/27/08/90/554270890.db2.gz GMKICYBQCBOTSV-UGKGYDQZSA-N 0 0 537.617 2.909 50 0 KFAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@H]3CCCO3)N2C1=O)NCc1ccc(F)cc1 ZINC000038150011 554270746 /nfs/dbraw/zinc/27/07/46/554270746.db2.gz GMKICYBQCBOTSV-DENIHFKCSA-N 0 0 537.617 2.909 50 0 KFAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@H]3CCCO3)N2C1=O)NCc1ccc(F)cc1 ZINC000038150012 554270825 /nfs/dbraw/zinc/27/08/25/554270825.db2.gz GMKICYBQCBOTSV-KNQAVFIVSA-N 0 0 537.617 2.909 50 0 KFAARN COCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3nc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000038150013 554270905 /nfs/dbraw/zinc/27/09/05/554270905.db2.gz OZTATCINDOFNLR-FQEVSTJZSA-N 0 0 589.512 2.971 50 0 KFAARN COCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000038150014 554270797 /nfs/dbraw/zinc/27/07/97/554270797.db2.gz OZTATCINDOFNLR-HXUWFJFHSA-N 0 0 589.512 2.971 50 0 KFAARN COc1ccc(CNC(=O)CC[C@H]2N=C3c4ccccc4N=C(SCC(=O)NC[C@@H]4CCCO4)N3C2=O)cc1 ZINC000038150016 554270812 /nfs/dbraw/zinc/27/08/12/554270812.db2.gz MKSDDXMMPLLTEO-NZQKXSOJSA-N 0 0 549.653 2.779 50 0 KFAARN COc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4N=C(SCC(=O)NC[C@@H]4CCCO4)N3C2=O)cc1 ZINC000038150017 554270791 /nfs/dbraw/zinc/27/07/91/554270791.db2.gz MKSDDXMMPLLTEO-REWPJTCUSA-N 0 0 549.653 2.779 50 0 KFAARN COc1ccc(CNC(=O)CC[C@H]2N=C3c4ccccc4N=C(SCC(=O)NC[C@H]4CCCO4)N3C2=O)cc1 ZINC000038150018 554270801 /nfs/dbraw/zinc/27/08/01/554270801.db2.gz MKSDDXMMPLLTEO-NFBKMPQASA-N 0 0 549.653 2.779 50 0 KFAARN COc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4N=C(SCC(=O)NC[C@H]4CCCO4)N3C2=O)cc1 ZINC000038150019 554270833 /nfs/dbraw/zinc/27/08/33/554270833.db2.gz MKSDDXMMPLLTEO-OFNKIYASSA-N 0 0 549.653 2.779 50 0 KFAARN COc1ccccc1CNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@@H]3CCCO3)N2C1=O ZINC000038150022 554270785 /nfs/dbraw/zinc/27/07/85/554270785.db2.gz PIRZCJSFKXCXOB-SIKLNZKXSA-N 0 0 549.653 2.779 50 0 KFAARN COc1ccccc1CNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@@H]3CCCO3)N2C1=O ZINC000038150023 554270897 /nfs/dbraw/zinc/27/08/97/554270897.db2.gz PIRZCJSFKXCXOB-UGKGYDQZSA-N 0 0 549.653 2.779 50 0 KFAARN COc1ccccc1CNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@H]3CCCO3)N2C1=O ZINC000038150024 554270840 /nfs/dbraw/zinc/27/08/40/554270840.db2.gz PIRZCJSFKXCXOB-DENIHFKCSA-N 0 0 549.653 2.779 50 0 KFAARN COc1ccccc1CNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@H]3CCCO3)N2C1=O ZINC000038150025 554270836 /nfs/dbraw/zinc/27/08/36/554270836.db2.gz PIRZCJSFKXCXOB-KNQAVFIVSA-N 0 0 549.653 2.779 50 0 KFAARN COc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCN(c5ccccn5)CC4)c(=O)c3c2C)c(OC)c1 ZINC000038150037 554271247 /nfs/dbraw/zinc/27/12/47/554271247.db2.gz AEBNNQRLVCYSEM-UHFFFAOYSA-N 0 0 548.625 2.780 50 0 KFAARN COc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCN(c5ccccn5)CC4)c(=O)c3c2C)cc1OC ZINC000038150038 554271243 /nfs/dbraw/zinc/27/12/43/554271243.db2.gz HGQSDYUTHVZQCT-UHFFFAOYSA-N 0 0 548.625 2.780 50 0 KFAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038150086 554271394 /nfs/dbraw/zinc/27/13/94/554271394.db2.gz RYXAGMGRJCPFOI-UHFFFAOYSA-N 0 0 531.569 2.977 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000038150092 554271421 /nfs/dbraw/zinc/27/14/21/554271421.db2.gz UDUPNBIDQUQUOQ-NSHDSACASA-N 0 0 532.800 2.910 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000038150093 554271496 /nfs/dbraw/zinc/27/14/96/554271496.db2.gz UDUPNBIDQUQUOQ-LLVKDONJSA-N 0 0 532.800 2.910 50 0 KFAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N(C)Cc1ccccc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000038151081 554271726 /nfs/dbraw/zinc/27/17/26/554271726.db2.gz JFRYNZAOIRIVDK-UHFFFAOYSA-N 0 0 543.665 2.733 50 0 KFAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000038151100 554271784 /nfs/dbraw/zinc/27/17/84/554271784.db2.gz VAMIKZLCDGOADC-UHFFFAOYSA-N 0 0 541.548 2.974 50 0 KFAARN COc1ccc(-c2nc(SCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n[nH]2)cc1 ZINC000038152218 554272349 /nfs/dbraw/zinc/27/23/49/554272349.db2.gz HHODFOMHWDNAPW-UHFFFAOYSA-N 0 0 535.630 2.742 50 0 KFAARN COc1cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)cc(OC)c1OC ZINC000038152220 554272286 /nfs/dbraw/zinc/27/22/86/554272286.db2.gz YJFKHPSZHIYUGC-UNOMPAQXSA-N 0 0 533.990 2.948 50 0 KFAARN CC(C)CN(C(=O)COC(=O)c1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152228 554272341 /nfs/dbraw/zinc/27/23/41/554272341.db2.gz CEKVZHVTZWIFMA-UHFFFAOYSA-N 0 0 529.391 2.776 50 0 KFAARN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000038152268 554272346 /nfs/dbraw/zinc/27/23/46/554272346.db2.gz MSZVLFGOMWHHBO-UHFFFAOYSA-N 0 0 548.971 2.889 50 0 KFAARN O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)CC1 ZINC000038152340 554272554 /nfs/dbraw/zinc/27/25/54/554272554.db2.gz KBROJVMBQRNURF-UHFFFAOYSA-N 0 0 538.439 2.974 50 0 KFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000038152357 554272483 /nfs/dbraw/zinc/27/24/83/554272483.db2.gz HCMFNQRWELKAKP-UHFFFAOYSA-N 0 0 536.601 2.687 50 0 KFAARN COCCCN(C(=O)[C@H](C)Oc1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152768 554272841 /nfs/dbraw/zinc/27/28/41/554272841.db2.gz YMDIKVBNXXAMFY-INIZCTEOSA-N 0 0 531.407 2.767 50 0 KFAARN COCCCN(C(=O)[C@@H](C)Oc1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152769 554273068 /nfs/dbraw/zinc/27/30/68/554273068.db2.gz YMDIKVBNXXAMFY-MRXNPFEDSA-N 0 0 531.407 2.767 50 0 KFAARN O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000038152770 554273036 /nfs/dbraw/zinc/27/30/36/554273036.db2.gz CXDIHBSCTRWOGU-UHFFFAOYSA-N 0 0 539.985 2.560 50 0 KFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O ZINC000038152780 554273105 /nfs/dbraw/zinc/27/31/05/554273105.db2.gz HCBUFYKKADUKKY-UHFFFAOYSA-N 0 0 540.086 2.662 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2)cc1C ZINC000038152783 554273052 /nfs/dbraw/zinc/27/30/52/554273052.db2.gz YDONGIKYHSJLMX-UHFFFAOYSA-N 0 0 543.063 2.943 50 0 KFAARN COCCN(C(=O)COC(=O)c1ccccc1Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152787 554273023 /nfs/dbraw/zinc/27/30/23/554273023.db2.gz BRORPQDANHKEIH-UHFFFAOYSA-N 0 0 542.592 2.594 50 0 KFAARN Cc1cccc(NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1 ZINC000038152789 554273072 /nfs/dbraw/zinc/27/30/72/554273072.db2.gz ZMUMPARUTVVHNC-UHFFFAOYSA-N 0 0 532.688 2.927 50 0 KFAARN CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)COc2cc(C)c(Cl)cc2C(C)C)c(=O)[nH]c1=O ZINC000038152797 554273019 /nfs/dbraw/zinc/27/30/19/554273019.db2.gz QFMOKFXUHHJAKY-UHFFFAOYSA-N 0 0 539.029 2.606 50 0 KFAARN COc1cc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCCN2CCOCC2)cc(OC)c1OC ZINC000038152809 554273450 /nfs/dbraw/zinc/27/34/50/554273450.db2.gz LRKBMECLWDOFFU-KQWNVCNZSA-N 0 0 536.629 2.814 50 0 KFAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCCN2CCOCC2)c2ccccc21 ZINC000038152810 554273439 /nfs/dbraw/zinc/27/34/39/554273439.db2.gz CYYRSDFXIXVXLI-MOHJPFBDSA-N 0 0 574.103 2.559 50 0 KFAARN COc1cc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCCC2)cc(OC)c1OC ZINC000038152813 554273422 /nfs/dbraw/zinc/27/34/22/554273422.db2.gz GCMCZOFEQPFRPM-STZFKDTASA-N 0 0 556.641 2.715 50 0 KFAARN CCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NCCN2CCOCC2)c2ccccc21 ZINC000038152814 554273318 /nfs/dbraw/zinc/27/33/18/554273318.db2.gz NOJRHGNBQMDZPZ-KQWNVCNZSA-N 0 0 536.629 2.906 50 0 KFAARN O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c43)C2=O)n1-c1ccccc1)N1CCN(CCO)CC1 ZINC000038154860 554273596 /nfs/dbraw/zinc/27/35/96/554273596.db2.gz JJAYFZJFTVCLAQ-UHFFFAOYSA-N 0 0 584.702 2.878 50 0 KFAARN CCOC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C ZINC000038339134 554274720 /nfs/dbraw/zinc/27/47/20/554274720.db2.gz MSHKEMUMXTZIIT-MCBHFWOFSA-N 0 0 509.600 2.880 50 0 in-vitro KFAARN CC1(C)C[C@H](N2C(=O)c3cccc(N4CCC[C@H](C(=O)NCCCN5CCCC5=O)C4)c3C2=O)CCO1 ZINC000039442243 554279318 /nfs/dbraw/zinc/27/93/18/554279318.db2.gz GKYRIJDYVHKSCI-VQTJNVASSA-N 0 0 510.635 2.585 50 0 KFAARN CC1(C)C[C@@H](N2C(=O)c3cccc(N4CCC[C@H](C(=O)NCCCN5CCCC5=O)C4)c3C2=O)CCO1 ZINC000039442244 554279369 /nfs/dbraw/zinc/27/93/69/554279369.db2.gz GKYRIJDYVHKSCI-PMACEKPBSA-N 0 0 510.635 2.585 50 0 KFAARN O=C(OCCOCCO)c1cc(-c2cc(C(=O)OCCOCCO)c3ccccc3n2)nc2ccccc21 ZINC000039776731 554281086 /nfs/dbraw/zinc/28/10/86/554281086.db2.gz UCYMIYSRGHJURV-UHFFFAOYSA-N 0 0 520.538 2.781 50 0 KFAARN CCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000040160062 554282499 /nfs/dbraw/zinc/28/24/99/554282499.db2.gz PWPDMEDYFGRCRP-UHFFFAOYSA-N 0 0 522.650 2.568 50 0 KFAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc21 ZINC000040450169 554284958 /nfs/dbraw/zinc/28/49/58/554284958.db2.gz XKVDSZZVARPBFZ-UHFFFAOYSA-N 0 0 522.421 2.593 50 0 KFAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cc21 ZINC000040450227 554284988 /nfs/dbraw/zinc/28/49/88/554284988.db2.gz KYBFHASAJOYOOW-UHFFFAOYSA-N 0 0 520.449 2.871 50 0 KFAARN COC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)cc1 ZINC000040450244 554285237 /nfs/dbraw/zinc/28/52/37/554285237.db2.gz VAUVANVBLDPVRX-UHFFFAOYSA-N 0 0 509.378 2.947 50 0 KFAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCN3CCCC[C@H]3C)cc21 ZINC000040450260 554285106 /nfs/dbraw/zinc/28/51/06/554285106.db2.gz SBZBDKPDIRLHGV-OAHLLOKOSA-N 0 0 500.459 2.513 50 0 KFAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCN3CCCC[C@@H]3C)cc21 ZINC000040450261 554285240 /nfs/dbraw/zinc/28/52/40/554285240.db2.gz SBZBDKPDIRLHGV-HNNXBMFYSA-N 0 0 500.459 2.513 50 0 KFAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc21 ZINC000040450343 554285209 /nfs/dbraw/zinc/28/52/09/554285209.db2.gz IIHWEEDEPRSCMT-ZBFHGGJFSA-N 0 0 506.422 2.718 50 0 biogenic KFAARN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc21 ZINC000040450521 554285480 /nfs/dbraw/zinc/28/54/80/554285480.db2.gz ZMPVNIUYBPWTOM-PBHICJAKSA-N 0 0 518.433 2.718 50 0 biogenic KFAARN CC(=O)N1c2cc(S(=O)(=O)NCCN3CCN(c4ccccc4)CC3)c(Br)cc2C[C@H]1C ZINC000040450740 554285622 /nfs/dbraw/zinc/28/56/22/554285622.db2.gz IDLINWQCDIUYLF-QGZVFWFLSA-N 0 0 521.481 2.847 50 0 KFAARN CC(=O)N1c2cc(S(=O)(=O)NCCN3CCN(c4ccccc4)CC3)c(Br)cc2C[C@@H]1C ZINC000040450741 554285773 /nfs/dbraw/zinc/28/57/73/554285773.db2.gz IDLINWQCDIUYLF-KRWDZBQOSA-N 0 0 521.481 2.847 50 0 KFAARN CCOC(CCNC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC)OCC ZINC000040450800 554285786 /nfs/dbraw/zinc/28/57/86/554285786.db2.gz QHDAUKTWEXDBFC-UHFFFAOYSA-N 0 0 519.458 2.817 50 0 KFAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)cc21 ZINC000040450845 554285989 /nfs/dbraw/zinc/28/59/89/554285989.db2.gz IAOPBWPTFKOLQG-UHFFFAOYSA-N 0 0 510.410 2.668 50 0 KFAARN CCOCCCNC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)CC1 ZINC000040450854 554285925 /nfs/dbraw/zinc/28/59/25/554285925.db2.gz NABYLURNSQOPBR-UHFFFAOYSA-N 0 0 530.485 2.692 50 0 KFAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)cc21 ZINC000040454591 554286310 /nfs/dbraw/zinc/28/63/10/554286310.db2.gz GVVXKZVHNMKONN-UHFFFAOYSA-N 0 0 525.444 2.598 50 0 KFAARN Cc1ccc(SCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c(C)c1 ZINC000040457489 554286676 /nfs/dbraw/zinc/28/66/76/554286676.db2.gz ZNJRJHQHYREOQZ-UHFFFAOYSA-N 0 0 503.669 2.631 50 0 KFAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000040457612 554286686 /nfs/dbraw/zinc/28/66/86/554286686.db2.gz XBARFNZELLUOCM-UHFFFAOYSA-N 0 0 503.886 2.800 50 0 KFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1)[C@H]1COc2ccccc2O1 ZINC000040476200 554286679 /nfs/dbraw/zinc/28/66/79/554286679.db2.gz DEDJOYLSHNIWLV-XMMPIXPASA-N 0 0 501.605 2.866 50 0 KFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1)[C@@H]1COc2ccccc2O1 ZINC000040476203 554286662 /nfs/dbraw/zinc/28/66/62/554286662.db2.gz DEDJOYLSHNIWLV-DEOSSOPVSA-N 0 0 501.605 2.866 50 0 KFAARN O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc2sc(-c3cccs3)nn21 ZINC000041077421 554292247 /nfs/dbraw/zinc/29/22/47/554292247.db2.gz ADNDVGFJCHQGGW-UHFFFAOYSA-N 0 0 509.585 2.664 50 0 KFAARN O=c1cc(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc2sc(-c3cccs3)nn21 ZINC000041077422 554292175 /nfs/dbraw/zinc/29/21/75/554292175.db2.gz QGXLFJZCWYFHQT-UHFFFAOYSA-N 0 0 509.585 2.664 50 0 KFAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1 ZINC000041077423 554292219 /nfs/dbraw/zinc/29/22/19/554292219.db2.gz NTNRLWFOUBQRHJ-UHFFFAOYSA-N 0 0 517.658 2.785 50 0 KFAARN O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2sc(-c3cccc(F)c3)nn21 ZINC000041077458 554292534 /nfs/dbraw/zinc/29/25/34/554292534.db2.gz FRZQUWXNPNVQBZ-UHFFFAOYSA-N 0 0 503.556 2.603 50 0 KFAARN O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2sc(-c3ccccc3F)nn21 ZINC000041077470 554292521 /nfs/dbraw/zinc/29/25/21/554292521.db2.gz UFXVZFKAAJLGHH-UHFFFAOYSA-N 0 0 503.556 2.603 50 0 KFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(Cl)cc4)sc3n2)CC1 ZINC000041077510 554292720 /nfs/dbraw/zinc/29/27/20/554292720.db2.gz MGTKMHYIETYACE-UHFFFAOYSA-N 0 0 521.024 2.583 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)cc1 ZINC000041077512 554292660 /nfs/dbraw/zinc/29/26/60/554292660.db2.gz MSSHDYBOMNRGMM-UHFFFAOYSA-N 0 0 511.629 2.642 50 0 KFAARN Cc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)cc3=O)s2)cc1 ZINC000041077515 554292674 /nfs/dbraw/zinc/29/26/74/554292674.db2.gz BPYWNCPHMOXAQQ-UHFFFAOYSA-N 0 0 517.583 2.911 50 0 KFAARN Cc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5cc(F)ccc5F)CC4)cc3=O)s2)cc1 ZINC000041077516 554292712 /nfs/dbraw/zinc/29/27/12/554292712.db2.gz YPIZVKSSSWLENS-UHFFFAOYSA-N 0 0 517.583 2.911 50 0 KFAARN Cc1cccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5cc(F)ccc5F)CC4)cc3=O)s2)c1 ZINC000041077547 554292645 /nfs/dbraw/zinc/29/26/45/554292645.db2.gz PVAGQCYNOIOWEJ-UHFFFAOYSA-N 0 0 517.583 2.911 50 0 KFAARN Cc1cccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)cc3=O)s2)c1 ZINC000041077548 554292638 /nfs/dbraw/zinc/29/26/38/554292638.db2.gz AEJKVYJWBZGXSY-UHFFFAOYSA-N 0 0 517.583 2.911 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(C)c5)sc4n3)CC2)cc1 ZINC000041077551 554292644 /nfs/dbraw/zinc/29/26/44/554292644.db2.gz PHFVNPMIMANBKD-UHFFFAOYSA-N 0 0 511.629 2.642 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1 ZINC000041077579 554293013 /nfs/dbraw/zinc/29/30/13/554293013.db2.gz UWQBGNFWGGYZOS-UHFFFAOYSA-N 0 0 511.629 2.642 50 0 KFAARN Cc1ccccc1-c1nn2c(nc(CN3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)cc2=O)s1 ZINC000041077582 554292949 /nfs/dbraw/zinc/29/29/49/554292949.db2.gz JBHNIDCDIUPWAS-UHFFFAOYSA-N 0 0 517.583 2.911 50 0 KFAARN Cc1ccccc1-c1nn2c(nc(CN3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)cc2=O)s1 ZINC000041077583 554292934 /nfs/dbraw/zinc/29/29/34/554292934.db2.gz VTWCJGMIHCGSMR-UHFFFAOYSA-N 0 0 517.583 2.911 50 0 KFAARN O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc2sc(-c3ccccc3)nn21 ZINC000041077601 554292940 /nfs/dbraw/zinc/29/29/40/554292940.db2.gz ZTCCJEISZVHGNX-UHFFFAOYSA-N 0 0 503.556 2.603 50 0 KFAARN O=c1cc(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc2sc(-c3ccccc3)nn21 ZINC000041077602 554293006 /nfs/dbraw/zinc/29/30/06/554293006.db2.gz NQAXIDLWWDNWCV-UHFFFAOYSA-N 0 0 503.556 2.603 50 0 KFAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1 ZINC000041077603 554292951 /nfs/dbraw/zinc/29/29/51/554292951.db2.gz WUXNHZDQEUZCQO-UHFFFAOYSA-N 0 0 511.629 2.723 50 0 KFAARN O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2sc(-c3ccccc3)nn21 ZINC000041077609 554292927 /nfs/dbraw/zinc/29/29/27/554292927.db2.gz POOXEXGDADMXSM-UHFFFAOYSA-N 0 0 502.021 2.978 50 0 KFAARN O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2sc(-c3ccc(F)cc3)nn21 ZINC000041085845 554294605 /nfs/dbraw/zinc/29/46/05/554294605.db2.gz OFBWBNDHNSHJCT-UHFFFAOYSA-N 0 0 503.556 2.603 50 0 KFAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)c5ccc6c(c5)OCO6)CC4)cc3=O)s2)cc1 ZINC000041085910 554294673 /nfs/dbraw/zinc/29/46/73/554294673.db2.gz OQGZNAZEYBDQQQ-UHFFFAOYSA-N 0 0 505.556 2.513 50 0 KFAARN COc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccccc5C)CC4)cc3=O)s2)cc1 ZINC000041085918 554294655 /nfs/dbraw/zinc/29/46/55/554294655.db2.gz CRIOWBLWEILYKQ-UHFFFAOYSA-N 0 0 511.629 2.642 50 0 KFAARN COc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(C)cc5C)CC4)cc3=O)s2)cc1 ZINC000041085921 554294695 /nfs/dbraw/zinc/29/46/95/554294695.db2.gz ZCLJIXKFRINDPB-UHFFFAOYSA-N 0 0 525.656 2.950 50 0 KFAARN COc1cc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(CC(=O)NCCc3ccccc3)c2=O)cc1Cl ZINC000043198263 554297737 /nfs/dbraw/zinc/29/77/37/554297737.db2.gz HLLBRDUDPDFWHN-UHFFFAOYSA-N 0 0 550.999 2.831 50 0 KFAARN C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 ZINC000043760850 554299546 /nfs/dbraw/zinc/29/95/46/554299546.db2.gz CHTJGNNQGAAYAL-QTLGCAHFSA-N 0 0 506.555 2.839 50 0 KFAARN CS(=O)(=O)N(C/C=C\CN(C(=O)OCc1ccccc1)S(C)(=O)=O)C(=O)OCc1ccccc1 ZINC000043763378 554299626 /nfs/dbraw/zinc/29/96/26/554299626.db2.gz RLJYIEFMZKPQCP-KTKRTIGZSA-N 0 0 510.590 2.739 50 0 KFAARN Cn1cnnc1SCC(=O)Nc1ccc2nc(-c3ccc(NC(=O)CSc4nncn4C)cc3O)oc2c1 ZINC000044069651 554300308 /nfs/dbraw/zinc/30/03/08/554300308.db2.gz DPQLNGDLHNEWMF-UHFFFAOYSA-N 0 0 551.614 2.919 50 0 KFAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCN3CCN(c4ccccc4)CC3)cc21 ZINC000044139549 554301205 /nfs/dbraw/zinc/30/12/05/554301205.db2.gz NHWOHEKUHNATDK-UHFFFAOYSA-N 0 0 521.481 2.849 50 0 KFAARN COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1 ZINC000045358032 554311390 /nfs/dbraw/zinc/31/13/90/554311390.db2.gz HRRNDHFMTPCCMO-UHFFFAOYSA-N 0 0 519.562 2.642 50 0 in-vitro KFAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC(C)C)c2=O)cc1 ZINC000045896461 554311500 /nfs/dbraw/zinc/31/15/00/554311500.db2.gz DHFOJXLJZDWWAV-UHFFFAOYSA-N 0 0 508.575 2.674 50 0 KFAARN CCCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(=O)OCC)cc2)c1=O ZINC000045896479 554311598 /nfs/dbraw/zinc/31/15/98/554311598.db2.gz ZQUQKTURYMNWJP-UHFFFAOYSA-N 0 0 508.575 2.675 50 0 KFAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccccc2)c1=O)NCc1ccco1 ZINC000045896517 554311569 /nfs/dbraw/zinc/31/15/69/554311569.db2.gz ADWYBYSYKBAUFH-UHFFFAOYSA-N 0 0 502.571 2.602 50 0 KFAARN COc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2ccco2)c1=O ZINC000045896519 554311737 /nfs/dbraw/zinc/31/17/37/554311737.db2.gz UXQLGKAXMGXJPP-UHFFFAOYSA-N 0 0 504.543 2.890 50 0 KFAARN Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)cc1 ZINC000045896521 554311762 /nfs/dbraw/zinc/31/17/62/554311762.db2.gz YRFPKROSMDVKRF-UHFFFAOYSA-N 0 0 502.571 2.868 50 0 KFAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O)NCc1ccco1 ZINC000045896529 554311722 /nfs/dbraw/zinc/31/17/22/554311722.db2.gz YQBXFGSJCKITEL-UHFFFAOYSA-N 0 0 506.534 2.698 50 0 KFAARN COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)cc1 ZINC000045896531 554311753 /nfs/dbraw/zinc/31/17/53/554311753.db2.gz HQBWFVGNLCTBMN-UHFFFAOYSA-N 0 0 518.570 2.568 50 0 KFAARN COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCC3)c2=O)cc1 ZINC000045898947 554312517 /nfs/dbraw/zinc/31/25/17/554312517.db2.gz OFFFJPPZZUMRMJ-UHFFFAOYSA-N 0 0 506.603 2.717 50 0 KFAARN COc1cccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCC3)c2=O)c1 ZINC000045898950 554312503 /nfs/dbraw/zinc/31/25/03/554312503.db2.gz ITDMHLOERZOIPB-UHFFFAOYSA-N 0 0 506.603 2.717 50 0 KFAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O)NC1CCCC1 ZINC000045898956 554312515 /nfs/dbraw/zinc/31/25/15/554312515.db2.gz GMKKPMFXKGFRNB-UHFFFAOYSA-N 0 0 506.559 2.760 50 0 KFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCC(C)C)c2=O)cc1OC ZINC000045899121 554312494 /nfs/dbraw/zinc/31/24/94/554312494.db2.gz UCAAVUPWTQSKML-UHFFFAOYSA-N 0 0 510.591 2.762 50 0 KFAARN Cc1ccc2c(c1)N(C(=O)Cn1c3ccccc3c(=O)n(CCCCC(=O)NCC(C)C)c1=O)CCO2 ZINC000045899134 554312695 /nfs/dbraw/zinc/31/26/95/554312695.db2.gz NGGQIXDPHHPIEL-UHFFFAOYSA-N 0 0 506.603 2.840 50 0 KFAARN COC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCC(C)C)c2=O)cc1 ZINC000045899152 554312686 /nfs/dbraw/zinc/31/26/86/554312686.db2.gz IZQQKPOFUWRGPC-UHFFFAOYSA-N 0 0 508.575 2.531 50 0 KFAARN CC(C)CNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O ZINC000045899161 554312764 /nfs/dbraw/zinc/31/27/64/554312764.db2.gz FINWUXZPCXJXOD-UHFFFAOYSA-N 0 0 508.575 2.516 50 0 KFAARN CC(C)CCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000045899205 554312711 /nfs/dbraw/zinc/31/27/11/554312711.db2.gz PXWCGMULPHYERS-UHFFFAOYSA-N 0 0 502.571 2.767 50 0 KFAARN COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC(C)C)cc3)c2=O)c1 ZINC000045899264 554312742 /nfs/dbraw/zinc/31/27/42/554312742.db2.gz PBZCXOUQNMFGTN-UHFFFAOYSA-N 0 0 500.555 2.867 50 0 KFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC(C)C)cc3)c2=O)cc1 ZINC000045899287 554312714 /nfs/dbraw/zinc/31/27/14/554312714.db2.gz UVIZIEVWMFSNTA-UHFFFAOYSA-N 0 0 500.555 2.867 50 0 KFAARN CC(C)NC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1 ZINC000045899312 554312757 /nfs/dbraw/zinc/31/27/57/554312757.db2.gz PYZVKPDTDBMFJA-UHFFFAOYSA-N 0 0 502.546 2.675 50 0 KFAARN CC(C)NC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCCc3ccccc3)c2=O)cc1 ZINC000045899318 554312739 /nfs/dbraw/zinc/31/27/39/554312739.db2.gz SVPPHFZIUZIFED-UHFFFAOYSA-N 0 0 512.610 2.969 50 0 KFAARN COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC(C)C)cc3)c2=O)cc1 ZINC000045899321 554312729 /nfs/dbraw/zinc/31/27/29/554312729.db2.gz TWGJQELNVKRYKO-UHFFFAOYSA-N 0 0 514.582 2.545 50 0 KFAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1 ZINC000045899534 554313055 /nfs/dbraw/zinc/31/30/55/554313055.db2.gz HLLQXSXJJXNPAY-UHFFFAOYSA-N 0 0 502.546 2.677 50 0 KFAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCCc3ccccc3)c2=O)cc1 ZINC000045899541 554313042 /nfs/dbraw/zinc/31/30/42/554313042.db2.gz ZAWNFJXZJVFRKV-UHFFFAOYSA-N 0 0 512.610 2.970 50 0 KFAARN CCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000045899602 554313034 /nfs/dbraw/zinc/31/30/34/554313034.db2.gz ZRYGEQKNHTVESZ-UHFFFAOYSA-N 0 0 512.610 2.970 50 0 KFAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)cc1)NCc1ccco1 ZINC000045899756 554313229 /nfs/dbraw/zinc/31/32/29/554313229.db2.gz ZEVWLCDELVEWQL-UHFFFAOYSA-N 0 0 512.522 2.514 50 0 KFAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCCOC)cc3)c2=O)cc1 ZINC000045899972 554313481 /nfs/dbraw/zinc/31/34/81/554313481.db2.gz ACINAXJAOLUNJM-UHFFFAOYSA-N 0 0 514.582 2.659 50 0 KFAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 ZINC000045899974 554313491 /nfs/dbraw/zinc/31/34/91/554313491.db2.gz YPBJDUCKMCEJLH-UHFFFAOYSA-N 0 0 514.582 2.713 50 0 KFAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NCCOC)cc2)c1=O ZINC000045899976 554313495 /nfs/dbraw/zinc/31/34/95/554313495.db2.gz KODWFTLFTCXQAA-UHFFFAOYSA-N 0 0 514.582 2.659 50 0 KFAARN CCc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCCOC)cc3)c2=O)c1 ZINC000045899982 554313485 /nfs/dbraw/zinc/31/34/85/554313485.db2.gz YWGLILNVLMEVLT-UHFFFAOYSA-N 0 0 514.582 2.659 50 0 KFAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(C)ccc3C)c2=O)cc1 ZINC000045899985 554313460 /nfs/dbraw/zinc/31/34/60/554313460.db2.gz DMBTXPWMYIPIHZ-UHFFFAOYSA-N 0 0 514.582 2.713 50 0 KFAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C)c3C)c2=O)cc1 ZINC000045899989 554313468 /nfs/dbraw/zinc/31/34/68/554313468.db2.gz IRBVDOKBZXGKSY-UHFFFAOYSA-N 0 0 514.582 2.713 50 0 KFAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccccc3Cl)c2=O)cc1)NC1CC1 ZINC000045900109 554313407 /nfs/dbraw/zinc/31/34/07/554313407.db2.gz PDRCGKQGRYBPKJ-UHFFFAOYSA-N 0 0 516.985 2.943 50 0 KFAARN CC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c2=O)c1 ZINC000045900159 554313632 /nfs/dbraw/zinc/31/36/32/554313632.db2.gz VJBZJQLVMCQHKV-UHFFFAOYSA-N 0 0 510.550 2.815 50 0 KFAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCCc3ccccc3)c2=O)cc1)NC1CC1 ZINC000045900162 554313682 /nfs/dbraw/zinc/31/36/82/554313682.db2.gz VDCJFNCPHVUMCP-UHFFFAOYSA-N 0 0 510.594 2.723 50 0 KFAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c2=O)cc1 ZINC000045900165 554313761 /nfs/dbraw/zinc/31/37/61/554313761.db2.gz VMCLRGBGNGULFJ-UHFFFAOYSA-N 0 0 510.550 2.815 50 0 KFAARN CC(C)CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000045900243 554313662 /nfs/dbraw/zinc/31/36/62/554313662.db2.gz VKFJMKXVWCEAHW-UHFFFAOYSA-N 0 0 512.610 2.826 50 0 KFAARN CC(C)CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1 ZINC000045900290 554313704 /nfs/dbraw/zinc/31/37/04/554313704.db2.gz KMLFDQFZEFKXGD-UHFFFAOYSA-N 0 0 516.573 2.923 50 0 KFAARN CCCCNC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)N[C@@H](C)CC)cc2)c1=O ZINC000045921853 554314292 /nfs/dbraw/zinc/31/42/92/554314292.db2.gz IGYZDANJWDVWJJ-SFHVURJKSA-N 0 0 524.618 2.673 50 0 KFAARN CCCCNC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)N[C@H](C)CC)cc2)c1=O ZINC000045921859 554314210 /nfs/dbraw/zinc/31/42/10/554314210.db2.gz IGYZDANJWDVWJJ-GOSISDBHSA-N 0 0 524.618 2.673 50 0 KFAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(OC)c(Cl)c3)c2=O)cc1 ZINC000045922001 554314542 /nfs/dbraw/zinc/31/45/42/554314542.db2.gz KWMXHHQCKLOKJX-UHFFFAOYSA-N 0 0 506.946 2.742 50 0 KFAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O)NCc1ccco1 ZINC000045922163 554314816 /nfs/dbraw/zinc/31/48/16/554314816.db2.gz BSCJIELROPBTRD-UHFFFAOYSA-N 0 0 518.526 2.610 50 0 KFAARN COc1cc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccc(C)cc3)c2N)cc(OC)c1OC ZINC000045986813 554317024 /nfs/dbraw/zinc/31/70/24/554317024.db2.gz HCCQHYHIXCUYMQ-UHFFFAOYSA-N 0 0 506.606 2.993 50 0 KFAARN COc1cc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc(OC)c1OC ZINC000046031658 554319183 /nfs/dbraw/zinc/31/91/83/554319183.db2.gz ZYXKCBJUGXJCBR-UHFFFAOYSA-N 0 0 521.599 2.802 50 0 KFAARN COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1OC ZINC000046031814 554319358 /nfs/dbraw/zinc/31/93/58/554319358.db2.gz UOVMTEQFUBUYKQ-UHFFFAOYSA-N 0 0 509.563 2.932 50 0 KFAARN COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)cc1OC ZINC000046031850 554319393 /nfs/dbraw/zinc/31/93/93/554319393.db2.gz GREYGMFIXYOWNG-UHFFFAOYSA-N 0 0 509.563 2.932 50 0 KFAARN CCCSc1ncc(Br)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(=O)OC)n1 ZINC000046085582 554319895 /nfs/dbraw/zinc/31/98/95/554319895.db2.gz UWBUQZBDVZHBNC-INIZCTEOSA-N 0 0 509.426 2.762 50 0 KFAARN CCCSc1ncc(Br)c(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)OC)n1 ZINC000046085583 554319905 /nfs/dbraw/zinc/31/99/05/554319905.db2.gz UWBUQZBDVZHBNC-MRXNPFEDSA-N 0 0 509.426 2.762 50 0 KFAARN COc1ccccc1N1CCN(C(=O)CSc2nnc3c(=O)n(Cc4ccc(F)cc4)ccn23)CC1 ZINC000049421438 554323070 /nfs/dbraw/zinc/32/30/70/554323070.db2.gz IMHPUTQBJUYHSS-UHFFFAOYSA-N 0 0 508.579 2.528 50 0 KFAARN COc1ccccc1N1CCN(C(=O)CSc2nnc3c(=O)n(Cc4ccccc4F)ccn23)CC1 ZINC000049421443 554323078 /nfs/dbraw/zinc/32/30/78/554323078.db2.gz KCFRBEGFRCDIMZ-UHFFFAOYSA-N 0 0 508.579 2.528 50 0 KFAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N3CCN(Cc4ccccc4)CC3)co1)CC2 ZINC000049543535 554323704 /nfs/dbraw/zinc/32/37/04/554323704.db2.gz ZRWNWFLYRWNKFX-UHFFFAOYSA-N 0 0 533.625 2.939 50 0 biogenic KFAARN COc1ccccc1CCNC(=O)COc1coc(CN2CCc3cc(OC)c(OC)cc3C2)cc1=O ZINC000049543591 554323675 /nfs/dbraw/zinc/32/36/75/554323675.db2.gz RCIBNDBJVYYUGN-UHFFFAOYSA-N 0 0 508.571 2.962 50 0 biogenic KFAARN COc1ccc(CCNC(=O)COc2coc(CN3CCc4cc(OC)c(OC)cc4C3)cc2=O)cc1 ZINC000049543650 554323619 /nfs/dbraw/zinc/32/36/19/554323619.db2.gz HJJBCSQCQKKITA-UHFFFAOYSA-N 0 0 508.571 2.962 50 0 biogenic KFAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N3CCN(c4ccccc4)CC3)co1)CC2 ZINC000049550294 554323580 /nfs/dbraw/zinc/32/35/80/554323580.db2.gz DDGFHHOIQWCTLY-UHFFFAOYSA-N 0 0 519.598 2.943 50 0 KFAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2C)c(C(=O)OCC)c1C ZINC000049722765 554324683 /nfs/dbraw/zinc/32/46/83/554324683.db2.gz KRSCUGFPNXKVCE-UHFFFAOYSA-N 0 0 575.669 2.964 50 0 KFAARN CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc1)nc2N1CCOCC1 ZINC000049745945 554324997 /nfs/dbraw/zinc/32/49/97/554324997.db2.gz ZAXFYGBKZSQBIV-UHFFFAOYSA-N 0 0 570.658 2.776 50 0 in-vivo KFAARN CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 ZINC000049841054 554326482 /nfs/dbraw/zinc/32/64/82/554326482.db2.gz BLMPQMFVWMYDKT-NZTKNTHTSA-N 0 0 719.924 2.584 50 0 fda KFAARN CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2c1=O ZINC000049872110 554326661 /nfs/dbraw/zinc/32/66/61/554326661.db2.gz OVHCTHHFOHMNFV-UHFFFAOYSA-N 0 0 529.022 2.654 50 0 in-vitro KFAARN COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)OC ZINC000049942359 554327373 /nfs/dbraw/zinc/32/73/73/554327373.db2.gz HILGGRLSUGSIMC-ZQGOCCMTSA-N 0 0 533.662 2.877 50 0 KFAARN COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)OC ZINC000049942360 554327370 /nfs/dbraw/zinc/32/73/70/554327370.db2.gz HILGGRLSUGSIMC-UTYLXRCDSA-N 0 0 533.662 2.877 50 0 KFAARN COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)OC ZINC000049942361 554327365 /nfs/dbraw/zinc/32/73/65/554327365.db2.gz HILGGRLSUGSIMC-MRFFJIIUSA-N 0 0 533.662 2.877 50 0 KFAARN COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)OC ZINC000049942362 554327282 /nfs/dbraw/zinc/32/72/82/554327282.db2.gz HILGGRLSUGSIMC-HSONZMSHSA-N 0 0 533.662 2.877 50 0 KFAARN CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCCN2CCOCC2)cc1 ZINC000053253498 554329946 /nfs/dbraw/zinc/32/99/46/554329946.db2.gz BZFBUWNNEGYNAZ-XMMPIXPASA-N 0 0 533.423 2.884 50 0 KFAARN CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCCN2CCOCC2)cc1 ZINC000053253501 554329921 /nfs/dbraw/zinc/32/99/21/554329921.db2.gz BZFBUWNNEGYNAZ-DEOSSOPVSA-N 0 0 533.423 2.884 50 0 KFAARN COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCCN2CCOCC2)c(OC)c1 ZINC000053253503 554329998 /nfs/dbraw/zinc/32/99/98/554329998.db2.gz NXQCAJGORDPSAH-XMMPIXPASA-N 0 0 549.422 2.502 50 0 KFAARN COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCCN2CCOCC2)c(OC)c1 ZINC000053253504 554330078 /nfs/dbraw/zinc/33/00/78/554330078.db2.gz NXQCAJGORDPSAH-DEOSSOPVSA-N 0 0 549.422 2.502 50 0 KFAARN COc1cc(C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc(OC)c1OC ZINC000054281454 554349016 /nfs/dbraw/zinc/34/90/16/554349016.db2.gz XGEWLKYHDCYSES-UHFFFAOYSA-N 0 0 503.555 2.920 50 0 KFAARN Cc1ccc(Cl)cc1N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)c2ccccc2)CC1 ZINC000056896001 554351079 /nfs/dbraw/zinc/35/10/79/554351079.db2.gz VIVIJSOBSWREHR-UHFFFAOYSA-N 0 0 506.994 2.590 50 0 KFAARN COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000056945174 554351440 /nfs/dbraw/zinc/35/14/40/554351440.db2.gz KUCCAGHOPWDZKI-QHCPKHFHSA-N 0 0 506.603 2.635 50 0 KFAARN COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000056945176 554351274 /nfs/dbraw/zinc/35/12/74/554351274.db2.gz KUCCAGHOPWDZKI-HSZRJFAPSA-N 0 0 506.603 2.635 50 0 KFAARN COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000056945455 554351298 /nfs/dbraw/zinc/35/12/98/554351298.db2.gz ARQSRUNCPZPGOI-QHCPKHFHSA-N 0 0 524.593 2.774 50 0 KFAARN COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000056945458 554351340 /nfs/dbraw/zinc/35/13/40/554351340.db2.gz ARQSRUNCPZPGOI-HSZRJFAPSA-N 0 0 524.593 2.774 50 0 KFAARN COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1OC ZINC000056945726 554351422 /nfs/dbraw/zinc/35/14/22/554351422.db2.gz FHQZNFQNEDHMCH-QHCPKHFHSA-N 0 0 524.593 2.774 50 0 KFAARN COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1OC ZINC000056945728 554351376 /nfs/dbraw/zinc/35/13/76/554351376.db2.gz FHQZNFQNEDHMCH-HSZRJFAPSA-N 0 0 524.593 2.774 50 0 KFAARN Cn1c2nc(CN3CCN(c4ccccc4)CC3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000057010834 554351666 /nfs/dbraw/zinc/35/16/66/554351666.db2.gz MHFPZMFNBAAWJC-UHFFFAOYSA-N 0 0 523.435 2.567 50 0 KFAARN Cn1c2nc(CN3CCN(c4ccc(F)cc4)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000057010856 554351636 /nfs/dbraw/zinc/35/16/36/554351636.db2.gz XSJHAUXISZLCJY-UHFFFAOYSA-N 0 0 514.964 2.736 50 0 KFAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccccc5)CC4)cc1)N(C)CC3)OCO2 ZINC000059101278 554377683 /nfs/dbraw/zinc/37/76/83/554377683.db2.gz AYQVNBNURUIABD-AREMUKBSSA-N 0 0 553.623 2.939 50 0 biogenic KFAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccccc5)CC4)cc1)N(C)CC3)OCO2 ZINC000059101280 554377542 /nfs/dbraw/zinc/37/75/42/554377542.db2.gz AYQVNBNURUIABD-SANMLTNESA-N 0 0 553.623 2.939 50 0 biogenic KFAARN COc1cccc(N2CCN(C(=O)c3ccc(-n4nnnc4[C@H]4c5c(cc6c(c5OC)OCO6)CCN4C)cc3)CC2)c1 ZINC000059101393 554377803 /nfs/dbraw/zinc/37/78/03/554377803.db2.gz QXQPJVNVZBGCIA-HHHXNRCGSA-N 0 0 583.649 2.948 50 0 biogenic KFAARN COc1cccc(N2CCN(C(=O)c3ccc(-n4nnnc4[C@@H]4c5c(cc6c(c5OC)OCO6)CCN4C)cc3)CC2)c1 ZINC000059101394 554377824 /nfs/dbraw/zinc/37/78/24/554377824.db2.gz QXQPJVNVZBGCIA-MHZLTWQESA-N 0 0 583.649 2.948 50 0 biogenic KFAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(=O)N1CCN(c4ccccc4)CC1)N(C)CC3)OCO2 ZINC000059101495 554377839 /nfs/dbraw/zinc/37/78/39/554377839.db2.gz LJPWXGCHUHUCHY-AREMUKBSSA-N 0 0 553.623 2.939 50 0 biogenic KFAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1C(=O)N1CCN(c4ccccc4)CC1)N(C)CC3)OCO2 ZINC000059101498 554377829 /nfs/dbraw/zinc/37/78/29/554377829.db2.gz LJPWXGCHUHUCHY-SANMLTNESA-N 0 0 553.623 2.939 50 0 biogenic KFAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)Nc4ccc(CCO)cc4)cc1)N(C)CC3)OCO2 ZINC000059101639 554377836 /nfs/dbraw/zinc/37/78/36/554377836.db2.gz XODQFHIAVOKPJD-XMMPIXPASA-N 0 0 528.569 2.764 50 0 biogenic KFAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)Nc4ccc(CCO)cc4)cc1)N(C)CC3)OCO2 ZINC000059101642 554377721 /nfs/dbraw/zinc/37/77/21/554377721.db2.gz XODQFHIAVOKPJD-DEOSSOPVSA-N 0 0 528.569 2.764 50 0 biogenic KFAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccccc5)CC4)c1)N(C)CC3)OCO2 ZINC000059101769 554378181 /nfs/dbraw/zinc/37/81/81/554378181.db2.gz ZRQNPVUCWWNKOV-AREMUKBSSA-N 0 0 553.623 2.939 50 0 biogenic KFAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccccc5)CC4)c1)N(C)CC3)OCO2 ZINC000059101772 554378159 /nfs/dbraw/zinc/37/81/59/554378159.db2.gz ZRQNPVUCWWNKOV-SANMLTNESA-N 0 0 553.623 2.939 50 0 biogenic KFAARN COc1cccc(N2CCN(C(=O)c3cccc(-n4nnnc4[C@H]4c5c(cc6c(c5OC)OCO6)CCN4C)c3)CC2)c1 ZINC000059101845 554377977 /nfs/dbraw/zinc/37/79/77/554377977.db2.gz DVDRINADKGLEDJ-HHHXNRCGSA-N 0 0 583.649 2.948 50 0 biogenic KFAARN COc1cccc(N2CCN(C(=O)c3cccc(-n4nnnc4[C@@H]4c5c(cc6c(c5OC)OCO6)CCN4C)c3)CC2)c1 ZINC000059101847 554378080 /nfs/dbraw/zinc/37/80/80/554378080.db2.gz DVDRINADKGLEDJ-MHZLTWQESA-N 0 0 583.649 2.948 50 0 biogenic KFAARN O=C1NCc2ccc(cc2)CNC(=O)c2cccc(n2)C(=O)NCc2ccc(cc2)CNC(=O)c2cccc1n2 ZINC000059127793 554381097 /nfs/dbraw/zinc/38/10/97/554381097.db2.gz YSULKCZBECAATG-UHFFFAOYSA-N 0 0 534.576 2.510 50 0 KFAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC(=O)N3CCOCC3)c2)cc1 ZINC000059489552 554398496 /nfs/dbraw/zinc/39/84/96/554398496.db2.gz WLQXLGCKPYILBR-UHFFFAOYSA-N 0 0 503.621 2.987 50 0 KFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN3CCN(c4ccccc4F)CC3)c2c1 ZINC000059513602 554400804 /nfs/dbraw/zinc/40/08/04/554400804.db2.gz VDXSTBZOFWOGMV-HXUWFJFHSA-N 0 0 555.676 2.782 50 0 KFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN3CCN(c4ccccc4F)CC3)c2c1 ZINC000059513603 554400795 /nfs/dbraw/zinc/40/07/95/554400795.db2.gz VDXSTBZOFWOGMV-FQEVSTJZSA-N 0 0 555.676 2.782 50 0 KFAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1 ZINC000059514322 554401256 /nfs/dbraw/zinc/40/12/56/554401256.db2.gz BZIRGXXPNYKZIM-UHFFFAOYSA-N 0 0 587.592 2.926 50 0 KFAARN CC[C@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2)C(=O)N1CCOCC1 ZINC000059514463 554401253 /nfs/dbraw/zinc/40/12/53/554401253.db2.gz LKTFZCAVQRGJCW-VWLOTQADSA-N 0 0 552.653 2.740 50 0 KFAARN CC[C@@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2)C(=O)N1CCOCC1 ZINC000059514466 554401211 /nfs/dbraw/zinc/40/12/11/554401211.db2.gz LKTFZCAVQRGJCW-RUZDIDTESA-N 0 0 552.653 2.740 50 0 KFAARN Cc1cc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000059515159 554402536 /nfs/dbraw/zinc/40/25/36/554402536.db2.gz HTPWOZIDSKCXFU-UHFFFAOYSA-N 0 0 538.969 2.800 50 0 KFAARN COc1cccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)c3c2=O)c1 ZINC000059515195 554402785 /nfs/dbraw/zinc/40/27/85/554402785.db2.gz JQJCOVWHZKTRLO-UHFFFAOYSA-N 0 0 583.692 2.933 50 0 KFAARN Cc1sc2ncn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000059515196 554402772 /nfs/dbraw/zinc/40/27/72/554402772.db2.gz GEOZEZHBUVZSNV-GASCZTMLSA-N 0 0 532.644 2.843 50 0 KFAARN Cc1sc2ncn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000059515197 554402797 /nfs/dbraw/zinc/40/27/97/554402797.db2.gz GEOZEZHBUVZSNV-GJZGRUSLSA-N 0 0 532.644 2.843 50 0 KFAARN Cc1sc2ncn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000059515198 554402812 /nfs/dbraw/zinc/40/28/12/554402812.db2.gz GEOZEZHBUVZSNV-HUUCEWRRSA-N 0 0 532.644 2.843 50 0 KFAARN O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000059523672 554405211 /nfs/dbraw/zinc/40/52/11/554405211.db2.gz IFPLSJLYJAOEMU-UHFFFAOYSA-N 0 0 515.589 2.624 50 0 KFAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NCc4ccc(F)cc4)c(=O)c32)CC1 ZINC000059524556 554405711 /nfs/dbraw/zinc/40/57/11/554405711.db2.gz CRAYGEAXDJAWKK-UHFFFAOYSA-N 0 0 585.683 2.741 50 0 KFAARN O=C1NC(=S)NC(=O)C12[C@@H](c1cccc(Br)c1)NC(=S)N[C@H]2c1cccc(Br)c1 ZINC000059524649 554405617 /nfs/dbraw/zinc/40/56/17/554405617.db2.gz GCZSELWZXRUUPS-OKILXGFUSA-N 0 0 554.289 2.989 50 0 KFAARN O=C1NC(=S)NC(=O)C12[C@H](c1cccc(Br)c1)NC(=S)N[C@H]2c1cccc(Br)c1 ZINC000059524654 554405664 /nfs/dbraw/zinc/40/56/64/554405664.db2.gz GCZSELWZXRUUPS-KBPBESRZSA-N 0 0 554.289 2.989 50 0 KFAARN O=C1NC(=S)NC(=O)C12[C@@H](c1cccc(Br)c1)NC(=S)N[C@@H]2c1cccc(Br)c1 ZINC000059524657 554405723 /nfs/dbraw/zinc/40/57/23/554405723.db2.gz GCZSELWZXRUUPS-ZIAGYGMSSA-N 0 0 554.289 2.989 50 0 KFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCN2CCN(c4ccccc4F)CC2)C(=O)CS3)CC1 ZINC000059525269 554406243 /nfs/dbraw/zinc/40/62/43/554406243.db2.gz RWQNCCIDRWMZJD-UHFFFAOYSA-N 0 0 589.759 2.623 50 0 KFAARN O=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000059525544 554406482 /nfs/dbraw/zinc/40/64/82/554406482.db2.gz UDFKSQPCYUXDFW-UHFFFAOYSA-N 0 0 541.537 2.850 50 0 KFAARN COc1cccc(N2CCN(C(=O)Nc3snnc3C(=O)N3CCN(c4cccc(OC)c4)CC3)CC2)c1 ZINC000059547263 554407119 /nfs/dbraw/zinc/40/71/19/554407119.db2.gz VFULIYKFHMBVNU-UHFFFAOYSA-N 0 0 537.646 2.872 50 0 KFAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)c5ccc(OC)c(OC)c5)CC4)cc3=O)s2)cc1 ZINC000059560493 554407390 /nfs/dbraw/zinc/40/73/90/554407390.db2.gz VOCBRNKPBGDNKH-UHFFFAOYSA-N 0 0 521.599 2.802 50 0 KFAARN O=C(NCc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000059586810 554407424 /nfs/dbraw/zinc/40/74/24/554407424.db2.gz NSHXBAZYFWQTDU-QHCPKHFHSA-N 0 0 534.059 2.720 50 0 KFAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059595786 554408265 /nfs/dbraw/zinc/40/82/65/554408265.db2.gz CTPUJQXZDZUJCN-UHFFFAOYSA-N 0 0 569.611 2.865 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCN2CCOCC2)cc1 ZINC000059596232 554408833 /nfs/dbraw/zinc/40/88/33/554408833.db2.gz GHYNKKCWPDMXGS-HSZRJFAPSA-N 0 0 540.642 2.535 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCN2CCOCC2)cc1 ZINC000059596235 554408802 /nfs/dbraw/zinc/40/88/02/554408802.db2.gz GHYNKKCWPDMXGS-QHCPKHFHSA-N 0 0 540.642 2.535 50 0 KFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000059608030 554410422 /nfs/dbraw/zinc/41/04/22/554410422.db2.gz PRYRMPUHBJJTHY-UHFFFAOYSA-N 0 0 537.638 2.959 50 0 KFAARN COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(I)c(OCCO)c(OC)c1 ZINC000059608271 554410804 /nfs/dbraw/zinc/41/08/04/554410804.db2.gz ZGFYQVWJEAZPRB-IBGZPJMESA-N 0 0 597.431 2.889 50 0 KFAARN COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(I)c(OCCO)c(OC)c1 ZINC000059608273 554410749 /nfs/dbraw/zinc/41/07/49/554410749.db2.gz ZGFYQVWJEAZPRB-LJQANCHMSA-N 0 0 597.431 2.889 50 0 KFAARN O=C(CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1)c1ccc(F)cc1 ZINC000059608564 554411698 /nfs/dbraw/zinc/41/16/98/554411698.db2.gz 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CCOC(=O)CSc1nc2cc3c(cc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3 ZINC000060230819 554504438 /nfs/dbraw/zinc/50/44/38/554504438.db2.gz VIXSYYJJYPHKOL-UHFFFAOYSA-N 0 0 543.598 2.547 50 0 KFAARN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000060272903 554504949 /nfs/dbraw/zinc/50/49/49/554504949.db2.gz PAJWAARTNUUTKR-MSKCEUEBSA-N 0 0 615.202 2.979 50 0 KFAARN CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000060272908 554504923 /nfs/dbraw/zinc/50/49/23/554504923.db2.gz PAJWAARTNUUTKR-DRLSZQQQSA-N 0 0 615.202 2.979 50 0 KFAARN O=C(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000060292598 554505524 /nfs/dbraw/zinc/50/55/24/554505524.db2.gz MPYUTOYNCCRZAC-VNSJUHMKSA-N 0 0 556.527 2.742 50 0 KFAARN O=C(OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000060292602 554505595 /nfs/dbraw/zinc/50/55/95/554505595.db2.gz MPYUTOYNCCRZAC-DZWGLGNASA-N 0 0 556.527 2.742 50 0 KFAARN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(N)=O)N[C@@]12c1cc(Br)ccc1NC2=O ZINC000061999538 554506346 /nfs/dbraw/zinc/50/63/46/554506346.db2.gz QXHHTWPQPJNDRS-YOEYROIRSA-N 0 0 507.772 2.751 50 0 biogenic KFAARN Cn1c2nc(CN3CCN(c4ccccc4F)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000062301133 554506624 /nfs/dbraw/zinc/50/66/24/554506624.db2.gz JTXGZMVJTZWPCQ-UHFFFAOYSA-N 0 0 514.964 2.736 50 0 KFAARN CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)CC1 ZINC000062564032 554506826 /nfs/dbraw/zinc/50/68/26/554506826.db2.gz MGBFDDXSLDUFLT-UHFFFAOYSA-N 0 0 510.638 2.661 50 0 KFAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000062566486 554506877 /nfs/dbraw/zinc/50/68/77/554506877.db2.gz VZQBATKNOMOQQV-UHFFFAOYSA-N 0 0 501.483 2.718 50 0 KFAARN CCCN(C(=O)COC(=O)COc1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000062572067 554507211 /nfs/dbraw/zinc/50/72/11/554507211.db2.gz YPNXBHWWGQJZLH-UHFFFAOYSA-N 0 0 522.602 2.830 50 0 KFAARN Cc1cc(C)c(OCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(C)c1 ZINC000062577398 554507161 /nfs/dbraw/zinc/50/71/61/554507161.db2.gz WREZBUMDPXRZQT-UHFFFAOYSA-N 0 0 522.602 2.704 50 0 KFAARN CS(=O)(=O)c1ccc([C@@H](O)CN(CCc2cccs2)C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000062587345 554507217 /nfs/dbraw/zinc/50/72/17/554507217.db2.gz XJHYTBYURNZUNN-PSWAGMNNSA-N 0 0 523.698 2.867 50 0 KFAARN CS(=O)(=O)c1ccc([C@@H](O)CN(CCc2cccs2)C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000062587347 554507197 /nfs/dbraw/zinc/50/71/97/554507197.db2.gz XJHYTBYURNZUNN-ZEQRLZLVSA-N 0 0 523.698 2.867 50 0 KFAARN CS(=O)(=O)c1ccc([C@H](O)CN(CCc2cccs2)C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000062587349 554507213 /nfs/dbraw/zinc/50/72/13/554507213.db2.gz XJHYTBYURNZUNN-DNQXCXABSA-N 0 0 523.698 2.867 50 0 KFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(OCCOC)c3)CC2)o1 ZINC000062590049 554507187 /nfs/dbraw/zinc/50/71/87/554507187.db2.gz SLTICYUXPLGLES-UHFFFAOYSA-N 0 0 510.565 2.530 50 0 KFAARN CCOC(=O)c1c(NC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)sc(C)c1-c1ccc(C)cc1 ZINC000062620646 554507389 /nfs/dbraw/zinc/50/73/89/554507389.db2.gz RKUONYXEPWVGKI-HXUWFJFHSA-N 0 0 519.689 2.952 50 0 KFAARN CCOC(=O)c1c(NC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)sc(C)c1-c1ccc(C)cc1 ZINC000062620649 554507490 /nfs/dbraw/zinc/50/74/90/554507490.db2.gz RKUONYXEPWVGKI-FQEVSTJZSA-N 0 0 519.689 2.952 50 0 KFAARN CCCN(C(=O)COC(=O)COc1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000062625896 554507479 /nfs/dbraw/zinc/50/74/79/554507479.db2.gz RUJLRDXQOBCVFD-UHFFFAOYSA-N 0 0 516.554 2.686 50 0 KFAARN COC(=O)CCCCCNC(=O)c1cccc(-n2c(C)cn(C(=O)NCCCCCC(=O)OC)c2=O)c1 ZINC000062628338 554507736 /nfs/dbraw/zinc/50/77/36/554507736.db2.gz RSWAXKALEBNCEZ-UHFFFAOYSA-N 0 0 516.595 2.702 50 0 KFAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000062656887 554507701 /nfs/dbraw/zinc/50/77/01/554507701.db2.gz GQBMPWUNNZTQRN-HNNXBMFYSA-N 0 0 510.410 2.554 50 0 KFAARN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000062656892 554507697 /nfs/dbraw/zinc/50/76/97/554507697.db2.gz GQBMPWUNNZTQRN-OAHLLOKOSA-N 0 0 510.410 2.554 50 0 KFAARN Cc1noc(CCCn2c(=O)c3cc4c(cc3n(CC(=O)Nc3cccc(Cl)c3C)c2=O)OCO4)n1 ZINC000062728278 554508628 /nfs/dbraw/zinc/50/86/28/554508628.db2.gz OABHSDKYOKUGEA-UHFFFAOYSA-N 0 0 511.922 2.817 50 0 KFAARN Cc1noc(CCCn2c(=O)c3cc4c(cc3n(CC(=O)Nc3cc(Cl)ccc3C)c2=O)OCO4)n1 ZINC000062728282 554508639 /nfs/dbraw/zinc/50/86/39/554508639.db2.gz FTSVFXWNGAOJLS-UHFFFAOYSA-N 0 0 511.922 2.817 50 0 KFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3nc(-c4ccccc4)no3)c2=O)cc1OC ZINC000062728303 554508578 /nfs/dbraw/zinc/50/85/78/554508578.db2.gz ZWRFJYWVRRKKFC-UHFFFAOYSA-N 0 0 513.510 2.917 50 0 KFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3nc(-c4ccccc4)no3)c2=O)c(OC)c1 ZINC000062728305 554508582 /nfs/dbraw/zinc/50/85/82/554508582.db2.gz SEDUJHCHEPPYRN-UHFFFAOYSA-N 0 0 513.510 2.917 50 0 KFAARN COc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCCN2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000063437229 554508914 /nfs/dbraw/zinc/50/89/14/554508914.db2.gz ASPRKQNOXWIZGQ-LJAQVGFWSA-N 0 0 531.613 2.839 50 0 KFAARN COc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCN2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000063437230 554508963 /nfs/dbraw/zinc/50/89/63/554508963.db2.gz ASPRKQNOXWIZGQ-GDLZYMKVSA-N 0 0 531.613 2.839 50 0 KFAARN O=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000063473078 554509294 /nfs/dbraw/zinc/50/92/94/554509294.db2.gz IROYETSLYZTOLW-UHFFFAOYSA-N 0 0 507.660 2.574 50 0 KFAARN O=C(NCCN1CCN(c2ccccc2F)CC1)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000063473079 554509377 /nfs/dbraw/zinc/50/93/77/554509377.db2.gz WLKAAHWDJFEFER-UHFFFAOYSA-N 0 0 525.650 2.713 50 0 KFAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](CC(N)=O)N[C@@]12c1cc(Br)ccc1NC2=O ZINC000064164095 554510874 /nfs/dbraw/zinc/51/08/74/554510874.db2.gz QXHHTWPQPJNDRS-VUCVNMQBSA-N 0 0 507.772 2.751 50 0 KFAARN COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3)c(=O)c2cc1OC ZINC000064449204 554510999 /nfs/dbraw/zinc/51/09/99/554510999.db2.gz PIEPQRUYLJCTBU-UHFFFAOYSA-N 0 0 518.545 2.857 50 0 KFAARN COc1cc2c(cc1OC)n(Cc1ccccc1)c(=O)n(Cc1ccc(C(=O)N3CCOCC3)cc1)c2=O ZINC000064449325 554511097 /nfs/dbraw/zinc/51/10/97/554511097.db2.gz UVZNKXWJCRSLSO-UHFFFAOYSA-N 0 0 515.566 2.749 50 0 KFAARN CCCCN(C)C(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC(C)C)c2=O)cc1 ZINC000064449327 554511041 /nfs/dbraw/zinc/51/10/41/554511041.db2.gz GQHXICKZGXUHOK-UHFFFAOYSA-N 0 0 524.618 2.625 50 0 KFAARN CCCCN(C)C(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCC)c2=O)cc1 ZINC000064449329 554511046 /nfs/dbraw/zinc/51/10/46/554511046.db2.gz GKLZYRJRLDPXSK-UHFFFAOYSA-N 0 0 524.618 2.627 50 0 KFAARN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)Cc2ccc(Cl)cc2)n(C)c(=O)c(=O)n3C)CC1 ZINC000064526086 554511769 /nfs/dbraw/zinc/51/17/69/554511769.db2.gz ORMGCCNOOYJOAR-UHFFFAOYSA-N 0 0 512.994 2.851 50 0 KFAARN CCOc1ccc(-n2ccn3c(CCCC(=O)N4CCN(Cc5ccccc5)CC4)nnc3c2=O)cc1 ZINC000064591653 554513223 /nfs/dbraw/zinc/51/32/23/554513223.db2.gz QRQTUFXLKGVRIT-UHFFFAOYSA-N 0 0 500.603 2.946 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000064621944 554513418 /nfs/dbraw/zinc/51/34/18/554513418.db2.gz UXSNYDQSKVOIOM-HSZRJFAPSA-N 0 0 555.440 2.728 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000064621946 554513311 /nfs/dbraw/zinc/51/33/11/554513311.db2.gz UXSNYDQSKVOIOM-QHCPKHFHSA-N 0 0 555.440 2.728 50 0 KFAARN CCOC(=O)Nc1ccc2c(COC(=O)[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)O)cc(=O)oc2c1 ZINC000064734952 554515196 /nfs/dbraw/zinc/51/51/96/554515196.db2.gz CFGHYQFQZZKBDZ-LRTDBIEQSA-N 0 0 538.962 2.786 50 0 KFAARN CCOC(=O)Nc1ccc2c(COC(=O)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)O)cc(=O)oc2c1 ZINC000064734953 554515178 /nfs/dbraw/zinc/51/51/78/554515178.db2.gz CFGHYQFQZZKBDZ-ASSNKEHSSA-N 0 0 538.962 2.786 50 0 KFAARN CCOC(=O)Nc1ccc2c(COC(=O)[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H](C)O)cc(=O)oc2c1 ZINC000064734954 554515189 /nfs/dbraw/zinc/51/51/89/554515189.db2.gz CFGHYQFQZZKBDZ-YEJXKQKISA-N 0 0 538.962 2.786 50 0 KFAARN CCOC(=O)Nc1ccc2c(COC(=O)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H](C)O)cc(=O)oc2c1 ZINC000064734955 554515209 /nfs/dbraw/zinc/51/52/09/554515209.db2.gz CFGHYQFQZZKBDZ-ZSEKCTLFSA-N 0 0 538.962 2.786 50 0 KFAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000064775042 554515170 /nfs/dbraw/zinc/51/51/70/554515170.db2.gz XPVGSCVFFYNVRB-UHFFFAOYSA-N 0 0 509.950 2.800 50 0 KFAARN CCOC(=O)c1cccc(NC(=O)Cn2c3c(C)nn(CC)c3c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000064775052 554515228 /nfs/dbraw/zinc/51/52/28/554515228.db2.gz UKQSNLALTWOWPZ-UHFFFAOYSA-N 0 0 507.522 2.691 50 0 KFAARN CCOC(=O)c1cccc(NC(=O)Cn2c3c(C)nn(CC)c3c(=O)n(CCc3ccccc3)c2=O)c1 ZINC000064775056 554515225 /nfs/dbraw/zinc/51/52/25/554515225.db2.gz AXALWFDSSHZFKY-UHFFFAOYSA-N 0 0 503.559 2.746 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)Cn2c3c(C)nn(CC)c3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000064775060 554515445 /nfs/dbraw/zinc/51/54/45/554515445.db2.gz AHLOKYVMBXTVFH-UHFFFAOYSA-N 0 0 503.559 2.746 50 0 KFAARN CCOc1ccc(CCNC(=O)Cn2c3c(C)nn(CC)c3c(=O)n(Cc3ccccc3)c2=O)cc1OCC ZINC000064775069 554515480 /nfs/dbraw/zinc/51/54/80/554515480.db2.gz HQYQVJRISQAYJI-UHFFFAOYSA-N 0 0 533.629 2.893 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)Cn2c3c(C)nn(CC)c3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000064775077 554515409 /nfs/dbraw/zinc/51/54/09/554515409.db2.gz CQHWOBKOQGRHGD-UHFFFAOYSA-N 0 0 507.522 2.691 50 0 KFAARN CCn1c(=O)c(-c2noc(CCC(=O)Nc3ccc(F)cc3F)n2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064888401 554519561 /nfs/dbraw/zinc/51/95/61/554519561.db2.gz WQEVENUYFLJQMS-UHFFFAOYSA-N 0 0 502.865 2.967 50 0 KFAARN CCc1ccc(CNC(=O)CCc2nc(-c3nn(-c4ccc(Cl)cc4)c(=O)n(CC)c3=O)no2)cc1 ZINC000064888421 554519582 /nfs/dbraw/zinc/51/95/82/554519582.db2.gz FGDAWMQGKDRWLB-UHFFFAOYSA-N 0 0 508.966 2.929 50 0 KFAARN CCn1c(=O)c(-c2noc(CCC(=O)Nc3cc(F)ccc3F)n2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064888426 554519550 /nfs/dbraw/zinc/51/95/50/554519550.db2.gz FGBDUBNVBOKLCN-UHFFFAOYSA-N 0 0 502.865 2.967 50 0 KFAARN CCn1c(=O)c(-c2noc(CCC(=O)NCCCc3ccccc3)n2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064888437 554519484 /nfs/dbraw/zinc/51/94/84/554519484.db2.gz VHKSBIAXZYAFGS-UHFFFAOYSA-N 0 0 508.966 2.799 50 0 KFAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(Br)cc4)CC3)cc2NC1=O ZINC000064890162 554519732 /nfs/dbraw/zinc/51/97/32/554519732.db2.gz VVVYVSXHPOGFPE-GOSISDBHSA-N 0 0 508.394 2.705 50 0 KFAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(Br)cc4)CC3)cc2NC1=O ZINC000064890163 554519753 /nfs/dbraw/zinc/51/97/53/554519753.db2.gz VVVYVSXHPOGFPE-SFHVURJKSA-N 0 0 508.394 2.705 50 0 KFAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4Br)CC3)cc2NC1=O ZINC000064890172 554519728 /nfs/dbraw/zinc/51/97/28/554519728.db2.gz ZWPBQGMERKKJEK-GOSISDBHSA-N 0 0 508.394 2.705 50 0 KFAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4Br)CC3)cc2NC1=O ZINC000064890173 554519777 /nfs/dbraw/zinc/51/97/77/554519777.db2.gz ZWPBQGMERKKJEK-SFHVURJKSA-N 0 0 508.394 2.705 50 0 KFAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4cccc(Br)c4)CC3)cc2NC1=O ZINC000064890196 554519730 /nfs/dbraw/zinc/51/97/30/554519730.db2.gz JHOKCXWCGOBILS-GOSISDBHSA-N 0 0 508.394 2.705 50 0 KFAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4cccc(Br)c4)CC3)cc2NC1=O ZINC000064890197 554519764 /nfs/dbraw/zinc/51/97/64/554519764.db2.gz JHOKCXWCGOBILS-SFHVURJKSA-N 0 0 508.394 2.705 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)ncn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000064952997 554520629 /nfs/dbraw/zinc/52/06/29/554520629.db2.gz DCCPSDHWKMIFAM-NDEPHWFRSA-N 0 0 519.602 2.771 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)ncn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000064953000 554520665 /nfs/dbraw/zinc/52/06/65/554520665.db2.gz DCCPSDHWKMIFAM-MUUNZHRXSA-N 0 0 519.602 2.771 50 0 KFAARN CCCN1C(=O)c2c(C(=O)N3CCN(c4ccccc4)CC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953247 554520974 /nfs/dbraw/zinc/52/09/74/554520974.db2.gz PDQPAKMSLVCUAX-LJAQVGFWSA-N 0 0 532.620 2.926 50 0 KFAARN CCCN1C(=O)c2c(C(=O)N3CCN(c4ccccc4)CC3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953250 554520918 /nfs/dbraw/zinc/52/09/18/554520918.db2.gz PDQPAKMSLVCUAX-GDLZYMKVSA-N 0 0 532.620 2.926 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953291 554520914 /nfs/dbraw/zinc/52/09/14/554520914.db2.gz RPVLEYLBACBRFJ-MHZLTWQESA-N 0 0 507.566 2.902 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953294 554520930 /nfs/dbraw/zinc/52/09/30/554520930.db2.gz RPVLEYLBACBRFJ-HHHXNRCGSA-N 0 0 507.566 2.902 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3OC)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953318 554520977 /nfs/dbraw/zinc/52/09/77/554520977.db2.gz PZRBTNHLJUVAMC-MHZLTWQESA-N 0 0 507.566 2.902 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3OC)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953321 554520953 /nfs/dbraw/zinc/52/09/53/554520953.db2.gz PZRBTNHLJUVAMC-HHHXNRCGSA-N 0 0 507.566 2.902 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCCc3ccccc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953476 554521202 /nfs/dbraw/zinc/52/12/02/554521202.db2.gz IIZUQZIGFZNKND-NDEPHWFRSA-N 0 0 503.603 2.805 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCCc3ccccc3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953479 554521154 /nfs/dbraw/zinc/52/11/54/554521154.db2.gz IIZUQZIGFZNKND-MUUNZHRXSA-N 0 0 503.603 2.805 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3cccc(OC)c3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953491 554521176 /nfs/dbraw/zinc/52/11/76/554521176.db2.gz LQUFENGUSNTPEO-NDEPHWFRSA-N 0 0 519.602 2.771 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3cccc(OC)c3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953493 554521208 /nfs/dbraw/zinc/52/12/08/554521208.db2.gz LQUFENGUSNTPEO-MUUNZHRXSA-N 0 0 519.602 2.771 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(F)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953497 554521193 /nfs/dbraw/zinc/52/11/93/554521193.db2.gz WYWMVKRXAVBKMB-MHZLTWQESA-N 0 0 507.566 2.902 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(F)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953499 554521190 /nfs/dbraw/zinc/52/11/90/554521190.db2.gz WYWMVKRXAVBKMB-HHHXNRCGSA-N 0 0 507.566 2.902 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCCc3cccs3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953527 554521433 /nfs/dbraw/zinc/52/14/33/554521433.db2.gz PDMUCNPTRHTADX-SANMLTNESA-N 0 0 509.632 2.867 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCCc3cccs3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953528 554521402 /nfs/dbraw/zinc/52/14/02/554521402.db2.gz PDMUCNPTRHTADX-AREMUKBSSA-N 0 0 509.632 2.867 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953531 554521413 /nfs/dbraw/zinc/52/14/13/554521413.db2.gz QEUDPVDSNABGKN-MHZLTWQESA-N 0 0 507.566 2.902 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953535 554521417 /nfs/dbraw/zinc/52/14/17/554521417.db2.gz QEUDPVDSNABGKN-HHHXNRCGSA-N 0 0 507.566 2.902 50 0 KFAARN CCN1C(=O)c2c(C(=O)NCc3cccc(Br)c3)ncn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064953607 554521451 /nfs/dbraw/zinc/52/14/51/554521451.db2.gz QWBLVKOVOHQDQX-QHCPKHFHSA-N 0 0 502.413 2.869 50 0 KFAARN CCN1C(=O)c2c(C(=O)NCc3cccc(Br)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064953610 554521419 /nfs/dbraw/zinc/52/14/19/554521419.db2.gz QWBLVKOVOHQDQX-HSZRJFAPSA-N 0 0 502.413 2.869 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(OC)cc3OC)ncn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064953714 554521406 /nfs/dbraw/zinc/52/14/06/554521406.db2.gz GDKFBXVIKDWTEA-MHZLTWQESA-N 0 0 511.623 2.556 50 0 KFAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(OC)cc3OC)ncn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064953717 554521411 /nfs/dbraw/zinc/52/14/11/554521411.db2.gz GDKFBXVIKDWTEA-HHHXNRCGSA-N 0 0 511.623 2.556 50 0 KFAARN COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1 ZINC000064953903 554521554 /nfs/dbraw/zinc/52/15/54/554521554.db2.gz HCGVNOGXUKCVDT-NDEPHWFRSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1 ZINC000064953905 554521581 /nfs/dbraw/zinc/52/15/81/554521581.db2.gz HCGVNOGXUKCVDT-MUUNZHRXSA-N 0 0 501.587 2.823 50 0 KFAARN Cc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)N4CCN(c5ccccc5)CC4)c3C(=O)N2C2CC2)cc1 ZINC000064953912 554521620 /nfs/dbraw/zinc/52/16/20/554521620.db2.gz VVAXICUTXIHRNP-PMERELPUSA-N 0 0 526.641 2.847 50 0 KFAARN Cc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)N4CCN(c5ccccc5)CC4)c3C(=O)N2C2CC2)cc1 ZINC000064953914 554521627 /nfs/dbraw/zinc/52/16/27/554521627.db2.gz VVAXICUTXIHRNP-SSEXGKCCSA-N 0 0 526.641 2.847 50 0 KFAARN COc1ccccc1CNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(C)cc1)C2 ZINC000064953947 554521631 /nfs/dbraw/zinc/52/16/31/554521631.db2.gz TWIBCVAAAARZEJ-NDEPHWFRSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccccc1CNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccc(C)cc1)C2 ZINC000064953949 554521624 /nfs/dbraw/zinc/52/16/24/554521624.db2.gz TWIBCVAAAARZEJ-MUUNZHRXSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)c(OC)c1 ZINC000064954036 554521614 /nfs/dbraw/zinc/52/16/14/554521614.db2.gz MOPMINHCFXHYLV-HHHXNRCGSA-N 0 0 521.549 2.985 50 0 KFAARN COc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)c(OC)c1 ZINC000064954038 554521602 /nfs/dbraw/zinc/52/16/02/554521602.db2.gz MOPMINHCFXHYLV-MHZLTWQESA-N 0 0 521.549 2.985 50 0 KFAARN COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1 ZINC000064954049 554521637 /nfs/dbraw/zinc/52/16/37/554521637.db2.gz JETJJRFHAQPZNI-HHHXNRCGSA-N 0 0 505.550 2.654 50 0 KFAARN COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1 ZINC000064954050 554521647 /nfs/dbraw/zinc/52/16/47/554521647.db2.gz JETJJRFHAQPZNI-MHZLTWQESA-N 0 0 505.550 2.654 50 0 KFAARN COC(=O)c1ccccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000064954052 554521564 /nfs/dbraw/zinc/52/15/64/554521564.db2.gz AVJVLNZAWRIKDR-HHHXNRCGSA-N 0 0 519.533 2.754 50 0 KFAARN COC(=O)c1ccccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000064954053 554521579 /nfs/dbraw/zinc/52/15/79/554521579.db2.gz AVJVLNZAWRIKDR-MHZLTWQESA-N 0 0 519.533 2.754 50 0 KFAARN Cc1ccc(CCNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1 ZINC000064954117 554521820 /nfs/dbraw/zinc/52/18/20/554521820.db2.gz GXKQFISLZDPTTM-NDEPHWFRSA-N 0 0 503.578 2.996 50 0 KFAARN Cc1ccc(CCNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1 ZINC000064954120 554521828 /nfs/dbraw/zinc/52/18/28/554521828.db2.gz GXKQFISLZDPTTM-MUUNZHRXSA-N 0 0 503.578 2.996 50 0 KFAARN COc1cccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)c1 ZINC000064954138 554521799 /nfs/dbraw/zinc/52/17/99/554521799.db2.gz ILCQGAVYRBYGGW-HHHXNRCGSA-N 0 0 505.550 2.654 50 0 KFAARN COc1cccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)c1 ZINC000064954140 554521807 /nfs/dbraw/zinc/52/18/07/554521807.db2.gz ILCQGAVYRBYGGW-MHZLTWQESA-N 0 0 505.550 2.654 50 0 KFAARN C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3ccc4c(c3)OCCO4)c2C(=O)N1C1CC1 ZINC000064954151 554521825 /nfs/dbraw/zinc/52/18/25/554521825.db2.gz SOFMXWBZCJXFLN-HHHXNRCGSA-N 0 0 519.533 2.739 50 0 KFAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3ccc4c(c3)OCCO4)c2C(=O)N1C1CC1 ZINC000064954152 554521738 /nfs/dbraw/zinc/52/17/38/554521738.db2.gz SOFMXWBZCJXFLN-MHZLTWQESA-N 0 0 519.533 2.739 50 0 KFAARN COc1ccccc1CCNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000064954210 554521770 /nfs/dbraw/zinc/52/17/70/554521770.db2.gz UDOXJKWJFNWTGG-MUUNZHRXSA-N 0 0 519.577 2.697 50 0 KFAARN COc1ccccc1CCNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000064954211 554521818 /nfs/dbraw/zinc/52/18/18/554521818.db2.gz UDOXJKWJFNWTGG-NDEPHWFRSA-N 0 0 519.577 2.697 50 0 KFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)Nc4ccc(Cl)cn4)c3C(=O)N2C2CC2)cc1 ZINC000064954230 554521982 /nfs/dbraw/zinc/52/19/82/554521982.db2.gz BGGFIDWETQPAGG-RUZDIDTESA-N 0 0 508.966 2.886 50 0 KFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)Nc4ccc(Cl)cn4)c3C(=O)N2C2CC2)cc1 ZINC000064954232 554521977 /nfs/dbraw/zinc/52/19/77/554521977.db2.gz BGGFIDWETQPAGG-VWLOTQADSA-N 0 0 508.966 2.886 50 0 KFAARN COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(OC)cc2)C3)cc1 ZINC000064954287 554521953 /nfs/dbraw/zinc/52/19/53/554521953.db2.gz FNMBZHJLJMAPIO-MUUNZHRXSA-N 0 0 517.586 2.524 50 0 KFAARN COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(OC)cc2)C3)cc1 ZINC000064954288 554521974 /nfs/dbraw/zinc/52/19/74/554521974.db2.gz FNMBZHJLJMAPIO-NDEPHWFRSA-N 0 0 517.586 2.524 50 0 KFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCc4ccc(C)cc4)c3C(=O)N2C2CC2)cc1 ZINC000064954289 554522005 /nfs/dbraw/zinc/52/20/05/554522005.db2.gz YAIQIERDSWHGOX-NDEPHWFRSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCc4ccc(C)cc4)c3C(=O)N2C2CC2)cc1 ZINC000064954292 554522011 /nfs/dbraw/zinc/52/20/11/554522011.db2.gz YAIQIERDSWHGOX-MUUNZHRXSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCc4cccc(C)c4)c3C(=O)N2C2CC2)cc1 ZINC000064954313 554521966 /nfs/dbraw/zinc/52/19/66/554521966.db2.gz RORQNECAAWWOPW-NDEPHWFRSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCc4cccc(C)c4)c3C(=O)N2C2CC2)cc1 ZINC000064954315 554521969 /nfs/dbraw/zinc/52/19/69/554521969.db2.gz RORQNECAAWWOPW-MUUNZHRXSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCCc4ccccc4)c3C(=O)N2C2CC2)cc1 ZINC000064954318 554522040 /nfs/dbraw/zinc/52/20/40/554522040.db2.gz CQMLLPMVMXEXIF-MUUNZHRXSA-N 0 0 501.587 2.558 50 0 KFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCCc4ccccc4)c3C(=O)N2C2CC2)cc1 ZINC000064954320 554521957 /nfs/dbraw/zinc/52/19/57/554521957.db2.gz CQMLLPMVMXEXIF-NDEPHWFRSA-N 0 0 501.587 2.558 50 0 KFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCCc4ccc(C)cc4)c3C(=O)N2C2CC2)cc1 ZINC000064954326 554521962 /nfs/dbraw/zinc/52/19/62/554521962.db2.gz IOOOSQPZWPXEGT-LJAQVGFWSA-N 0 0 515.614 2.866 50 0 KFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCCc4ccc(C)cc4)c3C(=O)N2C2CC2)cc1 ZINC000064954327 554522022 /nfs/dbraw/zinc/52/20/22/554522022.db2.gz IOOOSQPZWPXEGT-GDLZYMKVSA-N 0 0 515.614 2.866 50 0 KFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCc4ccccc4OC)c3C(=O)N2C2CC2)cc1 ZINC000064954333 554522037 /nfs/dbraw/zinc/52/20/37/554522037.db2.gz LOYIYNGFVSKCOJ-MUUNZHRXSA-N 0 0 517.586 2.524 50 0 KFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCc4ccccc4OC)c3C(=O)N2C2CC2)cc1 ZINC000064954337 554522000 /nfs/dbraw/zinc/52/20/00/554522000.db2.gz LOYIYNGFVSKCOJ-NDEPHWFRSA-N 0 0 517.586 2.524 50 0 KFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCc4cccc(OC)c4)c3C(=O)N2C2CC2)cc1 ZINC000064954338 554521945 /nfs/dbraw/zinc/52/19/45/554521945.db2.gz UEHHMPAXWJUWQA-MUUNZHRXSA-N 0 0 517.586 2.524 50 0 KFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCc4cccc(OC)c4)c3C(=O)N2C2CC2)cc1 ZINC000064954341 554521996 /nfs/dbraw/zinc/52/19/96/554521996.db2.gz UEHHMPAXWJUWQA-NDEPHWFRSA-N 0 0 517.586 2.524 50 0 KFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCc4ccc(F)cc4)c3C(=O)N2C2CC2)cc1 ZINC000064954343 554522026 /nfs/dbraw/zinc/52/20/26/554522026.db2.gz RCOPMLBSWFJVAR-HHHXNRCGSA-N 0 0 505.550 2.654 50 0 KFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCc4ccc(F)cc4)c3C(=O)N2C2CC2)cc1 ZINC000064954345 554521989 /nfs/dbraw/zinc/52/19/89/554521989.db2.gz RCOPMLBSWFJVAR-MHZLTWQESA-N 0 0 505.550 2.654 50 0 KFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCCc4cccs4)c3C(=O)N2C2CC2)cc1 ZINC000064954386 554522251 /nfs/dbraw/zinc/52/22/51/554522251.db2.gz SGUKILMPAWMNFP-AREMUKBSSA-N 0 0 507.616 2.619 50 0 KFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCCc4cccs4)c3C(=O)N2C2CC2)cc1 ZINC000064954390 554522231 /nfs/dbraw/zinc/52/22/31/554522231.db2.gz SGUKILMPAWMNFP-SANMLTNESA-N 0 0 507.616 2.619 50 0 KFAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCc4cccc(F)c4)c3C(=O)N2C2CC2)cc1 ZINC000064954397 554522211 /nfs/dbraw/zinc/52/22/11/554522211.db2.gz XLYWBXMVGUIBHD-HHHXNRCGSA-N 0 0 505.550 2.654 50 0 KFAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCc4cccc(F)c4)c3C(=O)N2C2CC2)cc1 ZINC000064954400 554522190 /nfs/dbraw/zinc/52/21/90/554522190.db2.gz XLYWBXMVGUIBHD-MHZLTWQESA-N 0 0 505.550 2.654 50 0 KFAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)NCc3ccc(C)cc3)c2C(=O)N1C1CC1 ZINC000064954775 554522186 /nfs/dbraw/zinc/52/21/86/554522186.db2.gz ZUJBGVUWXTWEAM-NDEPHWFRSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)NCc3ccc(C)cc3)c2C(=O)N1C1CC1 ZINC000064954776 554522188 /nfs/dbraw/zinc/52/21/88/554522188.db2.gz ZUJBGVUWXTWEAM-MUUNZHRXSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)NCc3cccc(C)c3)c2C(=O)N1C1CC1 ZINC000064954818 554522440 /nfs/dbraw/zinc/52/24/40/554522440.db2.gz CSBNXSYVWKSQDI-NDEPHWFRSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)NCc3cccc(C)c3)c2C(=O)N1C1CC1 ZINC000064954822 554522374 /nfs/dbraw/zinc/52/23/74/554522374.db2.gz CSBNXSYVWKSQDI-MUUNZHRXSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)NCc3ccc(F)cc3)c2C(=O)N1C1CC1 ZINC000064954824 554522388 /nfs/dbraw/zinc/52/23/88/554522388.db2.gz NQPWWHRZWQSFAS-HHHXNRCGSA-N 0 0 505.550 2.654 50 0 KFAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)NCc3ccc(F)cc3)c2C(=O)N1C1CC1 ZINC000064954827 554522429 /nfs/dbraw/zinc/52/24/29/554522429.db2.gz NQPWWHRZWQSFAS-MHZLTWQESA-N 0 0 505.550 2.654 50 0 KFAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)Nc3ccccc3OC)c2C(=O)N1C1CC1 ZINC000064954834 554522379 /nfs/dbraw/zinc/52/23/79/554522379.db2.gz PEJPEOMOUXPCMS-HHHXNRCGSA-N 0 0 503.559 2.846 50 0 KFAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)Nc3ccccc3OC)c2C(=O)N1C1CC1 ZINC000064954837 554522410 /nfs/dbraw/zinc/52/24/10/554522410.db2.gz PEJPEOMOUXPCMS-MHZLTWQESA-N 0 0 503.559 2.846 50 0 KFAARN CCOc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccccc2OC)C3)cc1 ZINC000064954844 554522408 /nfs/dbraw/zinc/52/24/08/554522408.db2.gz UYMLNSKULLULIO-LJAQVGFWSA-N 0 0 531.613 2.914 50 0 KFAARN CCOc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccccc2OC)C3)cc1 ZINC000064954846 554522371 /nfs/dbraw/zinc/52/23/71/554522371.db2.gz UYMLNSKULLULIO-GDLZYMKVSA-N 0 0 531.613 2.914 50 0 KFAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)NCc3cccc(F)c3)c2C(=O)N1C1CC1 ZINC000064954848 554522443 /nfs/dbraw/zinc/52/24/43/554522443.db2.gz MVOATVGIABNINH-HHHXNRCGSA-N 0 0 505.550 2.654 50 0 KFAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)NCc3cccc(F)c3)c2C(=O)N1C1CC1 ZINC000064954850 554522433 /nfs/dbraw/zinc/52/24/33/554522433.db2.gz MVOATVGIABNINH-MHZLTWQESA-N 0 0 505.550 2.654 50 0 KFAARN COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2cccc(C)c2)C3)cc1 ZINC000064954900 554522384 /nfs/dbraw/zinc/52/23/84/554522384.db2.gz WAZUDBMJLHDXJN-NDEPHWFRSA-N 0 0 501.587 2.823 50 0 KFAARN COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2cccc(C)c2)C3)cc1 ZINC000064954903 554522426 /nfs/dbraw/zinc/52/24/26/554522426.db2.gz WAZUDBMJLHDXJN-MUUNZHRXSA-N 0 0 501.587 2.823 50 0 KFAARN COc1cccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2cccc(C)c2)C3)c1 ZINC000064954951 554522406 /nfs/dbraw/zinc/52/24/06/554522406.db2.gz QNBWAUHUJWLIFE-NDEPHWFRSA-N 0 0 501.587 2.823 50 0 KFAARN COc1cccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2cccc(C)c2)C3)c1 ZINC000064954952 554522382 /nfs/dbraw/zinc/52/23/82/554522382.db2.gz QNBWAUHUJWLIFE-MUUNZHRXSA-N 0 0 501.587 2.823 50 0 KFAARN Cc1noc(C)c1CCNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccccc1Cl)C2 ZINC000064955111 554522655 /nfs/dbraw/zinc/52/26/55/554522655.db2.gz GNRGWPIADLNIRK-SANMLTNESA-N 0 0 525.009 2.807 50 0 KFAARN Cc1noc(C)c1CCNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1Cl)C2 ZINC000064955112 554522664 /nfs/dbraw/zinc/52/26/64/554522664.db2.gz GNRGWPIADLNIRK-AREMUKBSSA-N 0 0 525.009 2.807 50 0 KFAARN 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ZINC000064965561 554522776 /nfs/dbraw/zinc/52/27/76/554522776.db2.gz XBKMPKBUDOSTBH-QGZVFWFLSA-N 0 0 519.645 2.820 50 0 KFAARN CCOc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@H](C)C1=O ZINC000064965562 554522786 /nfs/dbraw/zinc/52/27/86/554522786.db2.gz YSOGHBUVTJJDBK-KRWDZBQOSA-N 0 0 519.645 2.820 50 0 KFAARN CCOc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@@H](C)C1=O ZINC000064965563 554522780 /nfs/dbraw/zinc/52/27/80/554522780.db2.gz YSOGHBUVTJJDBK-QGZVFWFLSA-N 0 0 519.645 2.820 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000064979320 554523344 /nfs/dbraw/zinc/52/33/44/554523344.db2.gz PBCMAGOPZXNKDQ-UHFFFAOYSA-N 0 0 507.609 2.875 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nnc(SCC)s2)CC1 ZINC000064979358 554523352 /nfs/dbraw/zinc/52/33/52/554523352.db2.gz OZJUWADVIBWDAD-UHFFFAOYSA-N 0 0 515.683 2.822 50 0 KFAARN CCCn1c2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)cc2sc1=O ZINC000065022302 554524702 /nfs/dbraw/zinc/52/47/02/554524702.db2.gz LENJTWROIUTDRV-UHFFFAOYSA-N 0 0 517.629 2.919 50 0 KFAARN CCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(Br)o4)CC3)ccc21 ZINC000065032721 554524737 /nfs/dbraw/zinc/52/47/37/554524737.db2.gz NRKBYPCIFTUKHQ-UHFFFAOYSA-N 0 0 500.396 2.585 50 0 KFAARN CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(OC)cc4OC)CC3)cc2sc1=O ZINC000065032844 554524714 /nfs/dbraw/zinc/52/47/14/554524714.db2.gz AVCUHJPSSZVMMV-UHFFFAOYSA-N 0 0 505.618 2.637 50 0 KFAARN CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4cccc(NC(C)=O)c4C)CC3)cc2sc1=O ZINC000065032846 554524743 /nfs/dbraw/zinc/52/47/43/554524743.db2.gz BBFPTDUNSOIMQE-UHFFFAOYSA-N 0 0 516.645 2.887 50 0 KFAARN CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(C)c(NC(C)=O)c4)CC3)cc2sc1=O ZINC000065032847 554524685 /nfs/dbraw/zinc/52/46/85/554524685.db2.gz JBXCLUPTPSTMHE-UHFFFAOYSA-N 0 0 516.645 2.887 50 0 KFAARN CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(Br)o4)CC3)ccc21 ZINC000065032855 554524780 /nfs/dbraw/zinc/52/47/80/554524780.db2.gz PXMDXMMSUYGODG-UHFFFAOYSA-N 0 0 514.423 2.975 50 0 KFAARN CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4cccc(OC)c4OC)CC3)cc2sc1=O ZINC000065032870 554524732 /nfs/dbraw/zinc/52/47/32/554524732.db2.gz MOWVDPJZOPGSPL-UHFFFAOYSA-N 0 0 505.618 2.637 50 0 KFAARN CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)cc2sc1=O ZINC000065032873 554524759 /nfs/dbraw/zinc/52/47/59/554524759.db2.gz TXDKPMARAVXLKM-UHFFFAOYSA-N 0 0 505.618 2.637 50 0 KFAARN CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4cccc(NC(C)=O)c4)CC3)cc2sc1=O ZINC000065032926 554524763 /nfs/dbraw/zinc/52/47/63/554524763.db2.gz PLIXDIICLHBYOI-UHFFFAOYSA-N 0 0 502.618 2.578 50 0 KFAARN CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(NC(C)=O)cc4)CC3)cc2sc1=O ZINC000065032946 554524935 /nfs/dbraw/zinc/52/49/35/554524935.db2.gz UFWZJLQADPTMMR-UHFFFAOYSA-N 0 0 502.618 2.578 50 0 KFAARN CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)cc2sc1=O ZINC000065032952 554524974 /nfs/dbraw/zinc/52/49/74/554524974.db2.gz RISNUSVAENWCQI-UHFFFAOYSA-N 0 0 505.618 2.637 50 0 KFAARN CC(C)n1c2ccc(S(=O)(=O)N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)cc2sc1=O ZINC000065032986 554524916 /nfs/dbraw/zinc/52/49/16/554524916.db2.gz KVXZIEJMCJSDDL-UHFFFAOYSA-N 0 0 513.597 2.897 50 0 KFAARN CCSc1nc2c(s1)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000065100787 554525039 /nfs/dbraw/zinc/52/50/39/554525039.db2.gz QDRRLZQLUJQTMR-UHFFFAOYSA-N 0 0 516.626 2.763 50 0 KFAARN CCN1CCN(C(=O)c2nn3c(nc(C)cc3C)c2-c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000065119042 554525301 /nfs/dbraw/zinc/52/53/01/554525301.db2.gz BOMSEPFLOHCFTR-UHFFFAOYSA-N 0 0 526.663 2.584 50 0 KFAARN COCCCNC(=O)c1nn2c(nc(C)cc2C)c1-c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC000065119044 554525290 /nfs/dbraw/zinc/52/52/90/554525290.db2.gz YBJQCAHSIHHMMN-UHFFFAOYSA-N 0 0 501.609 2.573 50 0 KFAARN COc1ccc(-c2c(C(=O)N3CCN(C)CC3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000065119082 554525240 /nfs/dbraw/zinc/52/52/40/554525240.db2.gz JMBJITSHIUJLIE-UHFFFAOYSA-N 0 0 526.663 2.584 50 0 KFAARN COc1ccc(-c2c(C(=O)N3CCOCC3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000065119090 554525235 /nfs/dbraw/zinc/52/52/35/554525235.db2.gz IUHYMIHGIDIGNC-UHFFFAOYSA-N 0 0 513.620 2.669 50 0 KFAARN COCCNC(=O)c1nn2c(nc(C)cc2C)c1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000065119093 554525294 /nfs/dbraw/zinc/52/52/94/554525294.db2.gz RNHKETAWDNBGJD-UHFFFAOYSA-N 0 0 501.609 2.573 50 0 KFAARN COCCCNC(=O)c1nn2c(nc(C)cc2C)c1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000065119097 554525258 /nfs/dbraw/zinc/52/52/58/554525258.db2.gz CVZYENMESDFTDX-UHFFFAOYSA-N 0 0 515.636 2.963 50 0 KFAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)C4CCN(S(=O)(=O)N5CCCC5)CC4)ccc32)c1 ZINC000065305017 554526212 /nfs/dbraw/zinc/52/62/12/554526212.db2.gz FUMRABLOHGHWAH-UHFFFAOYSA-N 0 0 510.660 2.867 50 0 KFAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)[C@@H]4CCCN(S(=O)(=O)N5CCCC5)C4)ccc32)c1 ZINC000065305018 554526273 /nfs/dbraw/zinc/52/62/73/554526273.db2.gz USYXKACSSQOLGU-XMMPIXPASA-N 0 0 510.660 2.867 50 0 KFAARN 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O=C(c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000066138869 554529012 /nfs/dbraw/zinc/52/90/12/554529012.db2.gz YEDQZIOMEZEVTF-QPJJXVBHSA-N 0 0 534.476 2.941 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000066147991 554529009 /nfs/dbraw/zinc/52/90/09/554529009.db2.gz ORBWOSGHCKXGIO-KDURUIRLSA-N 0 0 551.687 2.920 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000066147997 554529209 /nfs/dbraw/zinc/52/92/09/554529209.db2.gz ORBWOSGHCKXGIO-OALUTQOASA-N 0 0 551.687 2.920 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000066148001 554528995 /nfs/dbraw/zinc/52/89/95/554528995.db2.gz ORBWOSGHCKXGIO-RTBURBONSA-N 0 0 551.687 2.920 50 0 KFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1Cl ZINC000066148037 554529059 /nfs/dbraw/zinc/52/90/59/554529059.db2.gz WEUSJJGHXMVCOA-UHFFFAOYSA-N 0 0 536.097 2.634 50 0 KFAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000066156409 554529350 /nfs/dbraw/zinc/52/93/50/554529350.db2.gz NZFQBNZUMCKMCR-UHFFFAOYSA-N 0 0 545.639 2.794 50 0 KFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000066156525 554529399 /nfs/dbraw/zinc/52/93/99/554529399.db2.gz LIRZHDXIAQOFTJ-UHFFFAOYSA-N 0 0 549.646 2.602 50 0 KFAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000066166666 554529450 /nfs/dbraw/zinc/52/94/50/554529450.db2.gz RRWIIAPDVJFQJW-KDURUIRLSA-N 0 0 535.688 2.935 50 0 KFAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000066166667 554529389 /nfs/dbraw/zinc/52/93/89/554529389.db2.gz RRWIIAPDVJFQJW-OALUTQOASA-N 0 0 535.688 2.935 50 0 KFAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000066166669 554529393 /nfs/dbraw/zinc/52/93/93/554529393.db2.gz RRWIIAPDVJFQJW-RTBURBONSA-N 0 0 535.688 2.935 50 0 KFAARN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000066252486 554529660 /nfs/dbraw/zinc/52/96/60/554529660.db2.gz LFENNKJXXBJKPB-HXUWFJFHSA-N 0 0 526.640 2.957 50 0 KFAARN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000066252487 554529885 /nfs/dbraw/zinc/52/98/85/554529885.db2.gz LFENNKJXXBJKPB-FQEVSTJZSA-N 0 0 526.640 2.957 50 0 KFAARN COc1ccc(C(N)=O)cc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CCc2ccccc2)c1=O ZINC000067291969 554530104 /nfs/dbraw/zinc/53/01/04/554530104.db2.gz ZQUHGWVUKKOCLP-UHFFFAOYSA-N 0 0 512.522 2.898 50 0 KFAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N(CC)Cc2ccccc2)CC1 ZINC000067336894 554530585 /nfs/dbraw/zinc/53/05/85/554530585.db2.gz HKJIMPMBRYJCJZ-UHFFFAOYSA-N 0 0 511.648 2.992 50 0 KFAARN Cn1cc(C(=O)N2CCc3ccccc3C2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337138 554530653 /nfs/dbraw/zinc/53/06/53/554530653.db2.gz UMZHDBAWBDFJMR-UHFFFAOYSA-N 0 0 500.024 2.783 50 0 KFAARN Cn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337199 554531034 /nfs/dbraw/zinc/53/10/34/554531034.db2.gz BKBFUKGPKWIBER-UHFFFAOYSA-N 0 0 529.066 2.547 50 0 KFAARN CCCn1cc(C(=O)N2CCN(CCC)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337380 554530992 /nfs/dbraw/zinc/53/09/92/554530992.db2.gz MFPNHYBVCZHQQQ-UHFFFAOYSA-N 0 0 523.103 2.625 50 0 KFAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)N3CCN(c4ccccc4)CC3)CC2)c1 ZINC000067337439 554531336 /nfs/dbraw/zinc/53/13/36/554531336.db2.gz JCVNREKGYOIQPY-UHFFFAOYSA-N 0 0 522.675 2.510 50 0 KFAARN CCCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000067337491 554531236 /nfs/dbraw/zinc/53/12/36/554531236.db2.gz CVOGRLGRRDSNKB-UHFFFAOYSA-N 0 0 516.712 2.589 50 0 KFAARN CCCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000067337570 554531344 /nfs/dbraw/zinc/53/13/44/554531344.db2.gz SAHHMMMLHQIJEU-UHFFFAOYSA-N 0 0 523.103 2.625 50 0 KFAARN CCCn1cc(C(=O)N2CCN(CCC)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337637 554531497 /nfs/dbraw/zinc/53/14/97/554531497.db2.gz KSIYSLRWVZQKCF-UHFFFAOYSA-N 0 0 523.103 2.625 50 0 KFAARN CCCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337642 554531534 /nfs/dbraw/zinc/53/15/34/554531534.db2.gz UJIVXUVRBFPQGI-UHFFFAOYSA-N 0 0 523.103 2.624 50 0 KFAARN Cn1cc(C(=O)N2CCc3ccccc3C2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337705 554531558 /nfs/dbraw/zinc/53/15/58/554531558.db2.gz JETILKJWSPOYRT-UHFFFAOYSA-N 0 0 500.024 2.783 50 0 KFAARN Cn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337743 554531523 /nfs/dbraw/zinc/53/15/23/554531523.db2.gz QTFWUBHZUWRCPC-UHFFFAOYSA-N 0 0 529.066 2.547 50 0 KFAARN CCCn1cc(C(=O)N2CCN(CCC)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337847 554531571 /nfs/dbraw/zinc/53/15/71/554531571.db2.gz BMNKELFFAIGURS-UHFFFAOYSA-N 0 0 523.103 2.625 50 0 KFAARN CCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000067338040 554531832 /nfs/dbraw/zinc/53/18/32/554531832.db2.gz ZKGCLIRDILFRNL-UHFFFAOYSA-N 0 0 523.103 2.544 50 0 KFAARN CCCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000067338057 554532167 /nfs/dbraw/zinc/53/21/67/554532167.db2.gz IWDGJCHZJSRBRP-UHFFFAOYSA-N 0 0 537.130 2.934 50 0 KFAARN COc1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC ZINC000067338114 554532174 /nfs/dbraw/zinc/53/21/74/554532174.db2.gz DHQVJDSXBTZPGG-UHFFFAOYSA-N 0 0 513.620 2.817 50 0 KFAARN COc1cc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1 ZINC000067338117 554532245 /nfs/dbraw/zinc/53/22/45/554532245.db2.gz GNDQEWLJVILGDG-UHFFFAOYSA-N 0 0 513.620 2.817 50 0 KFAARN Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1C ZINC000067338133 554532231 /nfs/dbraw/zinc/53/22/31/554532231.db2.gz YKZWYYSEACEQQG-UHFFFAOYSA-N 0 0 511.604 2.571 50 0 KFAARN COC(=O)c1cccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000067338144 554532188 /nfs/dbraw/zinc/53/21/88/554532188.db2.gz BSYMKNNOHYJXRZ-UHFFFAOYSA-N 0 0 511.604 2.587 50 0 KFAARN CCOC(=O)c1cccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000067338150 554532141 /nfs/dbraw/zinc/53/21/41/554532141.db2.gz WWWAMTPXZJIHPO-UHFFFAOYSA-N 0 0 525.631 2.977 50 0 KFAARN COC(=O)c1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000067338152 554532225 /nfs/dbraw/zinc/53/22/25/554532225.db2.gz ATTIFSZFXACIAW-UHFFFAOYSA-N 0 0 511.604 2.587 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000067338156 554532137 /nfs/dbraw/zinc/53/21/37/554532137.db2.gz CIOYYGFQAPXJOC-UHFFFAOYSA-N 0 0 525.631 2.977 50 0 KFAARN CCCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000067338411 554532488 /nfs/dbraw/zinc/53/24/88/554532488.db2.gz SJGWSRCSABAGLJ-UHFFFAOYSA-N 0 0 516.712 2.589 50 0 KFAARN CCn1cc(C(=O)NCc2ccccc2OC)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338509 554532483 /nfs/dbraw/zinc/53/24/83/554532483.db2.gz KNEVMSDKNHORGF-UHFFFAOYSA-N 0 0 511.648 2.969 50 0 KFAARN CCn1cc(C(=O)NCc2cccc(OC)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338513 554532544 /nfs/dbraw/zinc/53/25/44/554532544.db2.gz QRQYHLCTMCFQTP-UHFFFAOYSA-N 0 0 511.648 2.969 50 0 KFAARN CCn1cc(C(=O)NCc2ccc(OC)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338517 554532506 /nfs/dbraw/zinc/53/25/06/554532506.db2.gz MFVGLLKCZCJZBS-UHFFFAOYSA-N 0 0 511.648 2.969 50 0 KFAARN CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338527 554532706 /nfs/dbraw/zinc/53/27/06/554532706.db2.gz DRMZEMZORFSKHA-UHFFFAOYSA-N 0 0 525.631 2.689 50 0 KFAARN COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCN(CCO)CC3)c2C1 ZINC000068206778 554538401 /nfs/dbraw/zinc/53/84/01/554538401.db2.gz UJMJIOLCOQYIKU-UHFFFAOYSA-N 0 0 538.048 2.644 50 0 KFAARN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@H]12 ZINC000068581372 553591223 /nfs/dbraw/zinc/59/12/23/553591223.db2.gz KZOLWLNXXNOVAL-DYFKVIDYSA-N 0 0 614.607 2.978 50 0 KFAARN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]12 ZINC000068581376 553591153 /nfs/dbraw/zinc/59/11/53/553591153.db2.gz KZOLWLNXXNOVAL-BNUOZGHMSA-N 0 0 614.607 2.978 50 0 KFAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070664694 553594932 /nfs/dbraw/zinc/59/49/32/553594932.db2.gz JWTWVAVUQMMSIC-IEAFHPEVSA-N 0 0 592.981 2.933 50 0 biogenic KFAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070664698 553595021 /nfs/dbraw/zinc/59/50/21/553595021.db2.gz JWTWVAVUQMMSIC-RKJAVHAZSA-N 0 0 592.981 2.933 50 0 biogenic KFAARN O=C(NCC(O)CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000070664797 553595241 /nfs/dbraw/zinc/59/52/41/553595241.db2.gz ILLKVCOASJNYCE-HEPXYTLMSA-N 0 0 568.586 2.708 50 0 biogenic KFAARN CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(c2)oc(C)c(-c2csc(C)n2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070665809 553597165 /nfs/dbraw/zinc/59/71/65/553597165.db2.gz MPYSQDHQADOJMQ-WZJDRPDSSA-N 0 0 603.602 2.995 50 0 biogenic KFAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(C)c(-c2csc(C)n2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070665811 553597162 /nfs/dbraw/zinc/59/71/62/553597162.db2.gz MPYSQDHQADOJMQ-FSKOWZIRSA-N 0 0 603.602 2.995 50 0 biogenic KFAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(C)c(-c2cscn2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070665835 553597228 /nfs/dbraw/zinc/59/72/28/553597228.db2.gz QLPBVUOEXHYSIY-BYBMWWPSSA-N 0 0 589.575 2.687 50 0 biogenic KFAARN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000070665999 553597699 /nfs/dbraw/zinc/59/76/99/553597699.db2.gz XPIKJJTYHJXRKY-PMOQBDJRSA-N 0 0 636.743 2.761 50 0 biogenic KFAARN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000070666000 553597766 /nfs/dbraw/zinc/59/77/66/553597766.db2.gz XPIKJJTYHJXRKY-VJBMBRPKSA-N 0 0 636.743 2.761 50 0 biogenic KFAARN COc1ccc(CCNC(=O)COc2coc(CN3CCc4cc(OC)c(OC)cc4C3)cc2=O)cc1OC ZINC000070666072 553597951 /nfs/dbraw/zinc/59/79/51/553597951.db2.gz SZNJLZSXOGIOOZ-UHFFFAOYSA-N 0 0 538.597 2.970 50 0 biogenic KFAARN COc1ccccc1N1CCN(C(=O)COc2coc(CN3CCc4cc(OC)c(OC)cc4C3)cc2=O)CC1 ZINC000070666110 553598000 /nfs/dbraw/zinc/59/80/00/553598000.db2.gz CFICHOIUYRGSAY-UHFFFAOYSA-N 0 0 549.624 2.952 50 0 biogenic KFAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)c3ccc4c(c3)N(C)C(=O)CO4)co1)CC2 ZINC000070666620 553598479 /nfs/dbraw/zinc/59/84/79/553598479.db2.gz RRIPOVZXENAFHD-UHFFFAOYSA-N 0 0 520.538 2.832 50 0 biogenic KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669782 553598595 /nfs/dbraw/zinc/59/85/95/553598595.db2.gz NTWGEIYDHYAVDJ-ICYRDHFCSA-N 0 0 570.602 2.517 50 0 biogenic KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669790 553598833 /nfs/dbraw/zinc/59/88/33/553598833.db2.gz HKHWVPSZKLHYNK-MVCRGFCOSA-N 0 0 616.671 2.814 50 0 biogenic KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669791 553598824 /nfs/dbraw/zinc/59/88/24/553598824.db2.gz HKHWVPSZKLHYNK-JBRBIWQXSA-N 0 0 616.671 2.814 50 0 biogenic KFAARN COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000070669809 553598957 /nfs/dbraw/zinc/59/89/57/553598957.db2.gz VTWNVXCBJKJFPN-AFTQUYEPSA-N 0 0 556.619 2.797 50 0 biogenic KFAARN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1 ZINC000070669817 553598795 /nfs/dbraw/zinc/59/87/95/553598795.db2.gz MJVOGIXNGXYBQI-QPPRZBLKSA-N 0 0 540.576 2.508 50 0 biogenic KFAARN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1 ZINC000070669818 553598942 /nfs/dbraw/zinc/59/89/42/553598942.db2.gz MJVOGIXNGXYBQI-PHKGMDLESA-N 0 0 540.576 2.508 50 0 biogenic KFAARN COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000070669826 553598857 /nfs/dbraw/zinc/59/88/57/553598857.db2.gz IXAGSFIVMXXDHV-XASJVRKQSA-N 0 0 556.619 2.797 50 0 biogenic KFAARN COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000070669827 553598884 /nfs/dbraw/zinc/59/88/84/553598884.db2.gz IXAGSFIVMXXDHV-ITOWZWGRSA-N 0 0 556.619 2.797 50 0 biogenic KFAARN O=C(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000070670013 553599786 /nfs/dbraw/zinc/59/97/86/553599786.db2.gz JJFICUPIRKNFIU-PMHJDTQVSA-N 0 0 574.517 2.881 50 0 biogenic KFAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000070670151 553600676 /nfs/dbraw/zinc/60/06/76/553600676.db2.gz GYXQEHNTUUSVMG-CXRHZIOTSA-N 0 0 581.574 2.803 50 0 biogenic KFAARN COc1cccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)cc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)c1 ZINC000070671658 553601084 /nfs/dbraw/zinc/60/10/84/553601084.db2.gz OBMKSNSXQAEZGH-OYKDXHIPSA-N 0 0 586.645 2.805 50 0 biogenic KFAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc(OC)c1OC ZINC000070680604 553604699 /nfs/dbraw/zinc/60/46/99/553604699.db2.gz HUIUCGDPSHQXLF-QDPGVEIFSA-N 0 0 548.640 2.601 50 0 biogenic KFAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc(OC)c1OC ZINC000070680606 553604615 /nfs/dbraw/zinc/60/46/15/553604615.db2.gz HUIUCGDPSHQXLF-LXFBAYGMSA-N 0 0 548.640 2.601 50 0 biogenic KFAARN CC(=O)OC[C@H]1O[C@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070681143 553604943 /nfs/dbraw/zinc/60/49/43/553604943.db2.gz JELIPEDUSHCZAP-LILOYGOGSA-N 0 0 574.579 2.832 50 0 biogenic KFAARN CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(c2)oc(=O)c2c3CCCCC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070686738 553605603 /nfs/dbraw/zinc/60/56/03/553605603.db2.gz GZYJQIYKODJQNJ-CBNWRBMVSA-N 0 0 560.552 2.524 50 0 biogenic KFAARN CC(=O)OC[C@@H]1O[C@@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070686773 553605644 /nfs/dbraw/zinc/60/56/44/553605644.db2.gz MSFMMJSYVUWAEJ-GAYSTUHSSA-N 0 0 580.970 2.787 50 0 KFAARN CCCNC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CC1 ZINC000070687615 553606983 /nfs/dbraw/zinc/60/69/83/553606983.db2.gz RDDCJYNXXOZXFG-TUSQITKMSA-N 0 0 550.766 2.984 50 0 biogenic KFAARN CCCNC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)CC)CC1 ZINC000070687618 553606949 /nfs/dbraw/zinc/60/69/49/553606949.db2.gz RDDCJYNXXOZXFG-ZODMCCGTSA-N 0 0 550.766 2.984 50 0 biogenic KFAARN CCCc1cc(=O)oc2c(C)c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc12 ZINC000070691884 553608637 /nfs/dbraw/zinc/60/86/37/553608637.db2.gz XUZASKXKTDZLAB-BYBMWWPSSA-N 0 0 548.541 2.516 50 0 biogenic KFAARN CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@@H]4[C@H]3OC(=O)[C@@H](CN4CCOCC4)[C@@H]3CC[C@@]5(C)O)[C@@H]21 ZINC000070697693 553612982 /nfs/dbraw/zinc/61/29/82/553612982.db2.gz CBJPQVLGEQCRAI-VEMKZOCKSA-N 0 0 639.786 2.800 50 0 biogenic KFAARN CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)OCc2ccccc2)O1 ZINC000070699243 553615914 /nfs/dbraw/zinc/61/59/14/553615914.db2.gz PGIQKXPBSUHAPP-LSQFXPIMSA-N 0 0 598.649 2.580 50 0 biogenic KFAARN CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)OCc2ccccc2)O1 ZINC000070699259 553615886 /nfs/dbraw/zinc/61/58/86/553615886.db2.gz PGIQKXPBSUHAPP-FCKZEVRNSA-N 0 0 598.649 2.580 50 0 biogenic KFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)N[C@@H](CCSC)C(=O)NC2CCCC2)C(=O)[C@]31C ZINC000070701198 553620811 /nfs/dbraw/zinc/62/08/11/553620811.db2.gz DNKFVPBTBZDZNY-LEOFLALKSA-N 0 0 555.701 2.897 50 0 biogenic KFAARN CCCCCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccccc1 ZINC000070712104 553633096 /nfs/dbraw/zinc/63/30/96/553633096.db2.gz JESOEUQUEIIHTN-YLLXKFEGSA-N 0 0 576.672 2.884 50 0 biogenic KFAARN CCCCCn1c2ccccc2nc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000070712109 553633042 /nfs/dbraw/zinc/63/30/42/553633042.db2.gz JMXRWUUMWFWGPS-JYSSUKAJSA-N 0 0 549.646 2.975 50 0 biogenic KFAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000070712112 553633072 /nfs/dbraw/zinc/63/30/72/553633072.db2.gz IXWQRHYNPGPQKG-CMSSPHMHSA-N 0 0 582.635 2.683 50 0 biogenic KFAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000070712117 553633049 /nfs/dbraw/zinc/63/30/49/553633049.db2.gz STHHVBNURJGKBY-UMGWPWBVSA-N 0 0 596.662 2.991 50 0 biogenic KFAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2cccc(C)c2)n1-c1ccccc1 ZINC000070712130 553633060 /nfs/dbraw/zinc/63/30/60/553633060.db2.gz RMUTZVWIWLMGGQ-VNOXJOTMSA-N 0 0 626.688 2.903 50 0 biogenic KFAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccccc2C)n1-c1ccccc1 ZINC000070712136 553633114 /nfs/dbraw/zinc/63/31/14/553633114.db2.gz OKYFYXJXMVBPKJ-VNOXJOTMSA-N 0 0 626.688 2.903 50 0 biogenic KFAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(-c2ccccc2)n1C1CCCC1 ZINC000070712163 553633401 /nfs/dbraw/zinc/63/34/01/553633401.db2.gz UXKUGZQSJSOUCD-YLLXKFEGSA-N 0 0 574.656 2.808 50 0 biogenic KFAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(C)cc2)n1-c1ccccc1 ZINC000070712216 553633437 /nfs/dbraw/zinc/63/34/37/553633437.db2.gz BAOWBHPLHKZFJM-VNOXJOTMSA-N 0 0 626.688 2.903 50 0 biogenic KFAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nc2ccccc2n1CCOc1ccccc1 ZINC000070712296 553634092 /nfs/dbraw/zinc/63/40/92/553634092.db2.gz JTNYANXZRVQOMD-FXGKLIOSSA-N 0 0 599.662 2.864 50 0 biogenic KFAARN COC(=O)c1sccc1NC(=O)C[C@@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)[O-] ZINC000071279573 553634676 /nfs/dbraw/zinc/63/46/76/553634676.db2.gz ODMQLHYRPADKLS-ZDUSSCGKSA-N 0 0 500.499 2.800 50 0 KFAARN COC(=O)c1sccc1NC(=O)C[C@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)[O-] ZINC000071279574 553634580 /nfs/dbraw/zinc/63/45/80/553634580.db2.gz ODMQLHYRPADKLS-CYBMUJFWSA-N 0 0 500.499 2.800 50 0 KFAARN CCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4Br)c(=O)c3s2)C1 ZINC000071326295 553634968 /nfs/dbraw/zinc/63/49/68/553634968.db2.gz JKSQEUBBINLHCG-CYBMUJFWSA-N 0 0 519.425 2.607 50 0 KFAARN CCNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4Br)c(=O)c3s2)C1 ZINC000071326296 553635018 /nfs/dbraw/zinc/63/50/18/553635018.db2.gz JKSQEUBBINLHCG-ZDUSSCGKSA-N 0 0 519.425 2.607 50 0 KFAARN COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1N ZINC000071771951 553636888 /nfs/dbraw/zinc/63/68/88/553636888.db2.gz HORAHECQALTWRQ-UHFFFAOYSA-N 0 0 517.995 2.605 50 0 KFAARN COc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)c(OC)c1 ZINC000071772538 553636801 /nfs/dbraw/zinc/63/68/01/553636801.db2.gz GUCXSPSPYWVEBZ-MRXNPFEDSA-N 0 0 500.577 2.616 50 0 KFAARN COc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)c(OC)c1 ZINC000071772541 553636725 /nfs/dbraw/zinc/63/67/25/553636725.db2.gz GUCXSPSPYWVEBZ-INIZCTEOSA-N 0 0 500.577 2.616 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)cc1 ZINC000071772564 553636844 /nfs/dbraw/zinc/63/68/44/553636844.db2.gz HMAAMJMZBLGHPG-KRWDZBQOSA-N 0 0 512.588 2.775 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)cc1 ZINC000071772566 553636764 /nfs/dbraw/zinc/63/67/64/553636764.db2.gz HMAAMJMZBLGHPG-QGZVFWFLSA-N 0 0 512.588 2.775 50 0 KFAARN COc1ccc(O[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@H](O)[C@H]2N2C(=O)c3ccccc3C2=O)cc1 ZINC000072099442 571360864 /nfs/dbraw/zinc/36/08/64/571360864.db2.gz SHSWKRFHEJOKLK-ZKVDKWSRSA-N 0 0 503.507 2.939 50 0 KFAARN COc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OCc3ccccc3)[C@H]2OC(C)=O)cc1 ZINC000072099459 571360899 /nfs/dbraw/zinc/36/08/99/571360899.db2.gz MDZXNXKMNWQSDZ-WSGIOKLISA-N 0 0 502.516 2.811 50 0 KFAARN CCN(C(=O)COC(=O)C=Cc1c(C)nn(-c2ccccc2)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000072104269 553640258 /nfs/dbraw/zinc/64/02/58/553640258.db2.gz BBGGHJCVHPSHNQ-FOCLMDBBSA-N 0 0 542.596 2.579 50 0 KFAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000072104814 553640347 /nfs/dbraw/zinc/64/03/47/553640347.db2.gz IOURROLIBNMLJF-UHFFFAOYSA-N 0 0 544.811 2.688 50 0 KFAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000072122045 553640601 /nfs/dbraw/zinc/64/06/01/553640601.db2.gz SRAYLEKFNMBIIU-UHFFFAOYSA-N 0 0 550.703 2.509 50 0 KFAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000072134100 553643930 /nfs/dbraw/zinc/64/39/30/553643930.db2.gz FPNRVMRHYUNNTL-UHFFFAOYSA-N 0 0 537.660 2.532 50 0 KFAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000072135748 553644274 /nfs/dbraw/zinc/64/42/74/553644274.db2.gz QVQCCWIZQIYCCR-UHFFFAOYSA-N 0 0 532.543 2.727 50 0 KFAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000072135870 553644366 /nfs/dbraw/zinc/64/43/66/553644366.db2.gz WRVONLQYVPRAFK-UHFFFAOYSA-N 0 0 543.564 2.553 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000072136073 553644346 /nfs/dbraw/zinc/64/43/46/553644346.db2.gz SHQWGIWGQGZRLS-UHFFFAOYSA-N 0 0 575.665 2.802 50 0 KFAARN CCN(C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000072136517 553644398 /nfs/dbraw/zinc/64/43/98/553644398.db2.gz VYNXVQXSNBFUPP-UHFFFAOYSA-N 0 0 526.764 2.732 50 0 KFAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c(=O)[nH]c1=O ZINC000072136706 553644400 /nfs/dbraw/zinc/64/44/00/553644400.db2.gz KNUBAJUDWPDTTH-UHFFFAOYSA-N 0 0 539.976 2.666 50 0 KFAARN Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(C)(C)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000072138385 553644617 /nfs/dbraw/zinc/64/46/17/553644617.db2.gz KBSHAAVIGUSLLG-UHFFFAOYSA-N 0 0 576.119 2.804 50 0 KFAARN CC[C@@H](C)n1c(SCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nc2ccccc2c1=O ZINC000072139338 553644613 /nfs/dbraw/zinc/64/46/13/553644613.db2.gz SDQKKKKIVXEZCR-QGZVFWFLSA-N 0 0 534.642 2.993 50 0 KFAARN CC[C@H](C)n1c(SCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nc2ccccc2c1=O ZINC000072139339 553644580 /nfs/dbraw/zinc/64/45/80/553644580.db2.gz SDQKKKKIVXEZCR-KRWDZBQOSA-N 0 0 534.642 2.993 50 0 KFAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)COc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000072139437 553644917 /nfs/dbraw/zinc/64/49/17/553644917.db2.gz MMUACQFYPOPSBV-MRXNPFEDSA-N 0 0 530.521 2.984 50 0 KFAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)COc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000072139438 553644905 /nfs/dbraw/zinc/64/49/05/553644905.db2.gz MMUACQFYPOPSBV-INIZCTEOSA-N 0 0 530.521 2.984 50 0 KFAARN O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)Nc1cccc(C(F)(F)F)c1 ZINC000072139463 553644920 /nfs/dbraw/zinc/64/49/20/553644920.db2.gz MISFJNASPHFMDH-UHFFFAOYSA-N 0 0 528.553 2.614 50 0 KFAARN COCCN(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000072139682 553644864 /nfs/dbraw/zinc/64/48/64/553644864.db2.gz RWIYCFOEGDDNJT-UHFFFAOYSA-N 0 0 528.565 2.671 50 0 KFAARN COCCN(C(=O)COC(=O)C=Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000072139863 553644858 /nfs/dbraw/zinc/64/48/58/553644858.db2.gz SHFYAJACXNPIOQ-CSKARUKUSA-N 0 0 547.395 2.710 50 0 KFAARN O=C(c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000072142223 553645332 /nfs/dbraw/zinc/64/53/32/553645332.db2.gz RVYYDXZOXYEHBO-UHFFFAOYSA-N 0 0 574.537 2.923 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccc(Br)cc3)CC2)c(C)c1 ZINC000072142406 553645356 /nfs/dbraw/zinc/64/53/56/553645356.db2.gz JHBUYCJVKMDNLQ-UHFFFAOYSA-N 0 0 525.421 2.521 50 0 KFAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC1)C2=O ZINC000072142514 553645365 /nfs/dbraw/zinc/64/53/65/553645365.db2.gz HTXHOZHKIXJHGP-CMJOXMDJSA-N 0 0 545.489 2.963 50 0 KFAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC1)C2=O ZINC000072142515 553645303 /nfs/dbraw/zinc/64/53/03/553645303.db2.gz HTXHOZHKIXJHGP-WNSKOXEYSA-N 0 0 545.489 2.963 50 0 KFAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC1)C2=O ZINC000072142517 553645263 /nfs/dbraw/zinc/64/52/63/553645263.db2.gz HTXHOZHKIXJHGP-IQMFZBJNSA-N 0 0 545.489 2.963 50 0 KFAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC1)C2=O ZINC000072142518 553645198 /nfs/dbraw/zinc/64/51/98/553645198.db2.gz HTXHOZHKIXJHGP-NPMXOYFQSA-N 0 0 545.489 2.963 50 0 KFAARN Cc1ccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccc6c(c5)OCO6)no4)CCC3=O)CC2)c(C)c1 ZINC000072329736 553649069 /nfs/dbraw/zinc/64/90/69/553649069.db2.gz FHFMWEYNMZFETR-UHFFFAOYSA-N 0 0 516.558 2.757 50 0 KFAARN Cc1ccc(C)c(N2CCN(C(=O)CN3N=C(c4nc(-c5ccc6c(c5)OCO6)no4)CCC3=O)CC2)c1 ZINC000072329737 553649065 /nfs/dbraw/zinc/64/90/65/553649065.db2.gz YJGZSLGWDXSLAN-UHFFFAOYSA-N 0 0 516.558 2.757 50 0 KFAARN O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2ccccc2Cl)CC1 ZINC000072329743 553649022 /nfs/dbraw/zinc/64/90/22/553649022.db2.gz GLQRJRZDRMERDZ-UHFFFAOYSA-N 0 0 522.949 2.794 50 0 KFAARN O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000072329744 553649033 /nfs/dbraw/zinc/64/90/33/553649033.db2.gz NNCCMPDIRCIZTD-UHFFFAOYSA-N 0 0 522.949 2.794 50 0 KFAARN O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000072329745 553649056 /nfs/dbraw/zinc/64/90/56/553649056.db2.gz JOCDSDIHBJFRGW-UHFFFAOYSA-N 0 0 522.949 2.794 50 0 KFAARN COc1ccccc1N1CCN(C(=O)COC(=O)COc2ccc(I)cc2)CC1 ZINC000072330985 553649347 /nfs/dbraw/zinc/64/93/47/553649347.db2.gz SGCRJGKTVUROTN-UHFFFAOYSA-N 0 0 510.328 2.571 50 0 KFAARN COc1cc(NC(=O)COC(=O)COc2ccc(I)cc2)cc(OC)c1OC ZINC000072331027 553649351 /nfs/dbraw/zinc/64/93/51/553649351.db2.gz WONMBDDFPRTIMG-UHFFFAOYSA-N 0 0 501.273 2.878 50 0 KFAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)NCc1ccccc1Cl ZINC000072331997 553649439 /nfs/dbraw/zinc/64/94/39/553649439.db2.gz IJQSGLNVPXSPBD-UHFFFAOYSA-N 0 0 508.962 2.938 50 0 KFAARN O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCCc3ccccc32)c1=O)NC1CCCC1 ZINC000072331998 553649434 /nfs/dbraw/zinc/64/94/34/553649434.db2.gz WYRFBGXTHXKACL-UHFFFAOYSA-N 0 0 500.555 2.948 50 0 KFAARN COc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)c(OC)c1 ZINC000072332004 553649372 /nfs/dbraw/zinc/64/93/72/553649372.db2.gz WXLLTGATVMIJDU-UHFFFAOYSA-N 0 0 520.542 2.624 50 0 KFAARN COc1cc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc(OC)c1 ZINC000072332042 553649634 /nfs/dbraw/zinc/64/96/34/553649634.db2.gz MQKVTOWTOCHABP-UHFFFAOYSA-N 0 0 520.542 2.624 50 0 KFAARN COc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1OC ZINC000072332047 553649609 /nfs/dbraw/zinc/64/96/09/553649609.db2.gz YPPGCASSAZDNBQ-UHFFFAOYSA-N 0 0 520.542 2.624 50 0 KFAARN CC(=O)c1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)c1 ZINC000072332053 553649606 /nfs/dbraw/zinc/64/96/06/553649606.db2.gz FWJWMLMIPJVKNU-UHFFFAOYSA-N 0 0 502.527 2.810 50 0 KFAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)NCCc1ccc(Cl)cc1 ZINC000072332055 553649681 /nfs/dbraw/zinc/64/96/81/553649681.db2.gz ISLWBFBVGUQSNM-UHFFFAOYSA-N 0 0 522.989 2.981 50 0 KFAARN Cc1ccc2c(c1)N(C(=O)Cn1c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c1=O)CCO2 ZINC000072332056 553649655 /nfs/dbraw/zinc/64/96/55/553649655.db2.gz ASWZNALTNHATNB-UHFFFAOYSA-N 0 0 516.554 2.702 50 0 KFAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)NCCCc1ccccc1 ZINC000072332057 553649643 /nfs/dbraw/zinc/64/96/43/553649643.db2.gz SDUSSUIHITUQAW-UHFFFAOYSA-N 0 0 502.571 2.717 50 0 KFAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)NCc1ccc(Cl)cc1 ZINC000072332060 553649605 /nfs/dbraw/zinc/64/96/05/553649605.db2.gz XHJFYXLBFJHYHB-UHFFFAOYSA-N 0 0 508.962 2.938 50 0 KFAARN CC(=O)c1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000072332062 553649651 /nfs/dbraw/zinc/64/96/51/553649651.db2.gz DHBMWWSGVAPMIJ-UHFFFAOYSA-N 0 0 502.527 2.810 50 0 KFAARN COc1ccc(C)cc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072332071 553649617 /nfs/dbraw/zinc/64/96/17/553649617.db2.gz HOQIJZUQFZWYQY-UHFFFAOYSA-N 0 0 504.543 2.924 50 0 KFAARN CC(=O)Nc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000072332077 553649659 /nfs/dbraw/zinc/64/96/59/553649659.db2.gz KWCXTKAOAKBFQN-UHFFFAOYSA-N 0 0 517.542 2.565 50 0 KFAARN O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O)NC1CCCC1 ZINC000072332083 553650078 /nfs/dbraw/zinc/65/00/78/553650078.db2.gz OXTPLYGCLJXWPU-NRFANRHFSA-N 0 0 500.555 2.772 50 0 KFAARN O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O)NC1CCCC1 ZINC000072332084 553650024 /nfs/dbraw/zinc/65/00/24/553650024.db2.gz OXTPLYGCLJXWPU-OAQYLSRUSA-N 0 0 500.555 2.772 50 0 KFAARN CC(=O)OC[C@@H]1O[C@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000072332858 553650361 /nfs/dbraw/zinc/65/03/61/553650361.db2.gz MSFMMJSYVUWAEJ-DKLFHUDLSA-N 0 0 580.970 2.787 50 0 KFAARN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(NCCc2ccc(CCC(=O)OC(C)(C)C)cc2)nc3N)[C@@H]2OC(C)(C)O[C@@H]21 ZINC000077285047 553657882 /nfs/dbraw/zinc/65/78/82/553657882.db2.gz HTABKEQHHQHYFD-QSGNWFJVSA-N 0 0 595.701 2.891 50 0 in-vitro KFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000079183214 553666068 /nfs/dbraw/zinc/66/60/68/553666068.db2.gz UPNIGDZLQHZHSN-BYXVTNLJSA-N 0 0 670.760 2.958 50 0 biogenic KFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000079183216 553666116 /nfs/dbraw/zinc/66/61/16/553666116.db2.gz UPNIGDZLQHZHSN-MZBJOSPHSA-N 0 0 670.760 2.958 50 0 biogenic KFAARN COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 ZINC000079204450 553669855 /nfs/dbraw/zinc/66/98/55/553669855.db2.gz XHCIZLWHEPIQDR-GEBXWWPGSA-N 0 0 656.593 2.856 50 0 biogenic KFAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O ZINC000079204555 553669817 /nfs/dbraw/zinc/66/98/17/553669817.db2.gz QDJSDLWLSPZZTC-BZTKZSPSSA-N 0 0 653.637 2.965 50 0 biogenic KFAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCO4)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079210040 553670185 /nfs/dbraw/zinc/67/01/85/553670185.db2.gz MJRFCSQUAHKKFK-OVFXHNNVSA-N 0 0 626.567 2.693 50 0 biogenic KFAARN O=C(OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000079418568 553672439 /nfs/dbraw/zinc/67/24/39/553672439.db2.gz JJFICUPIRKNFIU-IGRGDXOOSA-N 0 0 574.517 2.881 50 0 biogenic KFAARN O=C(OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000079418573 553672489 /nfs/dbraw/zinc/67/24/89/553672489.db2.gz JJFICUPIRKNFIU-SRNFOCHHSA-N 0 0 574.517 2.881 50 0 biogenic KFAARN O=C(OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000079418578 553672387 /nfs/dbraw/zinc/67/23/87/553672387.db2.gz JJFICUPIRKNFIU-WSKLTFMVSA-N 0 0 574.517 2.881 50 0 biogenic KFAARN CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C ZINC000083253953 553676342 /nfs/dbraw/zinc/67/63/42/553676342.db2.gz RPKGEWXJAQIRCK-UHFFFAOYSA-N 0 0 538.675 2.566 50 0 KFAARN COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC ZINC000084638100 553677653 /nfs/dbraw/zinc/67/76/53/553677653.db2.gz CGWOIDCAGBKOQL-FQEVSTJZSA-N 0 0 522.606 2.971 50 0 in-vivo KFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)CC1 ZINC000085641394 553685415 /nfs/dbraw/zinc/68/54/15/553685415.db2.gz VDGSWSOWQVYLCZ-UHFFFAOYSA-N 0 0 505.618 2.795 50 0 KFAARN O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)CC1 ZINC000085641458 553685418 /nfs/dbraw/zinc/68/54/18/553685418.db2.gz MPCZAPFSBFIKRK-UHFFFAOYSA-N 0 0 512.053 2.591 50 0 KFAARN O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)CC1 ZINC000085641462 553685459 /nfs/dbraw/zinc/68/54/59/553685459.db2.gz AIUDXQPULVZFAV-UHFFFAOYSA-N 0 0 512.053 2.591 50 0 KFAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)CC1 ZINC000085641581 553685631 /nfs/dbraw/zinc/68/56/31/553685631.db2.gz QQBUNVRRPBNHCS-UHFFFAOYSA-N 0 0 507.634 2.577 50 0 KFAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2nc3cc(C)ccc3[nH]2)CC1 ZINC000085720794 553686575 /nfs/dbraw/zinc/68/65/75/553686575.db2.gz GBQBFZTUWNQDGC-UHFFFAOYSA-N 0 0 515.636 2.720 50 0 KFAARN CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 ZINC000085866771 553687170 /nfs/dbraw/zinc/68/71/70/553687170.db2.gz SFBDPQSPXMSRAI-YAOHRGSISA-N 0 0 647.611 2.555 50 0 biogenic KFAARN CC(=O)Cc1cc(O[C@@H]2O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c12 ZINC000085867177 553687679 /nfs/dbraw/zinc/68/76/79/553687679.db2.gz JHUNHTOHTUZTKV-UILHBZEUSA-N 0 0 740.667 2.904 50 0 biogenic KFAARN CC(=O)Cc1cc(O[C@@H]2O[C@@H]([C@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c12 ZINC000085867183 553687700 /nfs/dbraw/zinc/68/77/00/553687700.db2.gz JHUNHTOHTUZTKV-QWENMDFYSA-N 0 0 740.667 2.904 50 0 biogenic KFAARN CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)c(OC(C)=O)c4)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000085888760 553690324 /nfs/dbraw/zinc/69/03/24/553690324.db2.gz JDAPIOVVXOAJOM-VSSHJLDSSA-N 0 0 742.639 2.698 50 0 biogenic KFAARN CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(c2)occ(-c2ccc(OC(C)=O)c(OC(C)=O)c2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000085893629 553690619 /nfs/dbraw/zinc/69/06/19/553690619.db2.gz WSMQBJMPWPNLTJ-MCEIUOFSSA-N 0 0 742.639 2.698 50 0 biogenic KFAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(OC(C)=O)cc(OC(C)=O)c4c3=O)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000085893711 553690633 /nfs/dbraw/zinc/69/06/33/553690633.db2.gz QINULWUIRTUVTD-IJXSEIHBSA-N 0 0 684.603 2.773 50 0 biogenic KFAARN CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]2(O)[C@@H]2CC[C@]3(O)C[C@@H](O[C@@H]4O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)CC[C@]3(C)[C@@H]12 ZINC000085902215 553691133 /nfs/dbraw/zinc/69/11/33/553691133.db2.gz DLOMXAWRMLVFKA-YGJODVDNSA-N 0 0 720.809 2.825 50 0 biogenic KFAARN CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]2(O)[C@@H]2CC[C@]3(O)C[C@@H](O[C@H]4O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)CC[C@]3(C)[C@@H]12 ZINC000085902218 553691110 /nfs/dbraw/zinc/69/11/10/553691110.db2.gz DLOMXAWRMLVFKA-QLEXYYOMSA-N 0 0 720.809 2.825 50 0 biogenic KFAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCC2 ZINC000090421196 553694762 /nfs/dbraw/zinc/69/47/62/553694762.db2.gz AABIEEPKHDYPTM-UHFFFAOYSA-N 0 0 510.634 2.949 50 0 KFAARN O=C(NCCCN1CCOCC1)Nc1ccc(Cc2ccc(NC(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000090430367 553694804 /nfs/dbraw/zinc/69/48/04/553694804.db2.gz GTEBFXZMIYVNME-UHFFFAOYSA-N 0 0 538.693 2.965 50 0 KFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CC(=O)NC2CCCCC2)C1=O ZINC000095476327 553701687 /nfs/dbraw/zinc/70/16/87/553701687.db2.gz HDPFNKCYMHNYOD-HHHXNRCGSA-N 0 0 525.573 2.920 50 0 KFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(CC(=O)NC2CCCCC2)C1=O ZINC000095476328 553701864 /nfs/dbraw/zinc/70/18/64/553701864.db2.gz HDPFNKCYMHNYOD-MHZLTWQESA-N 0 0 525.573 2.920 50 0 KFAARN O=C1C[C@@H](N2CCN([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000095496407 553702426 /nfs/dbraw/zinc/70/24/26/553702426.db2.gz UFEOGUHWCDEDAQ-BGYRXZFFSA-N 0 0 501.370 2.575 50 0 KFAARN O=C1C[C@H](N2CCN([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000095496408 553702506 /nfs/dbraw/zinc/70/25/06/553702506.db2.gz UFEOGUHWCDEDAQ-PMACEKPBSA-N 0 0 501.370 2.575 50 0 KFAARN CCCCNc1sc(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)c(N)c1C(=O)N1CCOCC1 ZINC000095536754 553702798 /nfs/dbraw/zinc/70/27/98/553702798.db2.gz MFPFENXUYSJMDR-SFHVURJKSA-N 0 0 506.650 2.557 50 0 KFAARN COCCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000095567231 553704619 /nfs/dbraw/zinc/70/46/19/553704619.db2.gz RKAMINLREKOJNB-UHFFFAOYSA-N 0 0 539.976 2.522 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000095567791 553704623 /nfs/dbraw/zinc/70/46/23/553704623.db2.gz YTUHNNRCUNSYIW-CLYVBNDRSA-N 0 0 562.689 2.788 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000095567792 553704618 /nfs/dbraw/zinc/70/46/18/553704618.db2.gz YTUHNNRCUNSYIW-MYUZEXMDSA-N 0 0 562.689 2.788 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000095567793 553704642 /nfs/dbraw/zinc/70/46/42/553704642.db2.gz YTUHNNRCUNSYIW-XRHLQHRESA-N 0 0 562.689 2.788 50 0 KFAARN COc1cc(CCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc(OC)c1OC ZINC000095568150 553704620 /nfs/dbraw/zinc/70/46/20/553704620.db2.gz HTQIELOGNQEJPG-UHFFFAOYSA-N 0 0 557.021 2.501 50 0 KFAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000095569432 553704786 /nfs/dbraw/zinc/70/47/86/553704786.db2.gz BIVXTWBQZMRHML-UHFFFAOYSA-N 0 0 545.639 2.794 50 0 KFAARN COc1ccc(CN(C)C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1OC ZINC000095570840 553705090 /nfs/dbraw/zinc/70/50/90/553705090.db2.gz VGWIBJPJBQWBAZ-GOSISDBHSA-N 0 0 540.660 2.542 50 0 KFAARN COc1ccc(CN(C)C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1OC ZINC000095570841 553705071 /nfs/dbraw/zinc/70/50/71/553705071.db2.gz VGWIBJPJBQWBAZ-SFHVURJKSA-N 0 0 540.660 2.542 50 0 KFAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000095604028 553705579 /nfs/dbraw/zinc/70/55/79/553705579.db2.gz DZMUAEQPSMMWRA-UHFFFAOYSA-N 0 0 531.631 2.759 50 0 KFAARN CCCOc1ccc(C(=O)CCC(=O)OCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000095604835 553705544 /nfs/dbraw/zinc/70/55/44/553705544.db2.gz KCPVLBCQKTUHOD-UHFFFAOYSA-N 0 0 536.585 2.515 50 0 KFAARN COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095628281 553706376 /nfs/dbraw/zinc/70/63/76/553706376.db2.gz NRUKOCRGYNPUPR-RSQUYFRMSA-N 0 0 656.662 2.753 50 0 in-man KFAARN COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095628282 553706385 /nfs/dbraw/zinc/70/63/85/553706385.db2.gz NRUKOCRGYNPUPR-ONRZSPQPSA-N 0 0 656.662 2.753 50 0 in-man KFAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CN2CN(C1)CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2 ZINC000095719302 553709832 /nfs/dbraw/zinc/70/98/32/553709832.db2.gz ZTUFIZFGEWLMEH-UHFFFAOYSA-N 0 0 544.499 2.825 50 0 KFAARN COc1cc(OC)cc(C(C)(C)OC(=O)N[C@@H](CCCNC(=[NH2+])NS(=O)(=O)c2ccc(C)cc2)C(=O)[O-])c1 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COc1ccc(C(=O)N2CCN(C[C@H]3CN(C(=S)Nc4ccc(F)cc4)CCO3)CC2)c(OC)c1 ZINC000096497198 553754844 /nfs/dbraw/zinc/75/48/44/553754844.db2.gz OGIMONALNJEKDZ-NRFANRHFSA-N 0 0 502.612 2.699 50 0 KFAARN O=C1C[C@@H](N2CCN([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000096561993 553755471 /nfs/dbraw/zinc/75/54/71/553755471.db2.gz UNKUQGPJSAFXHQ-BGYRXZFFSA-N 0 0 501.370 2.575 50 0 KFAARN O=C1C[C@H](N2CCN([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000096561994 553755543 /nfs/dbraw/zinc/75/55/43/553755543.db2.gz UNKUQGPJSAFXHQ-PMACEKPBSA-N 0 0 501.370 2.575 50 0 KFAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000096602712 553756982 /nfs/dbraw/zinc/75/69/82/553756982.db2.gz UBFBSQQEIKGOJF-GOSISDBHSA-N 0 0 512.813 2.741 50 0 KFAARN COc1cccc(CN[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](NCc5cccc(OC)c5OC)C4=O)cc3)C2=O)c1OC ZINC000096913802 553757815 /nfs/dbraw/zinc/75/78/15/553757815.db2.gz NQKQKFIAUROWOV-ZEQRLZLVSA-N 0 0 602.644 2.564 50 0 KFAARN COc1ccc(-n2nnnc2SCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)cc1 ZINC000097656631 1059752342 /nfs/dbraw/zinc/75/23/42/1059752342.db2.gz UYWHMVKIZLXOGU-LDADJPATSA-N 0 0 514.564 2.755 50 0 KFAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C\c1ccccc1 ZINC000097657602 553759193 /nfs/dbraw/zinc/75/91/93/553759193.db2.gz ARKDCMITHCDUHI-RAXLEYEMSA-N 0 0 501.605 2.749 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C\c3ccc(Br)o3)CC2)c(C)c1 ZINC000097657710 1059752277 /nfs/dbraw/zinc/75/22/77/1059752277.db2.gz JZPJKRKRJYPYRU-YVMONPNESA-N 0 0 511.394 2.748 50 0 KFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)c1C ZINC000097658068 1059752302 /nfs/dbraw/zinc/75/23/02/1059752302.db2.gz XILWWXVZJWGCTA-IDTUSYRASA-N 0 0 511.984 2.765 50 0 KFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)c1C ZINC000097658073 1059752370 /nfs/dbraw/zinc/75/23/70/1059752370.db2.gz XILWWXVZJWGCTA-XHPSBEMXSA-N 0 0 511.984 2.765 50 0 KFAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C\c1ccc(C)o1 ZINC000097658326 553759147 /nfs/dbraw/zinc/75/91/47/553759147.db2.gz CFLMRVPYPLIFMM-FLIBITNWSA-N 0 0 505.593 2.650 50 0 KFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C\c1ccc(OC(F)F)cc1 ZINC000097658369 553759111 /nfs/dbraw/zinc/75/91/11/553759111.db2.gz FILFMBXFJZTUDV-UITAMQMPSA-N 0 0 510.515 2.812 50 0 KFAARN CC(C)CN(C(=O)CN(C)C(=O)C=Cc1ccc(C(F)(F)F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000097675868 1059752320 /nfs/dbraw/zinc/75/23/20/1059752320.db2.gz LLVKQWAYIJGHSG-FLIBITNWSA-N 0 0 523.556 2.954 50 0 KFAARN CC(C)CN(C(=O)CN(C)C(=O)C=Cc1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000097675871 1059752234 /nfs/dbraw/zinc/75/22/34/1059752234.db2.gz OIILIJYCRWKAGP-KTKRTIGZSA-N 0 0 523.556 2.954 50 0 KFAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)C2=O)cc1 ZINC000097675933 553759217 /nfs/dbraw/zinc/75/92/17/553759217.db2.gz ZMFASNCGKVEYMK-RCCKNPSSSA-N 0 0 515.613 2.946 50 0 KFAARN 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NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000097957491 553846315 /nfs/dbraw/zinc/84/63/15/553846315.db2.gz HFHPVDJAGHOZOS-UHFFFAOYSA-N 0 0 540.667 2.679 50 0 KFAARN Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(CCSc3nnnn3-c3ccccc3)c2c(=O)[nH]c1=O ZINC000097957497 553846358 /nfs/dbraw/zinc/84/63/58/553846358.db2.gz LCSSXWGRQGEBHB-UHFFFAOYSA-N 0 0 543.657 2.650 50 0 KFAARN Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(CCSc3nnnn3-c3ccccc3)c2c(=O)n(C)c1=O ZINC000097957502 553846379 /nfs/dbraw/zinc/84/63/79/553846379.db2.gz WZGFRSRCAKLPHW-UHFFFAOYSA-N 0 0 557.684 2.661 50 0 KFAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097957544 553846807 /nfs/dbraw/zinc/84/68/07/553846807.db2.gz LGYCVGZCYTWSMV-UHFFFAOYSA-N 0 0 598.659 2.906 50 0 KFAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000097957635 553846979 /nfs/dbraw/zinc/84/69/79/553846979.db2.gz RALMJZOFLWPVDS-MYXKAAJQSA-N 0 0 569.595 2.957 50 0 KFAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000097957636 553847107 /nfs/dbraw/zinc/84/71/07/553847107.db2.gz RALMJZOFLWPVDS-QQYUXEJHSA-N 0 0 569.595 2.957 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097958172 553851786 /nfs/dbraw/zinc/85/17/86/553851786.db2.gz REEALSYYUAZFIG-XOYGFPHKSA-N 0 0 554.621 2.841 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000097958173 553851797 /nfs/dbraw/zinc/85/17/97/553851797.db2.gz REEALSYYUAZFIG-YJADQXIJSA-N 0 0 554.621 2.841 50 0 KFAARN CCOC(=O)COc1c(I)cc(/C=C2\SC(=O)N(CC(=O)OCC)C2=O)cc1OC ZINC000097960401 553871346 /nfs/dbraw/zinc/87/13/46/553871346.db2.gz RFABILFMGPAKHO-ZSOIEALJSA-N 0 0 549.339 2.841 50 0 KFAARN Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)s1 ZINC000097961380 553877411 /nfs/dbraw/zinc/87/74/11/553877411.db2.gz CPMURZCXMJELHT-UHFFFAOYSA-N 0 0 539.690 2.856 50 0 KFAARN CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000097961656 553879728 /nfs/dbraw/zinc/87/97/28/553879728.db2.gz KAZPQSIYVLNPTA-UHFFFAOYSA-N 0 0 541.577 2.959 50 0 KFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)cc1 ZINC000097961696 553879956 /nfs/dbraw/zinc/87/99/56/553879956.db2.gz OJBDTFZYGNLHKF-UHFFFAOYSA-N 0 0 549.656 2.948 50 0 KFAARN CC(C)c1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)s1 ZINC000097961699 553880338 /nfs/dbraw/zinc/88/03/38/553880338.db2.gz RMUUEHHBGVXFBI-UHFFFAOYSA-N 0 0 569.716 2.517 50 0 KFAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1)N1CCCc2ccccc21 ZINC000097961701 553880329 /nfs/dbraw/zinc/88/03/29/553880329.db2.gz KEPDBEMLTOYZRB-UHFFFAOYSA-N 0 0 559.695 2.883 50 0 KFAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000097962751 553885431 /nfs/dbraw/zinc/88/54/31/553885431.db2.gz WUYXXWYJGDCKBC-ITIZVALFSA-N 0 0 552.605 2.749 50 0 KFAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000097962752 553885384 /nfs/dbraw/zinc/88/53/84/553885384.db2.gz WUYXXWYJGDCKBC-YXDQGSNCSA-N 0 0 552.605 2.749 50 0 KFAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CCN(C)C2 ZINC000097963375 553889337 /nfs/dbraw/zinc/88/93/37/553889337.db2.gz PZDNVRGXZYQRAG-UHFFFAOYSA-N 0 0 564.686 2.628 50 0 KFAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CCN(CC)C4)cc2)CC1 ZINC000097963395 553889748 /nfs/dbraw/zinc/88/97/48/553889748.db2.gz GKAZSJFOFJDTPW-UHFFFAOYSA-N 0 0 564.686 2.628 50 0 KFAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CCN(C(C)=O)C2 ZINC000097963508 553891107 /nfs/dbraw/zinc/89/11/07/553891107.db2.gz CRJWEIMSMBFMEU-UHFFFAOYSA-N 0 0 592.696 2.545 50 0 KFAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)c2C(=O)OC)C1 ZINC000097963532 553891425 /nfs/dbraw/zinc/89/14/25/553891425.db2.gz AREJAVCXLFNSEV-UHFFFAOYSA-N 0 0 583.685 2.585 50 0 KFAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000097963554 553891713 /nfs/dbraw/zinc/89/17/13/553891713.db2.gz IVTKGEZHMZQTJR-UHFFFAOYSA-N 0 0 551.643 2.713 50 0 KFAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000097963557 553891719 /nfs/dbraw/zinc/89/17/19/553891719.db2.gz KUQNTMUXOHLMHX-UHFFFAOYSA-N 0 0 597.712 2.975 50 0 KFAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(=O)N2CCOCC2)C1 ZINC000097963570 553891801 /nfs/dbraw/zinc/89/18/01/553891801.db2.gz XRLOSGQCFLNIIP-UHFFFAOYSA-N 0 0 576.697 2.772 50 0 KFAARN COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)o2)cc(OC)c1OC ZINC000097963815 553894584 /nfs/dbraw/zinc/89/45/84/553894584.db2.gz ZGSPGHPFNYDOJC-GASCZTMLSA-N 0 0 532.575 2.813 50 0 KFAARN COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)o2)cc(OC)c1OC ZINC000097963816 553894572 /nfs/dbraw/zinc/89/45/72/553894572.db2.gz ZGSPGHPFNYDOJC-GJZGRUSLSA-N 0 0 532.575 2.813 50 0 KFAARN 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0 KFAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O ZINC000097966434 553908631 /nfs/dbraw/zinc/90/86/31/553908631.db2.gz DFLXHZZXQJTETI-ITIZVALFSA-N 0 0 552.605 2.749 50 0 KFAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O ZINC000097966435 553909003 /nfs/dbraw/zinc/90/90/03/553909003.db2.gz DFLXHZZXQJTETI-YXDQGSNCSA-N 0 0 552.605 2.749 50 0 KFAARN Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000097967024 553913140 /nfs/dbraw/zinc/91/31/40/553913140.db2.gz YLOUQDZQNSMSCP-UHFFFAOYSA-N 0 0 552.682 2.932 50 0 KFAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000097967814 1059752606 /nfs/dbraw/zinc/75/26/06/1059752606.db2.gz LOAOKLPCDMXHOV-UHFFFAOYSA-N 0 0 564.595 2.938 50 0 KFAARN O=c1/c(=C/c2ccc(I)o2)sc2n1CN(c1ccc(I)cc1)CN=2 ZINC000097968546 553933178 /nfs/dbraw/zinc/93/31/78/553933178.db2.gz NHWXXXYSNFNYGT-QPEQYQDCSA-N 0 0 563.158 2.596 50 0 KFAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccccc3Cl)sc2=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000097968556 553933453 /nfs/dbraw/zinc/93/34/53/553933453.db2.gz LESYMUNRTNKHTN-XCMFGDQWSA-N 0 0 531.417 2.857 50 0 KFAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccccc3Cl)sc2=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000097968557 553933512 /nfs/dbraw/zinc/93/35/12/553933512.db2.gz LESYMUNRTNKHTN-WQJNHMDYSA-N 0 0 531.417 2.857 50 0 KFAARN COC(=O)C1=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000097968568 553933470 /nfs/dbraw/zinc/93/34/70/553933470.db2.gz UCMAATOLOXTXNW-TZPPZLRXSA-N 0 0 624.712 2.752 50 0 KFAARN COC(=O)C1=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000097968569 553933516 /nfs/dbraw/zinc/93/35/16/553933516.db2.gz UCMAATOLOXTXNW-BZNKKWMXSA-N 0 0 624.712 2.752 50 0 KFAARN CCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)COc2ccc3c(c2)OCO3)c1 ZINC000097971989 553964992 /nfs/dbraw/zinc/96/49/92/553964992.db2.gz OOGXZCFANZSQOS-QUCCMNQESA-N 0 0 530.581 2.968 50 0 biogenic KFAARN Cn1c(N)c(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2ccc(O)cc2)c(=O)n(C)c1=O ZINC000097978988 1059752638 /nfs/dbraw/zinc/75/26/38/1059752638.db2.gz JEKCFWUYELKSRU-SAPNQHFASA-N 0 0 526.549 2.837 50 0 KFAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc(OC)c1OC ZINC000097979312 553978029 /nfs/dbraw/zinc/97/80/29/553978029.db2.gz QAICKRCWVRUASO-QPJJXVBHSA-N 0 0 555.005 2.582 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000097979394 553978817 /nfs/dbraw/zinc/97/88/17/553978817.db2.gz SCPMJYHUEOCPHV-KPKJPENVSA-N 0 0 600.115 2.587 50 0 KFAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000097979395 553978731 /nfs/dbraw/zinc/97/87/31/553978731.db2.gz KSJRKCASLLOXDF-IZZDOVSWSA-N 0 0 612.126 2.731 50 0 KFAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000097979449 553979486 /nfs/dbraw/zinc/97/94/86/553979486.db2.gz VMQOLPGQCNKOEO-CTDFXDFQSA-N 0 0 533.562 2.505 50 0 KFAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000097979450 553979481 /nfs/dbraw/zinc/97/94/81/553979481.db2.gz VMQOLPGQCNKOEO-CFGKVWFZSA-N 0 0 533.562 2.505 50 0 KFAARN CN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000097979451 553979471 /nfs/dbraw/zinc/97/94/71/553979471.db2.gz QHBAJNNYZPEDAR-VDZCTEQFSA-N 0 0 547.589 2.848 50 0 KFAARN CN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000097979452 553979464 /nfs/dbraw/zinc/97/94/64/553979464.db2.gz QHBAJNNYZPEDAR-LEQVUBRHSA-N 0 0 547.589 2.848 50 0 KFAARN COc1ccc(C=C2N=C(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000097979506 553980071 /nfs/dbraw/zinc/98/00/71/553980071.db2.gz HPIUIYKBMDIGRD-DEDYPNTBSA-N 0 0 533.610 2.651 50 0 KFAARN COc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000097979530 553980341 /nfs/dbraw/zinc/98/03/41/553980341.db2.gz UDJKGILYCPTMOX-GHRIWEEISA-N 0 0 556.575 2.758 50 0 KFAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000097979534 553980308 /nfs/dbraw/zinc/98/03/08/553980308.db2.gz JRDGAFBAOMMWIP-OUKQBFOZSA-N 0 0 629.713 2.901 50 0 KFAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)OCC(=O)NCCCN1CCCC1=O ZINC000097979553 553980318 /nfs/dbraw/zinc/98/03/18/553980318.db2.gz UNBKIONBTHDZIM-ZRDIBKRKSA-N 0 0 530.581 2.996 50 0 KFAARN CCN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000097979555 553980571 /nfs/dbraw/zinc/98/05/71/553980571.db2.gz SCEJLGHNSXTNTG-BDTMADQZSA-N 0 0 551.621 2.903 50 0 KFAARN CCN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000097979556 553980621 /nfs/dbraw/zinc/98/06/21/553980621.db2.gz SCEJLGHNSXTNTG-NMXNWIABSA-N 0 0 551.621 2.903 50 0 KFAARN COc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 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KFAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cc(OC)ccc2OC)cc1 ZINC000097985187 554021587 /nfs/dbraw/zinc/02/15/87/554021587.db2.gz OSNKRMONJMNQFY-UHFFFAOYSA-N 0 0 682.781 2.975 50 0 KFAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)N2CCc3ccccc32)c1 ZINC000097985190 554021618 /nfs/dbraw/zinc/02/16/18/554021618.db2.gz MSIPNMMGBDKGAL-UHFFFAOYSA-N 0 0 678.793 2.917 50 0 KFAARN CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1OC ZINC000097985947 554023456 /nfs/dbraw/zinc/02/34/56/554023456.db2.gz PYKTUFMYUVOBIR-CKLIRGIKSA-N 0 0 505.618 2.700 50 0 KFAARN NC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1cccc(Br)c1 ZINC000097986047 1059753291 /nfs/dbraw/zinc/75/32/91/1059753291.db2.gz BPDCMOMMVPRDEH-VHNWJRSRSA-N 0 0 521.437 2.694 50 0 KFAARN NC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1cccc(Br)c1 ZINC000097986048 1059753320 /nfs/dbraw/zinc/75/33/20/1059753320.db2.gz BPDCMOMMVPRDEH-KRBJHKROSA-N 0 0 521.437 2.694 50 0 KFAARN O=C1CNC(=O)N1C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000097986467 554024282 /nfs/dbraw/zinc/02/42/82/554024282.db2.gz OUIIMHPNGOQOAJ-LBPRGKRZSA-N 0 0 575.144 2.916 50 0 KFAARN O=C1CNC(=O)N1C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000097986468 554024254 /nfs/dbraw/zinc/02/42/54/554024254.db2.gz OUIIMHPNGOQOAJ-GFCCVEGCSA-N 0 0 575.144 2.916 50 0 KFAARN O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)NCc2ccco2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000097986764 554025484 /nfs/dbraw/zinc/02/54/84/554025484.db2.gz GXRJKSLPQFEYSV-UHFFFAOYSA-N 0 0 552.609 2.740 50 0 KFAARN CCOc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1 ZINC000097986766 554025461 /nfs/dbraw/zinc/02/54/61/554025461.db2.gz ZOJLTPORMBDHRS-UHFFFAOYSA-N 0 0 566.636 2.638 50 0 KFAARN CCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1 ZINC000097986767 554025437 /nfs/dbraw/zinc/02/54/37/554025437.db2.gz WQTPYFPVPBKPDW-UHFFFAOYSA-N 0 0 550.637 2.802 50 0 KFAARN CCN(Cc1ccccc1)C(=O)Cn1c2ccsc2c(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O ZINC000097986768 554025446 /nfs/dbraw/zinc/02/54/46/554025446.db2.gz PTQWJMGNSVSVPM-UHFFFAOYSA-N 0 0 564.664 2.650 50 0 KFAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)cc1)NC[C@@H]1CCCO1 ZINC000097986773 554025478 /nfs/dbraw/zinc/02/54/78/554025478.db2.gz RETXOKBIQJGPFS-NRFANRHFSA-N 0 0 548.546 2.907 50 0 KFAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)cc1)NC[C@H]1CCCO1 ZINC000097986774 554025480 /nfs/dbraw/zinc/02/54/80/554025480.db2.gz RETXOKBIQJGPFS-OAQYLSRUSA-N 0 0 548.546 2.907 50 0 KFAARN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CC3CCC(C(=O)NCCc4ccccc4)CC3)c2=O)n[nH]1 ZINC000097986791 554025698 /nfs/dbraw/zinc/02/56/98/554025698.db2.gz JPYGPCVWVIBCCU-UHFFFAOYSA-N 0 0 542.640 2.999 50 0 KFAARN Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CCCSc3nnnn3-c3ccccc3)c2c(=O)[nH]c1=O ZINC000097987807 554027296 /nfs/dbraw/zinc/02/72/96/554027296.db2.gz BPCZVBDLFLUEII-UHFFFAOYSA-N 0 0 579.090 2.561 50 0 KFAARN CCN1CCN(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(OC)c(OC)c2)C(=O)C1=O ZINC000097987860 554027569 /nfs/dbraw/zinc/02/75/69/554027569.db2.gz SAQIKGBQEPCOKZ-FQEVSTJZSA-N 0 0 543.418 2.835 50 0 KFAARN CCN1CCN(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(OC)c(OC)c2)C(=O)C1=O ZINC000097987861 554027532 /nfs/dbraw/zinc/02/75/32/554027532.db2.gz SAQIKGBQEPCOKZ-HXUWFJFHSA-N 0 0 543.418 2.835 50 0 KFAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1)Nc1cccc(F)c1 ZINC000097987865 554027915 /nfs/dbraw/zinc/02/79/15/554027915.db2.gz GROGEMDIAWAWKB-UHFFFAOYSA-N 0 0 537.620 2.681 50 0 KFAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)NCc1ccc2c(c1)OCO2 ZINC000097987879 554027867 /nfs/dbraw/zinc/02/78/67/554027867.db2.gz FWNJJYSLHIJTAQ-UHFFFAOYSA-N 0 0 561.667 2.712 50 0 KFAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4nc5ccccc5s4)nn32)cc1 ZINC000097990178 554028724 /nfs/dbraw/zinc/02/87/24/554028724.db2.gz LQBQOZGWEWPIRJ-UHFFFAOYSA-N 0 0 555.667 2.994 50 0 KFAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(OC(F)(F)F)cc1 ZINC000097990802 554028768 /nfs/dbraw/zinc/02/87/68/554028768.db2.gz RWDUPUNPTWJDTD-UHFFFAOYSA-N 0 0 525.505 2.811 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3nnc(NC(C)=O)s3)cc2=O)cc1 ZINC000097990820 554029054 /nfs/dbraw/zinc/02/90/54/554029054.db2.gz MYDSRZHBKZWYCI-UHFFFAOYSA-N 0 0 538.629 2.992 50 0 KFAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)co2)s1 ZINC000097990826 554029074 /nfs/dbraw/zinc/02/90/74/554029074.db2.gz UZUFYUGVBNANFV-UHFFFAOYSA-N 0 0 524.602 2.602 50 0 KFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc1 ZINC000097990837 554029077 /nfs/dbraw/zinc/02/90/77/554029077.db2.gz AXELWEXOXLALDD-UHFFFAOYSA-N 0 0 536.613 2.602 50 0 KFAARN CN(C(=O)COC(=O)C=Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097994047 554031465 /nfs/dbraw/zinc/03/14/65/554031465.db2.gz HKCZDSHBGUXNBU-NTMALXAHSA-N 0 0 503.342 2.693 50 0 KFAARN CC(C)CN(C(=O)COC(=O)C=Cc1ccc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097994113 1059753259 /nfs/dbraw/zinc/75/32/59/1059753259.db2.gz RGRKGRBJCBGJAU-PFONDFGASA-N 0 0 527.581 2.961 50 0 KFAARN CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c(C(=O)OCC)c1C ZINC000097994486 554032048 /nfs/dbraw/zinc/03/20/48/554032048.db2.gz NDCZUKHXHZGZHV-UHFFFAOYSA-N 0 0 540.616 2.692 50 0 KFAARN COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(=O)c3cn(CC(=O)N4CCCC4)c4ccccc34)cc12 ZINC000097994487 554032021 /nfs/dbraw/zinc/03/20/21/554032021.db2.gz APLZOHJKGBTZBB-UHFFFAOYSA-N 0 0 530.581 2.664 50 0 KFAARN O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000097994530 554032595 /nfs/dbraw/zinc/03/25/95/554032595.db2.gz SXWHREKUQJJCSH-UHFFFAOYSA-N 0 0 533.948 2.823 50 0 KFAARN O=C(Nc1ccc2c(c1)OCCOCCOCCOCCOCCO2)Nc1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000097994911 554033051 /nfs/dbraw/zinc/03/30/51/554033051.db2.gz IYXYXGWYBYAWCM-UHFFFAOYSA-N 0 0 636.695 2.989 50 0 KFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCN3CCOCC3)C2=S)cc1 ZINC000097995384 554034538 /nfs/dbraw/zinc/03/45/38/554034538.db2.gz AEVIEBRXVMVXPY-XMMPIXPASA-N 0 0 554.669 2.925 50 0 KFAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCN3CCOCC3)C2=S)cc1 ZINC000097995385 554034438 /nfs/dbraw/zinc/03/44/38/554034438.db2.gz AEVIEBRXVMVXPY-DEOSSOPVSA-N 0 0 554.669 2.925 50 0 KFAARN O=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000097995548 554035822 /nfs/dbraw/zinc/03/58/22/554035822.db2.gz XAMJSKVJSCJJON-SANMLTNESA-N 0 0 582.704 2.625 50 0 KFAARN COc1cc(OC)cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1 ZINC000097996388 1059753233 /nfs/dbraw/zinc/75/32/33/1059753233.db2.gz WRZOLQBREVIHFA-YBFXNURJSA-N 0 0 503.964 2.940 50 0 KFAARN CCOC(=O)c1ccccc1C(=O)N1CCOCCOCCN(C(=O)c2ccccc2C(=O)OCC)CCOCCOCC1 ZINC000097997782 554040583 /nfs/dbraw/zinc/04/05/83/554040583.db2.gz RHQYQPGMTBVRFR-UHFFFAOYSA-N 0 0 614.692 2.705 50 0 KFAARN O=C(CCC(=O)N1CCOCCN(C(=O)CCC(=O)OCc2ccccc2)CCOCC1)OCc1ccccc1 ZINC000097998428 554041450 /nfs/dbraw/zinc/04/14/50/554041450.db2.gz BKKIEMHLCKCEHX-UHFFFAOYSA-N 0 0 554.640 2.738 50 0 biogenic KFAARN O=C(COC(=O)CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3)cc2C1=O)Nc1ccc(F)cc1 ZINC000097998487 554041774 /nfs/dbraw/zinc/04/17/74/554041774.db2.gz NEHUERFWKDLKHY-UHFFFAOYSA-N 0 0 551.458 2.538 50 0 KFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(Br)cc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097999358 554042318 /nfs/dbraw/zinc/04/23/18/554042318.db2.gz VDUINWNVJQEQIW-LJQANCHMSA-N 0 0 525.377 2.721 50 0 KFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(Br)cc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000097999359 554042368 /nfs/dbraw/zinc/04/23/68/554042368.db2.gz VDUINWNVJQEQIW-IBGZPJMESA-N 0 0 525.377 2.721 50 0 KFAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000098002613 554053728 /nfs/dbraw/zinc/05/37/28/554053728.db2.gz IFSNUELEPFUIEH-QFIPXVFZSA-N 0 0 527.624 2.548 50 0 KFAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000098002614 554053746 /nfs/dbraw/zinc/05/37/46/554053746.db2.gz IFSNUELEPFUIEH-JOCHJYFZSA-N 0 0 527.624 2.548 50 0 KFAARN CSc1nnc(NC(=O)CSc2nn3c(SCC(=O)Nc4nnc(SC)s4)nnc3s2)s1 ZINC000098002686 554054192 /nfs/dbraw/zinc/05/41/92/554054192.db2.gz GDIAMRBCQBZPMS-UHFFFAOYSA-N 0 0 564.776 2.794 50 0 KFAARN COC(=O)COc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc3c2=O)cc1 ZINC000098003733 554056240 /nfs/dbraw/zinc/05/62/40/554056240.db2.gz LFJWZGQJWCKALS-UHFFFAOYSA-N 0 0 606.657 2.583 50 0 KFAARN CCOc1ccc(Cn2c(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000098005109 554056919 /nfs/dbraw/zinc/05/69/19/554056919.db2.gz XKWFRRXAQVUNCR-UHFFFAOYSA-N 0 0 610.712 2.859 50 0 KFAARN CCOc1ccc(Cn2c(SCC(=O)NCCc3ccc(OC)c(OC)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000098005139 554057139 /nfs/dbraw/zinc/05/71/39/554057139.db2.gz XAWSYGAGGPJIQU-UHFFFAOYSA-N 0 0 611.721 2.748 50 0 KFAARN CCCCC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(N3C(=O)N[C@@](NC(=O)CCCC)(C(F)(F)F)C3=O)cc2)C1=O ZINC000098005173 554057458 /nfs/dbraw/zinc/05/74/58/554057458.db2.gz CXPZNCLPOXWBFO-FGZHOGPDSA-N 0 0 608.496 2.929 50 0 KFAARN CCCCC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(N3C(=O)N[C@](NC(=O)CCCC)(C(F)(F)F)C3=O)cc2)C1=O ZINC000098005174 554057494 /nfs/dbraw/zinc/05/74/94/554057494.db2.gz CXPZNCLPOXWBFO-SZPZYZBQSA-N 0 0 608.496 2.929 50 0 KFAARN CCCCC(=O)N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(N3C(=O)N[C@](NC(=O)CCCC)(C(F)(F)F)C3=O)cc2)C1=O ZINC000098005175 554057416 /nfs/dbraw/zinc/05/74/16/554057416.db2.gz CXPZNCLPOXWBFO-VXKWHMMOSA-N 0 0 608.496 2.929 50 0 KFAARN Cn1c2nc(SCc3nc(N)nc(N4CCCCC4)n3)n(Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O ZINC000098007086 554062994 /nfs/dbraw/zinc/06/29/94/554062994.db2.gz WRCZNOAMPBLCNS-UHFFFAOYSA-N 0 0 561.594 2.551 50 0 KFAARN O=C(Nc1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000098007847 554064762 /nfs/dbraw/zinc/06/47/62/554064762.db2.gz HPWZSRKPHXIDDI-UHFFFAOYSA-N 0 0 587.676 2.773 50 0 KFAARN Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000098007991 554065351 /nfs/dbraw/zinc/06/53/51/554065351.db2.gz FDRCOOWHISLERR-UHFFFAOYSA-N 0 0 528.034 2.832 50 0 KFAARN COc1ccc(OC)c2c(C)cc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCCN5S(C)(=O)=O)CC3)nc12 ZINC000098007995 554065420 /nfs/dbraw/zinc/06/54/20/554065420.db2.gz IJFLZCRJRIIEFO-UHFFFAOYSA-N 0 0 560.698 2.784 50 0 KFAARN Cn1c2nc(SCC(=O)NCc3cccs3)n(Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O ZINC000098008014 554065385 /nfs/dbraw/zinc/06/53/85/554065385.db2.gz SCEYWBKHXQVJNW-UHFFFAOYSA-N 0 0 523.562 2.971 50 0 KFAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)C2=O)cc1 ZINC000098008874 554067864 /nfs/dbraw/zinc/06/78/64/554067864.db2.gz UDWUOGJHBCPDLP-MEPUESOJSA-N 0 0 517.629 2.851 50 0 KFAARN COc1ccc(C=CC(=O)N[C@H](C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C(C)C)cc1 ZINC000098008881 1059441175 /nfs/dbraw/zinc/44/11/75/1059441175.db2.gz 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ZINC000098014674 554091780 /nfs/dbraw/zinc/09/17/80/554091780.db2.gz DMWPHEXJWBYQLA-AREMUKBSSA-N 0 0 550.631 2.552 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014679 554091826 /nfs/dbraw/zinc/09/18/26/554091826.db2.gz RTPPTCIRBHNDHQ-SANMLTNESA-N 0 0 544.608 2.889 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014680 554092110 /nfs/dbraw/zinc/09/21/10/554092110.db2.gz RTPPTCIRBHNDHQ-AREMUKBSSA-N 0 0 544.608 2.889 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014693 554092094 /nfs/dbraw/zinc/09/20/94/554092094.db2.gz TUVNGVKGAISXQU-SANMLTNESA-N 0 0 544.608 2.889 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014694 554092127 /nfs/dbraw/zinc/09/21/27/554092127.db2.gz TUVNGVKGAISXQU-AREMUKBSSA-N 0 0 544.608 2.889 50 0 KFAARN CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4ccc(OC)cc4)CC3)N2C(=O)c2ccc(OC)cc2)CC1 ZINC000098014699 554092074 /nfs/dbraw/zinc/09/20/74/554092074.db2.gz WYLKJKCHABZZAX-MHZLTWQESA-N 0 0 593.677 2.979 50 0 KFAARN CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccc(OC)cc4)CC3)N2C(=O)c2ccc(OC)cc2)CC1 ZINC000098014700 554092119 /nfs/dbraw/zinc/09/21/19/554092119.db2.gz WYLKJKCHABZZAX-HHHXNRCGSA-N 0 0 593.677 2.979 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(OC)c2)CC3)cc1 ZINC000098014721 554092464 /nfs/dbraw/zinc/09/24/64/554092464.db2.gz RODKGWNHAQPDRR-SANMLTNESA-N 0 0 544.608 2.889 50 0 KFAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(OC)c2)CC3)cc1 ZINC000098014722 554092403 /nfs/dbraw/zinc/09/24/03/554092403.db2.gz RODKGWNHAQPDRR-AREMUKBSSA-N 0 0 544.608 2.889 50 0 KFAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000098014725 554092429 /nfs/dbraw/zinc/09/24/29/554092429.db2.gz AZYDQYUOJMBLMD-DEOSSOPVSA-N 0 0 558.591 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CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000100725623 554456577 /nfs/dbraw/zinc/45/65/77/554456577.db2.gz MMKRVFRWAPOJQH-UGUGFTGJSA-N 0 0 533.606 2.552 50 0 KFAARN O=C(Cn1cnc2c(I)cc(I)cc2c1=O)Nc1ccc2c(c1)OCO2 ZINC000100744139 554463935 /nfs/dbraw/zinc/46/39/35/554463935.db2.gz SMBMBKLAJMTRMV-UHFFFAOYSA-N 0 0 575.100 2.973 50 0 KFAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)C1=O ZINC000100754956 554466615 /nfs/dbraw/zinc/46/66/15/554466615.db2.gz QFJPCAPALPOYEZ-VFJWVMJUSA-N 0 0 538.025 2.815 50 0 KFAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)C1=O ZINC000100754959 554466606 /nfs/dbraw/zinc/46/66/06/554466606.db2.gz QFJPCAPALPOYEZ-RKKARLDVSA-N 0 0 538.025 2.815 50 0 KFAARN CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@H]2OC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)OCc2ccccc2)O1 ZINC000100771941 554471303 /nfs/dbraw/zinc/47/13/03/554471303.db2.gz PGIQKXPBSUHAPP-JSJLHYKCSA-N 0 0 598.649 2.580 50 0 biogenic KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100790340 554473054 /nfs/dbraw/zinc/47/30/54/554473054.db2.gz YWMCBYWCSIMJMV-QFVBLGFASA-N 0 0 534.546 2.830 50 0 KFAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100790343 554473032 /nfs/dbraw/zinc/47/30/32/554473032.db2.gz YWMCBYWCSIMJMV-JDCXBEBJSA-N 0 0 534.546 2.830 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1 ZINC000100805459 554474826 /nfs/dbraw/zinc/47/48/26/554474826.db2.gz ZRQWIVXUGDLUOS-JGZDWKDESA-N 0 0 526.592 2.710 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1cccs1 ZINC000100805461 554474895 /nfs/dbraw/zinc/47/48/95/554474895.db2.gz ZRQWIVXUGDLUOS-WYWXSHKMSA-N 0 0 526.592 2.710 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100805546 554474740 /nfs/dbraw/zinc/47/47/40/554474740.db2.gz ZUDAFFYMDWQVBX-YXDQGSNCSA-N 0 0 552.605 2.749 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100805548 554474723 /nfs/dbraw/zinc/47/47/23/554474723.db2.gz ZUDAFFYMDWQVBX-ITIZVALFSA-N 0 0 552.605 2.749 50 0 KFAARN O=C(CCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000100812736 554475439 /nfs/dbraw/zinc/47/54/39/554475439.db2.gz XDYSVEJUWKFNFI-UHFFFAOYSA-N 0 0 550.656 2.693 50 0 KFAARN CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)n2C ZINC000100814208 554475478 /nfs/dbraw/zinc/47/54/78/554475478.db2.gz PKFRSYXADGIVPI-WCWDXBQESA-N 0 0 507.634 2.663 50 0 KFAARN O=C(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)NCC(=O)OCc1ccccc1 ZINC000100814743 554475848 /nfs/dbraw/zinc/47/58/48/554475848.db2.gz FEUOJOHXGXZYBX-AREMUKBSSA-N 0 0 542.592 2.981 50 0 KFAARN O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000100816195 554476431 /nfs/dbraw/zinc/47/64/31/554476431.db2.gz LZSHROARPRLUKT-SANMLTNESA-N 0 0 575.618 2.781 50 0 KFAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c(C(=O)OCC)c1C ZINC000100817263 554477409 /nfs/dbraw/zinc/47/74/09/554477409.db2.gz XQEZCAUNLLAPMM-UHFFFAOYSA-N 0 0 535.604 2.792 50 0 KFAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(CC)C2 ZINC000100817680 554477913 /nfs/dbraw/zinc/47/79/13/554477913.db2.gz BVMFLDHTKHCTJL-UHFFFAOYSA-N 0 0 553.703 2.839 50 0 KFAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(C)C)C3)cc1 ZINC000100817771 554478075 /nfs/dbraw/zinc/47/80/75/554478075.db2.gz JUZGFGVDKJQYAT-UHFFFAOYSA-N 0 0 553.703 2.837 50 0 KFAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cccc(OC)c4n3CC)cc2)CC1 ZINC000100820330 554479312 /nfs/dbraw/zinc/47/93/12/554479312.db2.gz FQHSSLUACZSFJH-BZZOAKBMSA-N 0 0 532.644 2.935 50 0 KFAARN CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1 ZINC000100820335 554479257 /nfs/dbraw/zinc/47/92/57/554479257.db2.gz LKLJRUYJFLQIID-VHXPQNKSSA-N 0 0 507.634 2.756 50 0 KFAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)n(C)c21 ZINC000100820406 554479767 /nfs/dbraw/zinc/47/97/67/554479767.db2.gz IUDXNYHJUJMWKL-VHXPQNKSSA-N 0 0 507.634 2.663 50 0 KFAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(F)cc(F)c4n3C)cc2)CC1 ZINC000100823719 554481412 /nfs/dbraw/zinc/48/14/12/554481412.db2.gz ZDTSBHLYZCSGBK-NJNXFGOHSA-N 0 0 524.571 2.722 50 0 KFAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cccc(F)c4n3C)cc2)CC1 ZINC000100823747 554481774 /nfs/dbraw/zinc/48/17/74/554481774.db2.gz JEBRRCKJFCCDKA-DARPEHSRSA-N 0 0 506.581 2.583 50 0 KFAARN COCCn1c2ccc(OC)cc2sc1=NC(=O)CSCC(=O)N1CCN(c2ccccc2)CC1 ZINC000100825355 554481970 /nfs/dbraw/zinc/48/19/70/554481970.db2.gz FCPZDTRINPKALZ-QPLCGJKRSA-N 0 0 514.673 2.867 50 0 KFAARN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 ZINC000100832148 554482641 /nfs/dbraw/zinc/48/26/41/554482641.db2.gz JFXOONUROAUNGA-WAABAYLZSA-N 0 0 505.490 2.890 50 0 KFAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000100836686 554483770 /nfs/dbraw/zinc/48/37/70/554483770.db2.gz WIVMOZLEVXNBQS-UHFFFAOYSA-N 0 0 546.613 2.722 50 0 KFAARN COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nnc1SCC(=O)Nc1nccs1 ZINC000100837841 554484588 /nfs/dbraw/zinc/48/45/88/554484588.db2.gz CDCIPARJWSCFQN-UHFFFAOYSA-N 0 0 587.709 2.644 50 0 KFAARN Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2nccs2)c1 ZINC000100837852 554484580 /nfs/dbraw/zinc/48/45/80/554484580.db2.gz IHXZFQWFXPCQSW-UHFFFAOYSA-N 0 0 613.747 2.714 50 0 KFAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O ZINC000100838257 554485475 /nfs/dbraw/zinc/48/54/75/554485475.db2.gz DJNNEWDXMRYRBS-LNXFQTKESA-N 0 0 580.615 2.666 50 0 KFAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O ZINC000100838258 554485458 /nfs/dbraw/zinc/48/54/58/554485458.db2.gz DJNNEWDXMRYRBS-DJTCXORXSA-N 0 0 580.615 2.666 50 0 KFAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000100838322 554485739 /nfs/dbraw/zinc/48/57/39/554485739.db2.gz XIZHWNBLBIHWKQ-ULWNEYHBSA-N 0 0 575.643 2.859 50 0 KFAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000100838324 554485670 /nfs/dbraw/zinc/48/56/70/554485670.db2.gz XIZHWNBLBIHWKQ-ZCCPQQFYSA-N 0 0 575.643 2.859 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839295 554487239 /nfs/dbraw/zinc/48/72/39/554487239.db2.gz LMNGPZMPPLISAV-DJTCXORXSA-N 0 0 580.615 2.666 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839296 554487206 /nfs/dbraw/zinc/48/72/06/554487206.db2.gz LMNGPZMPPLISAV-LNXFQTKESA-N 0 0 580.615 2.666 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839430 554487501 /nfs/dbraw/zinc/48/75/01/554487501.db2.gz OAMQRWBHKOAHPO-AQIZGWBQSA-N 0 0 552.605 2.749 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839431 554487522 /nfs/dbraw/zinc/48/75/22/554487522.db2.gz OAMQRWBHKOAHPO-ZDGAQAAHSA-N 0 0 552.605 2.749 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839446 554487478 /nfs/dbraw/zinc/48/74/78/554487478.db2.gz IXAHKWYURUTROV-YXDQGSNCSA-N 0 0 550.589 2.658 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839448 554487410 /nfs/dbraw/zinc/48/74/10/554487410.db2.gz IXAHKWYURUTROV-ITIZVALFSA-N 0 0 550.589 2.658 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839449 554487505 /nfs/dbraw/zinc/48/75/05/554487505.db2.gz ISAIXZGAFRRNHE-MGSPXPDISA-N 0 0 552.605 2.749 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839451 554487475 /nfs/dbraw/zinc/48/74/75/554487475.db2.gz ISAIXZGAFRRNHE-XPCGLTFESA-N 0 0 552.605 2.749 50 0 KFAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2cc(C)ccc2C)s1 ZINC000100840309 554488499 /nfs/dbraw/zinc/48/84/99/554488499.db2.gz JFCRKLRGQMPAPK-UHFFFAOYSA-N 0 0 600.752 2.955 50 0 KFAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2nccs2)c1 ZINC000100840312 554488502 /nfs/dbraw/zinc/48/85/02/554488502.db2.gz UAJCGGWXZFZKSQ-UHFFFAOYSA-N 0 0 617.735 2.652 50 0 KFAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(C)ccc4n3C)cc2)CC1 ZINC000100843262 554490332 /nfs/dbraw/zinc/49/03/32/554490332.db2.gz BXFOJEWPYMRSBZ-GYHWCHFESA-N 0 0 502.618 2.752 50 0 KFAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(F)ccc4n3C)cc2)CC1 ZINC000100843481 554490342 /nfs/dbraw/zinc/49/03/42/554490342.db2.gz NKYZVIXOIXQJJM-DARPEHSRSA-N 0 0 506.581 2.583 50 0 KFAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000100852643 554492761 /nfs/dbraw/zinc/49/27/61/554492761.db2.gz CXUIDEAYOKTTBS-UHFFFAOYSA-N 0 0 544.564 2.636 50 0 KFAARN Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100859767 554494416 /nfs/dbraw/zinc/49/44/16/554494416.db2.gz VVFMHYNOEKJXDF-FCQUAONHSA-N 0 0 507.659 2.949 50 0 KFAARN COCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100872420 554501046 /nfs/dbraw/zinc/50/10/46/554501046.db2.gz GUYPRZAIRRXGGD-VHXPQNKSSA-N 0 0 503.602 2.661 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(C)(=O)=O)ccc3n2CCOC)cc1 ZINC000100872733 554501760 /nfs/dbraw/zinc/50/17/60/554501760.db2.gz MDMQLUSFDKAOAT-FCQUAONHSA-N 0 0 525.674 2.524 50 0 KFAARN COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100872771 554501634 /nfs/dbraw/zinc/50/16/34/554501634.db2.gz LHGBEWUSDBKSBU-VHXPQNKSSA-N 0 0 537.685 2.668 50 0 KFAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000100873015 554501898 /nfs/dbraw/zinc/50/18/98/554501898.db2.gz APNIXVZRSGHHOX-LCUIJRPUSA-N 0 0 560.679 2.563 50 0 KFAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CCOC)cc1 ZINC000100873038 554501882 /nfs/dbraw/zinc/50/18/82/554501882.db2.gz HHFPUQZWEYIXBP-SGEDCAFJSA-N 0 0 588.733 2.949 50 0 KFAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000100873147 554502250 /nfs/dbraw/zinc/50/22/50/554502250.db2.gz RRHBSIPADBFEEM-JBKGGCNYSA-N 0 0 519.645 2.897 50 0 KFAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000100873148 554502232 /nfs/dbraw/zinc/50/22/32/554502232.db2.gz RRHBSIPADBFEEM-CGZGMLGNSA-N 0 0 519.645 2.897 50 0 KFAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(OC)ccc4n3CCOC)cc2)CC1 ZINC000100873163 554502243 /nfs/dbraw/zinc/50/22/43/554502243.db2.gz RKKPAQJVCCHZRK-LCUIJRPUSA-N 0 0 562.670 2.562 50 0 KFAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100873618 554502521 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ZINC000101264766 554698128 /nfs/dbraw/zinc/69/81/28/554698128.db2.gz REDITJJYTODDJY-MHZLTWQESA-N 0 0 585.661 2.681 50 0 KFAARN COc1ccc(CCNC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)cc1OC ZINC000101266688 554699277 /nfs/dbraw/zinc/69/92/77/554699277.db2.gz IZSRJMRSXMEDRA-CALCHBBNSA-N 0 0 562.714 2.809 50 0 KFAARN COc1ccc(CCNC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)cc1OC ZINC000101266690 554699211 /nfs/dbraw/zinc/69/92/11/554699211.db2.gz IZSRJMRSXMEDRA-IRXDYDNUSA-N 0 0 562.714 2.809 50 0 KFAARN COc1ccc(CCNC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)cc1OC ZINC000101266691 554699239 /nfs/dbraw/zinc/69/92/39/554699239.db2.gz IZSRJMRSXMEDRA-IAGOWNOFSA-N 0 0 562.714 2.809 50 0 KFAARN Cc1sc2ncn(CC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000101266709 554699260 /nfs/dbraw/zinc/69/92/60/554699260.db2.gz MTXZBASPQNOXSY-BGYRXZFFSA-N 0 0 557.742 2.777 50 0 KFAARN Cc1sc2ncn(CC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000101266712 554699232 /nfs/dbraw/zinc/69/92/32/554699232.db2.gz MTXZBASPQNOXSY-PMACEKPBSA-N 0 0 557.742 2.777 50 0 KFAARN Cc1sc2ncn(CC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000101266715 554699219 /nfs/dbraw/zinc/69/92/19/554699219.db2.gz MTXZBASPQNOXSY-WOJBJXKFSA-N 0 0 557.742 2.777 50 0 KFAARN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1 ZINC000101266820 554699310 /nfs/dbraw/zinc/69/93/10/554699310.db2.gz KHBCZPQKXRVULX-UXHICEINSA-N 0 0 512.625 2.653 50 0 KFAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)c(C)c1)c(=O)n(CCC(=O)NCc1ccco1)c2=O ZINC000101267667 554699547 /nfs/dbraw/zinc/69/95/47/554699547.db2.gz MTIHVLMKDUPOMG-UHFFFAOYSA-N 0 0 534.569 2.735 50 0 KFAARN CCc1ccccc1NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(CCC(=O)NCc2ccco2)c1=O ZINC000101267668 554699549 /nfs/dbraw/zinc/69/95/49/554699549.db2.gz VCMNKGATTVTAAR-UHFFFAOYSA-N 0 0 534.569 2.681 50 0 KFAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)cc1C)c(=O)n(CCC(=O)NCc1ccco1)c2=O ZINC000101267669 554699554 /nfs/dbraw/zinc/69/95/54/554699554.db2.gz MUMGUUUXRSMPFG-UHFFFAOYSA-N 0 0 534.569 2.735 50 0 KFAARN CCc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(CCC(=O)NCc3ccco3)c2=O)c1 ZINC000101267670 554699598 /nfs/dbraw/zinc/69/95/98/554699598.db2.gz HKCDMCSERZXZLD-UHFFFAOYSA-N 0 0 534.569 2.681 50 0 KFAARN COc1cc2c(cc1OC)n(CC(=O)Nc1c(C)cccc1C)c(=O)n(CCC(=O)NCc1ccco1)c2=O ZINC000101267672 554699563 /nfs/dbraw/zinc/69/95/63/554699563.db2.gz OCSMMJCKHZUMJF-UHFFFAOYSA-N 0 0 534.569 2.735 50 0 KFAARN COc1cc2c(cc1OC)n(CC(=O)N1CCCc3ccccc31)c(=O)n(CCC(=O)NC1CCCC1)c2=O ZINC000101267673 554699520 /nfs/dbraw/zinc/69/95/20/554699520.db2.gz ZERRZLJRAVTTRU-UHFFFAOYSA-N 0 0 534.613 2.609 50 0 KFAARN COc1cc2c(=O)n(CCC(=O)NCc3ccco3)c(=O)n(CC(=O)Nc3ccc(C)c(F)c3)c2cc1OC ZINC000101267680 554699577 /nfs/dbraw/zinc/69/95/77/554699577.db2.gz BLFOJFLZPMVWKR-UHFFFAOYSA-N 0 0 538.532 2.566 50 0 KFAARN 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KFAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CSc2nc3ccccc3nc2N2CCOCC2)CC1 ZINC000101408322 554763231 /nfs/dbraw/zinc/76/32/31/554763231.db2.gz WODVREISSHMCIO-UHFFFAOYSA-N 0 0 578.116 2.754 50 0 KFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2nnnn2-c2ccc(F)cc2)c2ccccc21 ZINC000101409655 554763344 /nfs/dbraw/zinc/76/33/44/554763344.db2.gz KIXGDEQFYIADJJ-HHHXNRCGSA-N 0 0 562.529 2.786 50 0 KFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2nnnn2-c2ccc(F)cc2)c2ccccc21 ZINC000101409656 554763314 /nfs/dbraw/zinc/76/33/14/554763314.db2.gz KIXGDEQFYIADJJ-MHZLTWQESA-N 0 0 562.529 2.786 50 0 KFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000101411155 554763882 /nfs/dbraw/zinc/76/38/82/554763882.db2.gz DDQIKULDRYRRLN-MUUNZHRXSA-N 0 0 551.542 2.927 50 0 KFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000101411157 554763876 /nfs/dbraw/zinc/76/38/76/554763876.db2.gz DDQIKULDRYRRLN-NDEPHWFRSA-N 0 0 551.542 2.927 50 0 KFAARN CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4cc(C(=O)OC)cc(C(=O)OC)c4)cc3C2=O)CC1 ZINC000101411879 554763886 /nfs/dbraw/zinc/76/38/86/554763886.db2.gz YVGOHIHZLFLZGK-UHFFFAOYSA-N 0 0 537.525 2.729 50 0 KFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CC(=O)NCCc2ccccc2)C1=O ZINC000101413270 554764404 /nfs/dbraw/zinc/76/44/04/554764404.db2.gz BPHQEOFTBKJCEY-GDLZYMKVSA-N 0 0 547.579 2.830 50 0 KFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(CC(=O)NCCc2ccccc2)C1=O ZINC000101413272 554764411 /nfs/dbraw/zinc/76/44/11/554764411.db2.gz BPHQEOFTBKJCEY-LJAQVGFWSA-N 0 0 547.579 2.830 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCN1CCN(c3cccc(Cl)c3)CC1)cn2C ZINC000101415534 554764670 /nfs/dbraw/zinc/76/46/70/554764670.db2.gz DMDSTUSOSWTHOH-UHFFFAOYSA-N 0 0 560.120 2.774 50 0 KFAARN CCn1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000101415679 554764647 /nfs/dbraw/zinc/76/46/47/554764647.db2.gz SHNGYXMRNMJSKH-UHFFFAOYSA-N 0 0 560.120 2.867 50 0 KFAARN CCOC(=O)N1CCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3c2=O)CC1 ZINC000101417654 554766298 /nfs/dbraw/zinc/76/62/98/554766298.db2.gz VLMYHBLNDZGWBG-UHFFFAOYSA-N 0 0 552.653 2.683 50 0 KFAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(Br)cc2C[C@H]1C ZINC000101420253 554766919 /nfs/dbraw/zinc/76/69/19/554766919.db2.gz OEEKIKQQRPUUJJ-OAHLLOKOSA-N 0 0 536.448 2.982 50 0 KFAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(Br)cc2C[C@@H]1C ZINC000101420257 554766948 /nfs/dbraw/zinc/76/69/48/554766948.db2.gz OEEKIKQQRPUUJJ-HNNXBMFYSA-N 0 0 536.448 2.982 50 0 KFAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)NCCCN4CCN(c5ccccc5F)CC4)[nH]c3c2cc1OC ZINC000101425457 554768511 /nfs/dbraw/zinc/76/85/11/554768511.db2.gz VXAPKOFIXVZJPA-HXUWFJFHSA-N 0 0 568.675 2.619 50 0 KFAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)NCCCN4CCN(c5ccccc5F)CC4)[nH]c3c2cc1OC ZINC000101425459 554768502 /nfs/dbraw/zinc/76/85/02/554768502.db2.gz VXAPKOFIXVZJPA-FQEVSTJZSA-N 0 0 568.675 2.619 50 0 KFAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)NCCN4CCN(c5cccc(Cl)c5)CC4)[nH]c3c2cc1OC ZINC000101425531 554768557 /nfs/dbraw/zinc/76/85/57/554768557.db2.gz FGSVMYBGOQMLRW-HXUWFJFHSA-N 0 0 571.103 2.744 50 0 KFAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)NCCN4CCN(c5cccc(Cl)c5)CC4)[nH]c3c2cc1OC ZINC000101425532 554768421 /nfs/dbraw/zinc/76/84/21/554768421.db2.gz FGSVMYBGOQMLRW-FQEVSTJZSA-N 0 0 571.103 2.744 50 0 KFAARN O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc21)NCc1ccco1 ZINC000101432410 554770872 /nfs/dbraw/zinc/77/08/72/554770872.db2.gz NLDWFNMQTVDVND-UHFFFAOYSA-N 0 0 552.543 2.721 50 0 KFAARN CC[C@@H](C)NC(=O)Cn1c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c(=O)n(-c2ccccc2)c1=O ZINC000101432417 554770875 /nfs/dbraw/zinc/77/08/75/554770875.db2.gz CXOLDOTZQJNEOS-GOSISDBHSA-N 0 0 528.565 2.726 50 0 KFAARN CC[C@H](C)NC(=O)Cn1c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c(=O)n(-c2ccccc2)c1=O ZINC000101432422 554770871 /nfs/dbraw/zinc/77/08/71/554770871.db2.gz CXOLDOTZQJNEOS-SFHVURJKSA-N 0 0 528.565 2.726 50 0 KFAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(CC(=O)Nc3cc(C)[nH]n3)c2=O)cc1 ZINC000101432607 554771002 /nfs/dbraw/zinc/77/10/02/554771002.db2.gz RPUZSHMLGFCWII-UHFFFAOYSA-N 0 0 552.591 2.804 50 0 KFAARN COc1ccc(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000101432727 554771197 /nfs/dbraw/zinc/77/11/97/554771197.db2.gz SUAUPYFVSWKTGO-VWLOTQADSA-N 0 0 556.619 2.962 50 0 KFAARN COc1ccc(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000101432731 554771214 /nfs/dbraw/zinc/77/12/14/554771214.db2.gz SUAUPYFVSWKTGO-RUZDIDTESA-N 0 0 556.619 2.962 50 0 KFAARN Cc1ccc(CNC(=O)c2ccc3c(c2)n(Cc2cc(=O)n4c(C)cccc4n2)c(=O)n(C[C@@H]2CCCO2)c3=O)cc1 ZINC000101432743 554771204 /nfs/dbraw/zinc/77/12/04/554771204.db2.gz SCOBASAZFZGSKC-VWLOTQADSA-N 0 0 565.630 2.945 50 0 KFAARN Cc1ccc(CNC(=O)c2ccc3c(c2)n(Cc2cc(=O)n4c(C)cccc4n2)c(=O)n(C[C@H]2CCCO2)c3=O)cc1 ZINC000101432746 554771190 /nfs/dbraw/zinc/77/11/90/554771190.db2.gz SCOBASAZFZGSKC-RUZDIDTESA-N 0 0 565.630 2.945 50 0 KFAARN O=C(Cn1c2cc(C(=O)NC3CCCCC3)ccc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O)NCc1ccco1 ZINC000101432783 554771470 /nfs/dbraw/zinc/77/14/70/554771470.db2.gz JAVWOIBPHFEUBL-UHFFFAOYSA-N 0 0 558.591 2.912 50 0 KFAARN COc1ccc(CNC(=O)c2ccc3c(c2)n(CC(=O)NCc2ccco2)c(=O)n(Cc2ccc4c(c2)OCO4)c3=O)cc1 ZINC000101432841 554771462 /nfs/dbraw/zinc/77/14/62/554771462.db2.gz VRYXMXZPOIBSJQ-UHFFFAOYSA-N 0 0 596.596 2.788 50 0 KFAARN O=C(Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O)NCc1ccco1 ZINC000101432988 554771568 /nfs/dbraw/zinc/77/15/68/554771568.db2.gz TXUHMKUTJXEDBO-UHFFFAOYSA-N 0 0 526.549 2.686 50 0 KFAARN COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCCN5C(C)=O)CC3)CC2)c1 ZINC000101438604 554772469 /nfs/dbraw/zinc/77/24/69/554772469.db2.gz AFSLCJSYYZHYBD-UHFFFAOYSA-N 0 0 540.686 2.744 50 0 KFAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@H]1c1cc(OC)ccc1OC ZINC000101440069 554772655 /nfs/dbraw/zinc/77/26/55/554772655.db2.gz OITMPUBJISKRFL-QHCPKHFHSA-N 0 0 514.604 2.533 50 0 KFAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@@H]1c1cc(OC)ccc1OC ZINC000101440071 554772733 /nfs/dbraw/zinc/77/27/33/554772733.db2.gz OITMPUBJISKRFL-HSZRJFAPSA-N 0 0 514.604 2.533 50 0 KFAARN CCC1=C(C(=O)OC)[C@H](c2cc(OC)ccc2OC)N2C(CC(=O)N3CCN(C(C)=O)CC3)=CSC2=N1 ZINC000101440220 554772946 /nfs/dbraw/zinc/77/29/46/554772946.db2.gz WZFVVFYCADYVCX-DEOSSOPVSA-N 0 0 528.631 2.923 50 0 KFAARN CCC1=C(C(=O)OC)[C@@H](c2cc(OC)ccc2OC)N2C(CC(=O)N3CCN(C(C)=O)CC3)=CSC2=N1 ZINC000101440222 554772924 /nfs/dbraw/zinc/77/29/24/554772924.db2.gz WZFVVFYCADYVCX-XMMPIXPASA-N 0 0 528.631 2.923 50 0 KFAARN CCN(CC)C(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000101443028 554773517 /nfs/dbraw/zinc/77/35/17/554773517.db2.gz LNKWFLYFBMLUQO-STZFKDTASA-N 0 0 558.657 2.961 50 0 KFAARN COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCc2ccco2)cc1OC ZINC000101443224 554773579 /nfs/dbraw/zinc/77/35/79/554773579.db2.gz NYZCJQLKDSQMEJ-HMAPJEAMSA-N 0 0 552.609 2.993 50 0 KFAARN CCCNC(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000101443611 554773845 /nfs/dbraw/zinc/77/38/45/554773845.db2.gz SRFCRIVFBRBFFO-MOSHPQCFSA-N 0 0 544.630 2.619 50 0 KFAARN COc1cc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NC(C)C)cc(OC)c1OC ZINC000101443691 554773825 /nfs/dbraw/zinc/77/38/25/554773825.db2.gz QOGIFZKLIBJKMX-NDENLUEZSA-N 0 0 544.630 2.617 50 0 KFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCCN1CCN(c3ccccc3F)CC1)cn2C ZINC000101446209 554774047 /nfs/dbraw/zinc/77/40/47/554774047.db2.gz LTNSBTJTXOECKE-UHFFFAOYSA-N 0 0 557.692 2.650 50 0 KFAARN CCN(CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)c1cccc(C)c1 ZINC000101447533 554774321 /nfs/dbraw/zinc/77/43/21/554774321.db2.gz JXJJXWLMKZYKEZ-UHFFFAOYSA-N 0 0 540.686 2.997 50 0 KFAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CCN(c4ccccc4F)CC3)cc21 ZINC000101448913 554775201 /nfs/dbraw/zinc/77/52/01/554775201.db2.gz FEWMLNQXLASRLD-UHFFFAOYSA-N 0 0 539.471 2.988 50 0 KFAARN COC(=O)c1ccccc1NC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccccc2)c1=O)CCN(C(C)=O)C3 ZINC000101453241 554776115 /nfs/dbraw/zinc/77/61/15/554776115.db2.gz DMFXWNLHBCWSDT-UHFFFAOYSA-N 0 0 532.578 2.544 50 0 KFAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccccc2)c1=O)CCN(C(C)=O)C3 ZINC000101453243 554776100 /nfs/dbraw/zinc/77/61/00/554776100.db2.gz PDGHHNSWBZIAML-UHFFFAOYSA-N 0 0 546.605 2.934 50 0 KFAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000101453262 554776113 /nfs/dbraw/zinc/77/61/13/554776113.db2.gz INDOXBRXALXBKV-UHFFFAOYSA-N 0 0 533.997 2.828 50 0 KFAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)cc1OC ZINC000101454894 554776801 /nfs/dbraw/zinc/77/68/01/554776801.db2.gz LUOHCZVQPARIBR-UHFFFAOYSA-N 0 0 546.596 2.860 50 0 KFAARN COC(=O)c1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccccc4Cl)CC2)[nH]c3=O)cc1 ZINC000101460906 554778400 /nfs/dbraw/zinc/77/84/00/554778400.db2.gz PWQJRCYSARDHCX-UHFFFAOYSA-N 0 0 543.005 2.984 50 0 KFAARN COc1cccc(N2CCN(C(=O)[C@H](NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)CC2)c1 ZINC000101468130 554781059 /nfs/dbraw/zinc/78/10/59/554781059.db2.gz MJMFVERHGMFMIA-HHHXNRCGSA-N 0 0 534.638 2.948 50 0 KFAARN COc1cccc(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)CC2)c1 ZINC000101468134 554781050 /nfs/dbraw/zinc/78/10/50/554781050.db2.gz MJMFVERHGMFMIA-MHZLTWQESA-N 0 0 534.638 2.948 50 0 KFAARN CCOC(=O)C1=C(COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000101476166 554782623 /nfs/dbraw/zinc/78/26/23/554782623.db2.gz NCNSJIBNQWBDFP-OAQYLSRUSA-N 0 0 533.628 2.563 50 0 KFAARN CCOC(=O)C1=C(COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000101476169 554782671 /nfs/dbraw/zinc/78/26/71/554782671.db2.gz NCNSJIBNQWBDFP-NRFANRHFSA-N 0 0 533.628 2.563 50 0 KFAARN CCOC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000101485353 554785240 /nfs/dbraw/zinc/78/52/40/554785240.db2.gz DBFIHASHGNEZHJ-HRRCHGLFSA-N 0 0 604.706 2.826 50 0 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CCOC(=O)c1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccccc4F)CC2)[nH]c3=O)cc1 ZINC000101665633 554822417 /nfs/dbraw/zinc/82/24/17/554822417.db2.gz LXHMJZKAQWAFEQ-UHFFFAOYSA-N 0 0 540.577 2.859 50 0 KFAARN CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1 ZINC000101673084 554826699 /nfs/dbraw/zinc/82/66/99/554826699.db2.gz JMEYDSHPKCSIJC-UHFFFAOYSA-N 0 0 519.572 2.827 50 0 in-man KFAARN COc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4F)c(=O)[nH]3)CC2)cc1OC ZINC000101681625 554828480 /nfs/dbraw/zinc/82/84/80/554828480.db2.gz ZUTRAVUUHPXNBC-UHFFFAOYSA-N 0 0 528.566 2.700 50 0 KFAARN O=C(NCCN1CCN(c2ccccc2F)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000101683698 554828913 /nfs/dbraw/zinc/82/89/13/554828913.db2.gz JBLMSKRUXNKEBR-UHFFFAOYSA-N 0 0 555.676 2.784 50 0 KFAARN CCCCN(CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000101684254 554828874 /nfs/dbraw/zinc/82/88/74/554828874.db2.gz QGSXIYOMFRLKLH-UHFFFAOYSA-N 0 0 560.742 2.959 50 0 KFAARN 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MBGRDBVYMLIKTQ-OZXSUGGESA-N 0 0 585.627 2.948 50 0 KFAARN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCCN3CCOCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000102935143 555162374 /nfs/dbraw/zinc/16/23/74/555162374.db2.gz MBGRDBVYMLIKTQ-JYFHCDHNSA-N 0 0 585.627 2.948 50 0 KFAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCN3CCOCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000102935145 555162476 /nfs/dbraw/zinc/16/24/76/555162476.db2.gz MBGRDBVYMLIKTQ-BVAGGSTKSA-N 0 0 585.627 2.948 50 0 KFAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCN3CCOCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000102935146 555162456 /nfs/dbraw/zinc/16/24/56/555162456.db2.gz MBGRDBVYMLIKTQ-ZEQKJWHPSA-N 0 0 585.627 2.948 50 0 KFAARN O=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1)C1CCCC1 ZINC000102936350 555164223 /nfs/dbraw/zinc/16/42/23/555164223.db2.gz BOPUHTNHNNXFCZ-UHFFFAOYSA-N 0 0 559.708 2.892 50 0 KFAARN CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1 ZINC000102936356 555164215 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O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000103007257 555204628 /nfs/dbraw/zinc/20/46/28/555204628.db2.gz MHDINYIENLPKBX-UHFFFAOYSA-N 0 0 533.006 2.935 50 0 KFAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103008293 555205041 /nfs/dbraw/zinc/20/50/41/555205041.db2.gz WUIJCDPCDSCIPI-UHFFFAOYSA-N 0 0 547.674 2.913 50 0 KFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000103008454 555205294 /nfs/dbraw/zinc/20/52/94/555205294.db2.gz DAGSKBXJJUZTFM-UHFFFAOYSA-N 0 0 580.663 2.922 50 0 KFAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000103010248 555205729 /nfs/dbraw/zinc/20/57/29/555205729.db2.gz CAOFYIGLKNSWNA-UHFFFAOYSA-N 0 0 543.564 2.765 50 0 KFAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3nn(C)c(=O)c4ccccc43)ccc2N2CCOCC2)cc1 ZINC000103012002 555206717 /nfs/dbraw/zinc/20/67/17/555206717.db2.gz FAAYUXYTFUPQHF-UHFFFAOYSA-N 0 0 549.609 2.832 50 0 KFAARN 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541.624 2.722 50 0 KFAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)Cc2cccs2)CC1 ZINC000103163923 555322190 /nfs/dbraw/zinc/32/21/90/555322190.db2.gz CYTFPFFPKNWNNY-UHFFFAOYSA-N 0 0 539.695 2.748 50 0 KFAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000103164597 555322331 /nfs/dbraw/zinc/32/23/31/555322331.db2.gz AUQBTAHHOACYJS-UHFFFAOYSA-N 0 0 537.629 2.896 50 0 KFAARN O=C(N[C@H](C(=O)N1CCOCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000103166319 555322904 /nfs/dbraw/zinc/32/29/04/555322904.db2.gz AWXPDCKEBUFGIL-QHCPKHFHSA-N 0 0 547.530 2.944 50 0 KFAARN O=C(N[C@@H](C(=O)N1CCOCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000103166321 555322915 /nfs/dbraw/zinc/32/29/15/555322915.db2.gz AWXPDCKEBUFGIL-HSZRJFAPSA-N 0 0 547.530 2.944 50 0 KFAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000103166614 555323049 /nfs/dbraw/zinc/32/30/49/555323049.db2.gz VQYXUUCNKQENTB-VWLOTQADSA-N 0 0 536.629 2.918 50 0 KFAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000103166617 555323054 /nfs/dbraw/zinc/32/30/54/555323054.db2.gz VQYXUUCNKQENTB-RUZDIDTESA-N 0 0 536.629 2.918 50 0 KFAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000103167333 555323559 /nfs/dbraw/zinc/32/35/59/555323559.db2.gz LDNOHTNNIGXQAO-KRWDZBQOSA-N 0 0 563.620 2.682 50 0 KFAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000103167336 555323493 /nfs/dbraw/zinc/32/34/93/555323493.db2.gz LDNOHTNNIGXQAO-QGZVFWFLSA-N 0 0 563.620 2.682 50 0 KFAARN CS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000103169046 555324002 /nfs/dbraw/zinc/32/40/02/555324002.db2.gz JNWNFWAKEBSWTH-UHFFFAOYSA-N 0 0 562.645 2.731 50 0 KFAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000103170417 555324578 /nfs/dbraw/zinc/32/45/78/555324578.db2.gz QBYQVXVWXJFJHK-UHFFFAOYSA-N 0 0 563.692 2.695 50 0 KFAARN CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)CC1 ZINC000103173801 555326508 /nfs/dbraw/zinc/32/65/08/555326508.db2.gz RMYUFFCDAIAONN-UHFFFAOYSA-N 0 0 590.555 2.894 50 0 KFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1 ZINC000103175511 555326915 /nfs/dbraw/zinc/32/69/15/555326915.db2.gz VCLKRXPQBCNNBH-GOSISDBHSA-N 0 0 530.503 2.877 50 0 KFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1 ZINC000103175514 555326936 /nfs/dbraw/zinc/32/69/36/555326936.db2.gz VCLKRXPQBCNNBH-SFHVURJKSA-N 0 0 530.503 2.877 50 0 KFAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000103184199 555330335 /nfs/dbraw/zinc/33/03/35/555330335.db2.gz TXRTXKVDWFCMRT-SFHVURJKSA-N 0 0 563.620 2.682 50 0 KFAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000103184202 555330342 /nfs/dbraw/zinc/33/03/42/555330342.db2.gz TXRTXKVDWFCMRT-GOSISDBHSA-N 0 0 563.620 2.682 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N4CCc5cc(OC)c(OC)cc5C4)ccc3OC)CC2)cc1 ZINC000103196386 555334878 /nfs/dbraw/zinc/33/48/78/555334878.db2.gz PWPFJRUVXHJVSK-UHFFFAOYSA-N 0 0 617.746 2.979 50 0 KFAARN COC(=O)CCC(=O)N1CCN(c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2OC)CC1 ZINC000103197860 555335738 /nfs/dbraw/zinc/33/57/38/555335738.db2.gz SJFURBKONHFMOB-UHFFFAOYSA-N 0 0 543.686 2.940 50 0 KFAARN COc1cccc(S(=O)(=O)N2CCN(c3ncccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000103200648 555337218 /nfs/dbraw/zinc/33/72/18/555337218.db2.gz JHYIEQIIKDEPJE-UHFFFAOYSA-N 0 0 540.642 2.591 50 0 KFAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ncccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000103200700 555337232 /nfs/dbraw/zinc/33/72/32/555337232.db2.gz LKYVAEWJDACEON-UHFFFAOYSA-N 0 0 570.668 2.599 50 0 KFAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)S(=O)(=O)c4ccc(C)cc4)CC3)nn2)c1 ZINC000103201240 555337562 /nfs/dbraw/zinc/33/75/62/555337562.db2.gz OFMKBIQKVXZYIE-VWLOTQADSA-N 0 0 565.696 2.979 50 0 KFAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)S(=O)(=O)c4ccc(C)cc4)CC3)nn2)c1 ZINC000103201243 555337501 /nfs/dbraw/zinc/33/75/01/555337501.db2.gz OFMKBIQKVXZYIE-RUZDIDTESA-N 0 0 565.696 2.979 50 0 KFAARN CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000103201967 555337488 /nfs/dbraw/zinc/33/74/88/555337488.db2.gz MKYLAADZROBZAW-UHFFFAOYSA-N 0 0 539.658 2.829 50 0 KFAARN COCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103202010 555337890 /nfs/dbraw/zinc/33/78/90/555337890.db2.gz HXMFEAODALRQMY-UHFFFAOYSA-N 0 0 560.076 2.792 50 0 KFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc(CN4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)c(C)c1 ZINC000103208187 555339406 /nfs/dbraw/zinc/33/94/06/555339406.db2.gz WPAPUWKCRMJVRX-UHFFFAOYSA-N 0 0 554.692 2.667 50 0 KFAARN COc1cccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)NCCc4ccc(F)cc4)ccc3OC)CC2)c1 ZINC000103229192 555341764 /nfs/dbraw/zinc/34/17/64/555341764.db2.gz GMACXFCCBXJJJQ-UHFFFAOYSA-N 0 0 563.673 2.875 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000103242998 555343189 /nfs/dbraw/zinc/34/31/89/555343189.db2.gz UVVICFHFIXEHKO-UHFFFAOYSA-N 0 0 587.720 2.970 50 0 KFAARN COCC(=O)N(CCN1CCOCC1)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(OC)c(OC)c1 ZINC000103252805 555344549 /nfs/dbraw/zinc/34/45/49/555344549.db2.gz VMMXVUJXAGBLHH-UHFFFAOYSA-N 0 0 572.062 2.956 50 0 KFAARN COc1ccc(-c2nc(N3CCN(CCN4CCOCC4)CC3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000103252877 555344704 /nfs/dbraw/zinc/34/47/04/555344704.db2.gz FQCPESOIXXHHIQ-UHFFFAOYSA-N 0 0 544.660 2.536 50 0 KFAARN C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000103253202 562820518 /nfs/dbraw/zinc/82/05/18/562820518.db2.gz NHTKGYOMICWFQZ-LHFSRKHSSA-N 0 0 580.481 2.644 50 0 KFAARN C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000103253204 562820522 /nfs/dbraw/zinc/82/05/22/562820522.db2.gz NHTKGYOMICWFQZ-BBOXMAMFSA-N 0 0 580.481 2.644 50 0 KFAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc2c(c1)OCO2 ZINC000103257847 555346278 /nfs/dbraw/zinc/34/62/78/555346278.db2.gz WTKHTMQKBJNYTQ-VWLOTQADSA-N 0 0 581.670 2.864 50 0 KFAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000103257851 555346303 /nfs/dbraw/zinc/34/63/03/555346303.db2.gz WTKHTMQKBJNYTQ-RUZDIDTESA-N 0 0 581.670 2.864 50 0 KFAARN Cc1ccccc1NC(=O)COC(=O)CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3C)cc2C1=O ZINC000103258507 555346298 /nfs/dbraw/zinc/34/62/98/555346298.db2.gz PKZXTAOIRJXSMR-UHFFFAOYSA-N 0 0 543.532 2.877 50 0 KFAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000103267242 555347382 /nfs/dbraw/zinc/34/73/82/555347382.db2.gz SCCNPZFBQDEWSX-UHFFFAOYSA-N 0 0 549.075 2.920 50 0 KFAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103268526 555348000 /nfs/dbraw/zinc/34/80/00/555348000.db2.gz XVASZDHSSTUYJF-AREMUKBSSA-N 0 0 552.628 2.684 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571424785 /nfs/dbraw/zinc/42/47/85/571424785.db2.gz PLUXUZYPGNLTEV-QFIPXVFZSA-N 0 0 532.597 2.986 50 0 biogenic KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449945 571424966 /nfs/dbraw/zinc/42/49/66/571424966.db2.gz ORTSQKLOQYRGEO-DEOSSOPVSA-N 0 0 582.698 2.504 50 0 biogenic KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450390 571425152 /nfs/dbraw/zinc/42/51/52/571425152.db2.gz KNXPTOVGMVAPBH-VWLOTQADSA-N 0 0 596.725 2.894 50 0 biogenic KFAARN CCOC(=O)N1CCN(C(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1 ZINC000108450823 571425439 /nfs/dbraw/zinc/42/54/39/571425439.db2.gz AQLFKGIIQQCYJE-QFIPXVFZSA-N 0 0 582.654 2.576 50 0 biogenic KFAARN COc1ccccc1[C@@H](NC(=O)CNC(=O)Cn1ccc(=O)[nH]c1=O)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000108803928 571426613 /nfs/dbraw/zinc/42/66/13/571426613.db2.gz HDAUJOCFCQIWCL-MHZLTWQESA-N 0 0 578.518 2.828 50 0 KFAARN COc1ccccc1[C@H](NC(=O)CNC(=O)Cn1ccc(=O)[nH]c1=O)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000108803930 571426615 /nfs/dbraw/zinc/42/66/15/571426615.db2.gz HDAUJOCFCQIWCL-HHHXNRCGSA-N 0 0 578.518 2.828 50 0 KFAARN C[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)c3ccc(OCC(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1 ZINC000108852762 571426966 /nfs/dbraw/zinc/42/69/66/571426966.db2.gz SJSDDOOPPNKPAV-URSFVKLHSA-N 0 0 560.669 2.549 50 0 KFAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccc(C)cc3)ccc2C)cc1 ZINC000108924719 571427629 /nfs/dbraw/zinc/42/76/29/571427629.db2.gz CVOVVFDHILIZOV-URXFXBBRSA-N 0 0 559.666 2.875 50 0 KFAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(C)cc3)ccc2C)cc1 ZINC000108924721 571427612 /nfs/dbraw/zinc/42/76/12/571427612.db2.gz CVOVVFDHILIZOV-QPPBQGQZSA-N 0 0 559.666 2.875 50 0 KFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc(Br)cc4)C3=O)cc2)C[C@H](C)O1 ZINC000108978904 571427980 /nfs/dbraw/zinc/42/79/80/571427980.db2.gz 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ZINC000150495806 571517739 /nfs/dbraw/zinc/51/77/39/571517739.db2.gz VGVVQIPTYNFYMD-GWWHUTBASA-N 0 0 664.758 2.843 50 0 KFAARN CCOC(=O)C1=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000150495814 571517866 /nfs/dbraw/zinc/51/78/66/571517866.db2.gz VGVVQIPTYNFYMD-DVFLESNOSA-N 0 0 664.758 2.843 50 0 KFAARN CCOC(=O)C1=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150495952 571517981 /nfs/dbraw/zinc/51/79/81/571517981.db2.gz VGVVQIPTYNFYMD-NLXUKWATSA-N 0 0 664.758 2.843 50 0 KFAARN CCOC(=O)C1=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000150495956 571517930 /nfs/dbraw/zinc/51/79/30/571517930.db2.gz VGVVQIPTYNFYMD-IEMMCJMXSA-N 0 0 664.758 2.843 50 0 KFAARN CC(C)C[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000150497847 571518266 /nfs/dbraw/zinc/51/82/66/571518266.db2.gz VPLVCZMHOMKTLU-UIOOFZCWSA-N 0 0 652.840 2.893 50 0 KFAARN CC(C)C[C@@H](NC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000150497852 571518183 /nfs/dbraw/zinc/51/81/83/571518183.db2.gz VPLVCZMHOMKTLU-WMPKNSHKSA-N 0 0 652.840 2.893 50 0 KFAARN COc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N4CCc5cc(OC)c(OC)cc5C4)ccc3OC)CC2)cc1OC ZINC000150500938 571518625 /nfs/dbraw/zinc/51/86/25/571518625.db2.gz BRRJWXMPTXXNTC-UHFFFAOYSA-N 0 0 647.772 2.988 50 0 KFAARN O=C(COC(=O)c1cccnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000150509922 571519863 /nfs/dbraw/zinc/51/98/63/571519863.db2.gz QUSJLALIORQJPP-UHFFFAOYSA-N 0 0 788.710 2.957 50 0 KFAARN O=C(CCS(=O)(=O)CCS(=O)(=O)c1ccc(Cl)cc1)NCCCCCCNC(=O)CCS(=O)(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000150580600 571521612 /nfs/dbraw/zinc/52/16/12/571521612.db2.gz ZEJQVKKPTUTBAV-UHFFFAOYSA-N 0 0 761.790 2.644 50 0 KFAARN CS(=O)(=O)C(C1=NC(=O)c2nnc(NC(=O)Nc3ccc(Cl)cc3)n21)=c1[nH]c2nnc(NC(=O)Nc3ccc(Cl)cc3)n2c1=O ZINC000150598089 571522362 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COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653312 571525951 /nfs/dbraw/zinc/52/59/51/571525951.db2.gz QEGVMYVOHMNRJM-FKAPRUDGSA-N 0 0 672.735 2.786 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653316 571525925 /nfs/dbraw/zinc/52/59/25/571525925.db2.gz QEGVMYVOHMNRJM-VVFBEHOQSA-N 0 0 672.735 2.786 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CCN(S(C)(=O)=O)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653421 571526013 /nfs/dbraw/zinc/52/60/13/571526013.db2.gz ZNYJEVPCISJUKP-VWLOTQADSA-N 0 0 644.791 2.939 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000150656667 571527061 /nfs/dbraw/zinc/52/70/61/571527061.db2.gz KWDGKCSCJKTSJY-JNCGISBCSA-N 0 0 634.736 2.764 50 0 KFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000150656668 571527028 /nfs/dbraw/zinc/52/70/28/571527028.db2.gz KWDGKCSCJKTSJY-GRVBVBMHSA-N 0 0 634.736 2.764 50 0 KFAARN CCOC(=O)C1=C(C(=O)OCC)[C@@H]2[C@H]3C=C[C@H](C=C(C(=O)OCC)[C@H]3C(=O)OCC)[C@]2(OCC)C(C(=O)OCC)=C1C(=O)OCC ZINC000150656854 571526988 /nfs/dbraw/zinc/52/69/88/571526988.db2.gz RXNVFICWEXYGQG-YVRBMEKZSA-N 0 0 646.686 2.722 50 0 KFAARN CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O[C@@H]1n1cc(I)c(=O)[nH]c1=O ZINC000150659486 565204106 /nfs/dbraw/zinc/20/41/06/565204106.db2.gz NRUPRHFQGBCWJJ-NXYDZRKXSA-N 0 0 648.406 2.670 50 0 biogenic,in-vitro KFAARN CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(I)c(=O)[nH]c1=O ZINC000150659488 565204188 /nfs/dbraw/zinc/20/41/88/565204188.db2.gz NRUPRHFQGBCWJJ-JVNMPXIPSA-N 0 0 648.406 2.670 50 0 biogenic,in-vitro KFAARN CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(I)c(=O)[nH]c1=O ZINC000150659489 565204841 /nfs/dbraw/zinc/20/48/41/565204841.db2.gz NRUPRHFQGBCWJJ-GBEXAXCTSA-N 0 0 648.406 2.670 50 0 biogenic,in-vitro KFAARN CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OC ZINC000150662246 571527636 /nfs/dbraw/zinc/52/76/36/571527636.db2.gz MMSBQMYLDYNLJJ-OOXSWXCJSA-N 0 0 668.788 2.949 50 0 KFAARN COC(=O)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)[C@H](C)O ZINC000150662606 571527769 /nfs/dbraw/zinc/52/77/69/571527769.db2.gz XGIYRSDOWKIVMX-KVUDDLCYSA-N 0 0 720.820 2.558 50 0 KFAARN COC(=O)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)O ZINC000150662610 571527857 /nfs/dbraw/zinc/52/78/57/571527857.db2.gz XGIYRSDOWKIVMX-ARKPRPPMSA-N 0 0 720.820 2.558 50 0 KFAARN CCOC(=O)CNc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)n1 ZINC000150662694 571527767 /nfs/dbraw/zinc/52/77/67/571527767.db2.gz OXYJAFBKBDZTEF-ZLPBPMGLSA-N 0 0 642.621 2.819 50 0 KFAARN COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1)[C@H](C)O ZINC000150662991 571527982 /nfs/dbraw/zinc/52/79/82/571527982.db2.gz GHCVLHGJWDFNIU-JPEUIBHPSA-N 0 0 724.811 2.985 50 0 KFAARN COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1)[C@@H](C)O ZINC000150662994 571528019 /nfs/dbraw/zinc/52/80/19/571528019.db2.gz GHCVLHGJWDFNIU-UTXZPQIZSA-N 0 0 724.811 2.985 50 0 KFAARN COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(C)C)[C@H](C)O ZINC000150663004 571527993 /nfs/dbraw/zinc/52/79/93/571527993.db2.gz PGVJHCSNAXLBAW-ORSHIMHRSA-N 0 0 789.927 2.725 50 0 KFAARN COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(C)C)[C@@H](C)O ZINC000150663008 571528009 /nfs/dbraw/zinc/52/80/09/571528009.db2.gz PGVJHCSNAXLBAW-AAKMWWAASA-N 0 0 789.927 2.725 50 0 KFAARN CCOC(=O)c1oc2cc(OC[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 ZINC000150663458 571528151 /nfs/dbraw/zinc/52/81/51/571528151.db2.gz PVMPTMQZVPQGRW-GZIVLBRZSA-N 0 0 661.638 2.598 50 0 KFAARN NC(=O)CN(c1ccccc1)[C@H]1SC(=O)N(Cc2ccc(CN3C(=O)S[C@H](N(CC(N)=O)c4ccccc4)C3=O)cc2)C1=O ZINC000150663671 571528325 /nfs/dbraw/zinc/52/83/25/571528325.db2.gz NLMOFQKGRHIHFE-NSOVKSMOSA-N 0 0 632.724 2.713 50 0 KFAARN CCOC(=O)c1oc2cc(OC[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 ZINC000150680487 571528913 /nfs/dbraw/zinc/52/89/13/571528913.db2.gz PVMPTMQZVPQGRW-XLOGNDFISA-N 0 0 661.638 2.598 50 0 KFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1 ZINC000150682873 571529017 /nfs/dbraw/zinc/52/90/17/571529017.db2.gz TVDLVOSWDQNDNZ-XDZXDJIYSA-N 0 0 819.981 2.808 50 0 KFAARN Cc1ccc(S(=O)(=O)[C@H]2NCCN[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@H](S(=O)(=O)c3ccc(C)cc3)NCCN[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150685014 571529042 /nfs/dbraw/zinc/52/90/42/571529042.db2.gz VHPGQPPILXWUFK-IHAKKMGISA-N 0 0 789.036 2.792 50 0 KFAARN COc1cc(/C=C\C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000158739769 1059747691 /nfs/dbraw/zinc/74/76/91/1059747691.db2.gz VTQKQHLKNZWHQB-YFHOEESVSA-N 0 0 698.820 2.965 50 0 KFAARN COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@@H](O)[C@H]2O[C@@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)[C@H](O)[C@@H]2O)cc1 ZINC000163740300 571542361 /nfs/dbraw/zinc/54/23/61/571542361.db2.gz LCONRKMFLXPTDC-JDWOTINSSA-N 0 0 655.708 2.746 50 0 KFAARN COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@H](O)[C@H]2O[C@@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)[C@H](O)[C@@H]2O)cc1 ZINC000163740427 571542370 /nfs/dbraw/zinc/54/23/70/571542370.db2.gz LCONRKMFLXPTDC-QGCGULMNSA-N 0 0 655.708 2.746 50 0 KFAARN 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COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCS(=O)(=O)N(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585619 572119328 /nfs/dbraw/zinc/11/93/28/572119328.db2.gz KTPKDSJOFZSMED-ZCYQVOJMSA-N 0 0 632.780 2.697 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(S(=O)(=O)C(C)C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585787 572120382 /nfs/dbraw/zinc/12/03/82/572120382.db2.gz MLSGFCDUADDMPF-VWLOTQADSA-N 0 0 644.791 2.938 50 0 KFAARN CC[C@@H](C)[C@H](NC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)OC ZINC000263585839 572120296 /nfs/dbraw/zinc/12/02/96/572120296.db2.gz NDVUUGAACUAZQE-GGYXIUMZSA-N 0 0 569.655 2.979 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCO)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585865 572120484 /nfs/dbraw/zinc/12/04/84/572120484.db2.gz NIVBKRIPTWVIJR-QFIPXVFZSA-N 0 0 541.645 2.944 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCS(=O)(=O)N3CCSCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585893 572120328 /nfs/dbraw/zinc/12/03/28/572120328.db2.gz NPGSYUIQPSITNX-AHWVRZQESA-N 0 0 708.925 2.891 50 0 KFAARN COC(=O)[C@@H](NC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000263586042 572121742 /nfs/dbraw/zinc/12/17/42/572121742.db2.gz PDHDIEMOUSDWRH-FNZWTVRRSA-N 0 0 555.628 2.589 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586131 572122200 /nfs/dbraw/zinc/12/22/00/572122200.db2.gz QNARQEBFLUQDGZ-QHCPKHFHSA-N 0 0 552.672 2.829 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586162 572122216 /nfs/dbraw/zinc/12/22/16/572122216.db2.gz QTOXLLCMRAZCSD-OPHFCASCSA-N 0 0 615.749 2.993 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586163 572122061 /nfs/dbraw/zinc/12/20/61/572122061.db2.gz QTOXLLCMRAZCSD-PBXXJUDPSA-N 0 0 615.749 2.993 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586241 572122550 /nfs/dbraw/zinc/12/25/50/572122550.db2.gz RPWXCJUFWFSJOA-SANMLTNESA-N 0 0 671.817 2.540 50 0 KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccccc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586333 572122955 /nfs/dbraw/zinc/12/29/55/572122955.db2.gz SSAKRCIAUGIXDA-GYWHWRDRSA-N 0 0 556.619 2.797 50 0 KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccccc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586334 572123014 /nfs/dbraw/zinc/12/30/14/572123014.db2.gz SSAKRCIAUGIXDA-OSDLZFKDSA-N 0 0 556.619 2.797 50 0 KFAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000263586468 572123488 /nfs/dbraw/zinc/12/34/88/572123488.db2.gz UTFUZSXWCSXTII-BDYUSTAISA-N 0 0 614.699 2.974 50 0 KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)cc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586621 572124181 /nfs/dbraw/zinc/12/41/81/572124181.db2.gz WFKHUKHQHCPQFL-OYKDXHIPSA-N 0 0 586.645 2.805 50 0 KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)cc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586622 572124409 /nfs/dbraw/zinc/12/44/09/572124409.db2.gz WFKHUKHQHCPQFL-RQSLGCGOSA-N 0 0 586.645 2.805 50 0 KFAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCn3c(CO)nc4ccccc43)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586694 572124643 /nfs/dbraw/zinc/12/46/43/572124643.db2.gz WYRKHLFFEPEXGT-QHCPKHFHSA-N 0 0 615.687 2.933 50 0 KFAARN COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586845 572125036 /nfs/dbraw/zinc/12/50/36/572125036.db2.gz YOWHUAIBMGBLGO-NRFANRHFSA-N 0 0 563.607 2.806 50 0 KFAARN COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586846 572125380 /nfs/dbraw/zinc/12/53/80/572125380.db2.gz YOWHUAIBMGBLGO-OAQYLSRUSA-N 0 0 563.607 2.806 50 0 KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586850 572125196 /nfs/dbraw/zinc/12/51/96/572125196.db2.gz YSKRTKWHDJABDN-MUQQHEDISA-N 0 0 586.645 2.805 50 0 KFAARN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586851 572125279 /nfs/dbraw/zinc/12/52/79/572125279.db2.gz YSKRTKWHDJABDN-TUSYCDLHSA-N 0 0 586.645 2.805 50 0 KFAARN Cc1c(C)[n+]([O-])c([C@H](c2ccc3c(c2)n(C)c(=O)n3C)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 ZINC000263587353 572125881 /nfs/dbraw/zinc/12/58/81/572125881.db2.gz FZYLYWYHJYSGGJ-JOCHJYFZSA-N 0 0 518.570 2.561 50 0 KFAARN Cc1c(C)[n+]([O-])c([C@@H](c2ccc3c(c2)n(C)c(=O)n3C)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 ZINC000263587354 572125902 /nfs/dbraw/zinc/12/59/02/572125902.db2.gz FZYLYWYHJYSGGJ-QFIPXVFZSA-N 0 0 518.570 2.561 50 0 KFAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(Cc3cccc4cccnc43)C2)nn1 ZINC000299780215 572136410 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572154037 /nfs/dbraw/zinc/15/40/37/572154037.db2.gz HFJBJRCXRNPLBO-SANMLTNESA-N 0 0 519.598 2.971 50 0 KFAARN CCc1cc2c3c(c1)C(CN1CCN(C(=O)[C@@H]4COc5ccccc5O4)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000334160751 572153963 /nfs/dbraw/zinc/15/39/63/572153963.db2.gz LQKCBIUQDLPWOR-DEOSSOPVSA-N 0 0 501.583 2.938 50 0 KFAARN CCc1cc2c3c(c1)C(CN1CCN(C(=O)[C@H]4COc5ccccc5O4)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000334160752 572153911 /nfs/dbraw/zinc/15/39/11/572153911.db2.gz LQKCBIUQDLPWOR-XMMPIXPASA-N 0 0 501.583 2.938 50 0 KFAARN O=C(NC(=S)Nc1ncccc1OC(=S)NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000334161175 572154273 /nfs/dbraw/zinc/15/42/73/572154273.db2.gz VNBFXTMATISIEN-UHFFFAOYSA-N 0 0 524.536 2.760 50 0 KFAARN CCOC(=O)N1CCN([C@H]2c3ccccc3C(=O)N2CCN2C(=O)c3ccccc3[C@H]2N2CCN(C(=O)OCC)CC2)CC1 ZINC000334163590 572154864 /nfs/dbraw/zinc/15/48/64/572154864.db2.gz YFUSNHBFPJDYGE-HNRBIFIRSA-N 0 0 604.708 2.844 50 0 KFAARN CCOC(=O)N1CCN([C@@H]2c3ccccc3C(=O)N2CCN2C(=O)c3ccccc3[C@H]2N2CCN(C(=O)OCC)CC2)CC1 ZINC000334163591 572155024 /nfs/dbraw/zinc/15/50/24/572155024.db2.gz YFUSNHBFPJDYGE-NSOVKSMOSA-N 0 0 604.708 2.844 50 0 KFAARN CCOC(=O)N1CCN([C@H]2c3ccccc3C(=O)N2CCN2C(=O)c3ccccc3[C@@H]2N2CCN(C(=O)OCC)CC2)CC1 ZINC000334163592 572154992 /nfs/dbraw/zinc/15/49/92/572154992.db2.gz YFUSNHBFPJDYGE-VSGBNLITSA-N 0 0 604.708 2.844 50 0 KFAARN COC(=O)Cn1c(=O)c(NC(=O)c2ccc(OC)c(OC)c2)cc2c(Nc3ccccc3C)ncnc21 ZINC000390834908 572156433 /nfs/dbraw/zinc/15/64/33/572156433.db2.gz QEILORTYQLATGJ-UHFFFAOYSA-N 0 0 503.515 2.708 50 0 KFAARN COc1cccc2c1ccn2CCNC(=O)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(C)C ZINC000409413012 1059004924 /nfs/dbraw/zinc/00/49/24/1059004924.db2.gz BXCSFDALFCFWEX-BVFVYWQFSA-N 0 0 505.619 2.781 50 0 KFAARN COc1cc2c(cc1OC)CN(C(=O)[C@H](NC(=O)N1C[C@H]3C[C@@H](C1)c1cccc(=O)n1C3)C(C)C)CC2 ZINC000409413030 1059004967 /nfs/dbraw/zinc/00/49/67/1059004967.db2.gz WOCVKXMBIPHLPV-JJHGTGHCSA-N 0 0 508.619 2.604 50 0 KFAARN 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/nfs/dbraw/zinc/49/57/06/1059495706.db2.gz YDHTXVHRYSTCGV-KWMMTJNNSA-N 0 0 717.786 2.532 50 0 KFAARN Cc1noc(C)c1CC(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952856331 1059496682 /nfs/dbraw/zinc/49/66/82/1059496682.db2.gz YRIJODVBOHBQSQ-LMSSTIIKSA-N 0 0 514.582 2.991 50 0 KFAARN CCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952856334 1059496639 /nfs/dbraw/zinc/49/66/39/1059496639.db2.gz FLSUBZWTGCRGEE-UIOOFZCWSA-N 0 0 523.630 2.648 50 0 KFAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3[nH]cnc3C)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952856335 1059496721 /nfs/dbraw/zinc/49/67/21/1059496721.db2.gz YXNTTWRZXKLKNE-UIOOFZCWSA-N 0 0 563.655 2.633 50 0 KFAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCS(=O)(=O)CC2)NC1=O ZINC000952856338 1059496584 /nfs/dbraw/zinc/49/65/84/1059496584.db2.gz FOCNAXIHCWWYIX-YPKYBTACSA-N 0 0 692.810 2.717 50 0 KFAARN 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CTIRAISPOLDIPG-AHWVRZQESA-N 0 0 553.623 2.954 50 0 KFAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCC(O)(CO)CC2)NC1=O ZINC000952856421 1059496629 /nfs/dbraw/zinc/49/66/29/1059496629.db2.gz DVPIUKWGWFNSEY-QAXCHELISA-N 0 0 656.780 2.738 50 0 KFAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)C2(c3ccccc3)CC2)CCNC1=O ZINC000952856422 1059497575 /nfs/dbraw/zinc/49/75/75/1059497575.db2.gz DWYREGWXTDZKOQ-AREMUKBSSA-N 0 0 576.673 2.873 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(-c4nnn(C)n4)cc3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952856424 1059497590 /nfs/dbraw/zinc/49/75/90/1059497590.db2.gz DYWJFQWIPUVAPM-VMPREFPWSA-N 0 0 609.687 2.990 50 0 KFAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(C(=O)N4CCOCC4)ccn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856428 1059497415 /nfs/dbraw/zinc/49/74/15/1059497415.db2.gz FHBRIKCFTKNNHW-XCZPVHLTSA-N 0 0 585.661 2.631 50 0 KFAARN 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O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2NC(=O)CCCNC(=O)c3cccc(c3)-c3cccc(c3)CO[C@H]2C1 ZINC000952857037 1059501552 /nfs/dbraw/zinc/50/15/52/1059501552.db2.gz QKASULFNVMSUII-DQEYMECFSA-N 0 0 513.598 2.615 50 0 KFAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3nonc3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952857050 1059502038 /nfs/dbraw/zinc/50/20/38/1059502038.db2.gz QPSOUXCKTZJEKR-IZZNHLLZSA-N 0 0 535.601 2.931 50 0 KFAARN Cc1nccn1CCC(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952857053 1059502174 /nfs/dbraw/zinc/50/21/74/1059502174.db2.gz NFGIRCHVHULLIB-LMSSTIIKSA-N 0 0 513.598 2.739 50 0 KFAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3nnc4n3CCCCC4)C[C@@H]1NC(=O)CN(C)C2 ZINC000952857066 1059501989 /nfs/dbraw/zinc/50/19/89/1059501989.db2.gz WLIQBMSHCROABP-OZXSUGGESA-N 0 0 560.655 2.777 50 0 KFAARN CC(C)c1nc(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C2)co1 ZINC000952857071 1059502012 /nfs/dbraw/zinc/50/20/12/1059502012.db2.gz 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/nfs/dbraw/zinc/50/22/43/1059502243.db2.gz ONBLNJBPGWQXIP-PIKZIKFNSA-N 0 0 608.765 2.680 50 0 KFAARN CC(=O)N1CCC(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)CC1 ZINC000952857161 1059502591 /nfs/dbraw/zinc/50/25/91/1059502591.db2.gz PUKRMAFOUHIUKX-URLMMPGGSA-N 0 0 576.694 2.744 50 0 KFAARN CCc1[nH]nc(C(=O)N2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)c1C ZINC000952857173 1059502861 /nfs/dbraw/zinc/50/28/61/1059502861.db2.gz IOOWTCAFAAEFIP-NSOVKSMOSA-N 0 0 620.707 2.941 50 0 KFAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3nnc4n3CCCC4)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952857200 1059502693 /nfs/dbraw/zinc/50/26/93/1059502693.db2.gz MYRVZPZFKOUCSD-BJKOFHAPSA-N 0 0 558.639 2.717 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cc[nH]c3C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857202 1059502843 /nfs/dbraw/zinc/50/28/43/1059502843.db2.gz AVDGRTVCRHLMPO-NSOVKSMOSA-N 0 0 591.665 2.983 50 0 KFAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCCNC(=O)C2)NC1=O ZINC000952857206 1059502876 /nfs/dbraw/zinc/50/28/76/1059502876.db2.gz RAJJYAOEHWTWJD-YPKYBTACSA-N 0 0 671.770 2.808 50 0 KFAARN O=C(C1CCOCC1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952857217 1059502608 /nfs/dbraw/zinc/50/26/08/1059502608.db2.gz BALNBTLXUOBHDX-VMPREFPWSA-N 0 0 579.694 2.665 50 0 KFAARN O=C(c1ncc(F)cc1F)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952857235 1059502764 /nfs/dbraw/zinc/50/27/64/1059502764.db2.gz RYLUOSGCOHLAGS-UHFFFAOYSA-N 0 0 510.545 2.558 50 0 KFAARN CN1CC(=O)N[C@H]2CN(C(=O)CCc3cnccn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952857237 1059503270 /nfs/dbraw/zinc/50/32/70/1059503270.db2.gz KCTICOIUFNAJSR-WUFINQPMSA-N 0 0 557.651 2.909 50 0 KFAARN COCC(C)(C)C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cc(ccc3OC)C(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952857266 1059503512 /nfs/dbraw/zinc/50/35/12/1059503512.db2.gz 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Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(OC(C)C)nc(N)n3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952857390 1059504266 /nfs/dbraw/zinc/50/42/66/1059504266.db2.gz XTKGVISDPGXYLR-UPVQGACJSA-N 0 0 546.628 2.923 50 0 KFAARN COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)CSC)CCCNC2=O)N(C(=O)c2cc(-c3ccc(C)o3)n[nH]2)C1 ZINC000952857398 1059504207 /nfs/dbraw/zinc/50/42/07/1059504207.db2.gz SXSBRVBWLNGDEB-DHLKQENFSA-N 0 0 652.774 2.870 50 0 KFAARN Nc1nc(CCC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)cs1 ZINC000952857399 1059504225 /nfs/dbraw/zinc/50/42/25/1059504225.db2.gz FXLKOGRVJVLYFO-NSOVKSMOSA-N 0 0 621.760 2.910 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3c[nH]c(C)n3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952857421 1059504172 /nfs/dbraw/zinc/50/41/72/1059504172.db2.gz NAPTZQAOHFBHBG-UIOOFZCWSA-N 0 0 531.613 2.831 50 0 KFAARN COc1ccc(CN2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cc1Cn1cncn1 ZINC000952857422 1059504122 /nfs/dbraw/zinc/50/41/22/1059504122.db2.gz 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/nfs/dbraw/zinc/50/53/45/1059505345.db2.gz YEZZYDYAEWIDLE-SVBPBHIXSA-N 0 0 576.654 2.636 50 0 KFAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)Cn3ccnc3C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952857595 1059505134 /nfs/dbraw/zinc/50/51/34/1059505134.db2.gz ZFYILXFZSQRFIX-SVBPBHIXSA-N 0 0 561.639 2.819 50 0 KFAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCCn3cccn3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952857604 1059505185 /nfs/dbraw/zinc/50/51/85/1059505185.db2.gz QKQFTMLOYJDLAK-IGKIAQTJSA-N 0 0 533.629 2.822 50 0 KFAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3nc4c(cnn4C)c(N)n3)C[C@@H]1NC(=O)CC2 ZINC000952857615 1059505376 /nfs/dbraw/zinc/50/53/76/1059505376.db2.gz RPZVSSNIKDTYTB-FCHUYYIVSA-N 0 0 529.601 2.973 50 0 KFAARN CCn1cnnc1CN1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952857647 1059505779 /nfs/dbraw/zinc/50/57/79/1059505779.db2.gz QMUWPWHQEMUJSX-UIOOFZCWSA-N 0 0 502.619 2.954 50 0 KFAARN O=C(Cc1cccnc1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952857653 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COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cc4c(s3)CCCCC4)C[C@@H]1NC2=O ZINC000952857687 1059505972 /nfs/dbraw/zinc/50/59/72/1059505972.db2.gz RGJRXDHVNVDOCO-REWPJTCUSA-N 0 0 537.642 2.849 50 0 KFAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1ccc(-c3ncc[nH]3)s1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952857690 1059505928 /nfs/dbraw/zinc/50/59/28/1059505928.db2.gz LIODMLRSKGGYHD-XUHJDFEOSA-N 0 0 749.895 2.770 50 0 KFAARN O=C(c1ccccc1Cl)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952857696 1059505803 /nfs/dbraw/zinc/50/58/03/1059505803.db2.gz RIJJCOAFWOJLTN-DEOSSOPVSA-N 0 0 535.048 2.644 50 0 KFAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(Cc2cnc(N3CCCC3)s2)CCNC1=O ZINC000952857710 1059506352 /nfs/dbraw/zinc/50/63/52/1059506352.db2.gz RSVKHRACVXTPHT-RUZDIDTESA-N 0 0 598.749 2.872 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3[nH]cnc3C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857722 1059506569 /nfs/dbraw/zinc/50/65/69/1059506569.db2.gz 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/nfs/dbraw/zinc/50/63/27/1059506327.db2.gz VAEGHXKNHQFHGE-LOSJGSFVSA-N 0 0 579.654 2.684 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ccon3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952857818 1059506528 /nfs/dbraw/zinc/50/65/28/1059506528.db2.gz VJOLZWMIGGPMAN-DQEYMECFSA-N 0 0 518.570 2.788 50 0 KFAARN COCCCN1CC(=O)N[C@H]2CN(Cc3cnc(N)nc3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952857830 1059506418 /nfs/dbraw/zinc/50/64/18/1059506418.db2.gz QAOYKJYNVYCBMY-RRPNLBNLSA-N 0 0 576.698 2.988 50 0 KFAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3ccccc3OC(F)(F)C(F)F)C[C@@H]1NC2=O ZINC000952857836 1059507085 /nfs/dbraw/zinc/50/70/85/1059507085.db2.gz QENXZBYOEWAWOS-AVRDEDQJSA-N 0 0 579.507 2.756 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3oc(C)nc3C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857841 1059507221 /nfs/dbraw/zinc/50/72/21/1059507221.db2.gz QNQBVBNXSNHCSY-SVBPBHIXSA-N 0 0 607.664 2.951 50 0 KFAARN Cc1nnnn1Cc1ccc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C2)cc1 ZINC000952857844 1059507282 /nfs/dbraw/zinc/50/72/82/1059507282.db2.gz QQBGYKJJBOHWNN-VMPREFPWSA-N 0 0 610.675 2.657 50 0 KFAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CN(C)Cc3cccnc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952857860 1059507155 /nfs/dbraw/zinc/50/71/55/1059507155.db2.gz WMTZMCCILIEJQV-WNJJXGMVSA-N 0 0 559.667 2.672 50 0 KFAARN CC(C)(C)c1cc(C(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)[nH]c(=O)n1 ZINC000952857867 1059507206 /nfs/dbraw/zinc/50/72/06/1059507206.db2.gz RHAGRIJTSOIJIU-UHFFFAOYSA-N 0 0 547.660 2.678 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cscn3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857877 1059507273 /nfs/dbraw/zinc/50/72/73/1059507273.db2.gz ROTFDSWKIZQBKS-AHWVRZQESA-N 0 0 595.678 2.803 50 0 KFAARN O=C(c1ccc2c(c1)OCO2)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952857886 1059507290 /nfs/dbraw/zinc/50/72/90/1059507290.db2.gz RTXBUNUWFRDHEI-UHFFFAOYSA-N 0 0 517.586 2.613 50 0 KFAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc(-c4ccccc4)nn3C)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952857889 1059507235 /nfs/dbraw/zinc/50/72/35/1059507235.db2.gz ZULKMIXZOMBZBR-OYWDQQGISA-N 0 0 777.923 2.937 50 0 KFAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C[C@@H]1NC2=O ZINC000952857919 1059507590 /nfs/dbraw/zinc/50/75/90/1059507590.db2.gz YMZJFBFRVVUKAP-OZXSUGGESA-N 0 0 530.585 2.617 50 0 KFAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3c[nH]cn3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952857982 1059507700 /nfs/dbraw/zinc/50/77/00/1059507700.db2.gz YQOCZJXVBOIPEN-IGKIAQTJSA-N 0 0 559.623 2.674 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCn3c(C)cccc3=O)C[C@@H]1OCc1cccc(c1)O2 ZINC000952858037 1059507804 /nfs/dbraw/zinc/50/78/04/1059507804.db2.gz ZVIFQADPAXPROX-KYJUHHDHSA-N 0 0 647.729 2.593 50 0 KFAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952858040 1059507736 /nfs/dbraw/zinc/50/77/36/1059507736.db2.gz ZZQPGSVEIADYLF-GASGPIRDSA-N 0 0 703.862 2.598 50 0 KFAARN CN(C)C(=O)N1CCC(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)CC1 ZINC000952858156 1059507660 /nfs/dbraw/zinc/50/76/60/1059507660.db2.gz VNHQVYXHKCAFAC-URLMMPGGSA-N 0 0 605.736 2.879 50 0 KFAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCc1ccccn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952858162 1059507758 /nfs/dbraw/zinc/50/77/58/1059507758.db2.gz VSTKFQLAXAYBML-LJAQVGFWSA-N 0 0 625.730 2.626 50 0 KFAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(N)nc(SC)n3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952858167 1059508535 /nfs/dbraw/zinc/50/85/35/1059508535.db2.gz VXAARAQOFWHCOG-REWPJTCUSA-N 0 0 536.658 2.917 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cnn4cccnc34)C[C@@H]1OCc1cccc(c1)O2 ZINC000952858184 1059508434 /nfs/dbraw/zinc/50/84/34/1059508434.db2.gz WXWPPULNMWPCGA-VMPREFPWSA-N 0 0 615.691 2.749 50 0 KFAARN 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O=C(CCc1cccnc1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952859217 1059509604 /nfs/dbraw/zinc/50/96/04/1059509604.db2.gz OJLYEAIRJYNVQH-UHFFFAOYSA-N 0 0 502.619 2.599 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)C3CCC3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952859222 1059509762 /nfs/dbraw/zinc/50/97/62/1059509762.db2.gz OOSDCOYIAKSHRI-SVBPBHIXSA-N 0 0 566.655 2.833 50 0 KFAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C[C@@H]1NC2=O ZINC000952859268 1059509648 /nfs/dbraw/zinc/50/96/48/1059509648.db2.gz QLRNRFLDJBCIDD-DHLKQENFSA-N 0 0 552.031 2.980 50 0 KFAARN CC(C)c1ccc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)c(=O)[nH]1 ZINC000952859340 1059509728 /nfs/dbraw/zinc/50/97/28/1059509728.db2.gz RFFIDUZZIRVQIN-GMAHTHKFSA-N 0 0 541.008 2.778 50 0 KFAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cccn4cnnc34)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952859356 1059509744 /nfs/dbraw/zinc/50/97/44/1059509744.db2.gz RWXFVNZYTUBAKQ-WNJJXGMVSA-N 0 0 610.671 2.993 50 0 KFAARN CN1CC(=O)N[C@H]2CN(C(=O)c3cn[nH]c3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952859359 1059509663 /nfs/dbraw/zinc/50/96/63/1059509663.db2.gz SGGVVCTWHPUBTJ-LOSJGSFVSA-N 0 0 517.586 2.523 50 0 KFAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc3c(c2)CCC3)CCNC1=O ZINC000952859370 1059510217 /nfs/dbraw/zinc/51/02/17/1059510217.db2.gz TXHNWBCTMWYCII-HHHXNRCGSA-N 0 0 576.673 2.944 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]1OCc1cccc(c1)O2 ZINC000952859371 1059510197 /nfs/dbraw/zinc/51/01/97/1059510197.db2.gz UAKKMNZFANLAKJ-NSOVKSMOSA-N 0 0 618.691 2.558 50 0 KFAARN CCc1nccn1CC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952859390 1059510077 /nfs/dbraw/zinc/51/00/77/1059510077.db2.gz VFQGCAGNKWHYPY-VMPREFPWSA-N 0 0 603.720 2.698 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)CSC)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952859398 1059510033 /nfs/dbraw/zinc/51/00/33/1059510033.db2.gz 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1059510633 /nfs/dbraw/zinc/51/06/33/1059510633.db2.gz BDIUTZYQLKIPLI-XCSRUNNASA-N 0 0 708.860 2.745 50 0 KFAARN O=C1N[C@H]2CN(C(=O)c3cccc4c3CCC4=O)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952861477 1059510880 /nfs/dbraw/zinc/51/08/80/1059510880.db2.gz BDLXASUJAPMZBH-DHLKQENFSA-N 0 0 535.988 2.683 50 0 KFAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3nnc4nc(C)cc(C)n43)CC[C@H]1OCc1cccc(c1)O2 ZINC000952861506 1059510840 /nfs/dbraw/zinc/51/08/40/1059510840.db2.gz CANSCIUHYMGOJS-RRPNLBNLSA-N 0 0 613.675 2.934 50 0 KFAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)CCO)NC1=O ZINC000952861520 1059510859 /nfs/dbraw/zinc/51/08/59/1059510859.db2.gz ABTLWADPYSRJQW-JBOQNHBVSA-N 0 0 632.733 2.911 50 0 KFAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCCn3cncn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952861522 1059510657 /nfs/dbraw/zinc/51/06/57/1059510657.db2.gz CGTCFSNEYPUYGL-LOSJGSFVSA-N 0 0 546.628 2.547 50 0 KFAARN CN1CCNC(=O)C[C@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952861524 1059510615 /nfs/dbraw/zinc/51/06/15/1059510615.db2.gz ADEYUVWTMLDZGE-HFZDXXHNSA-N 0 0 606.127 2.635 50 0 KFAARN CC(C)=CCC/C(C)=C/CN1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 ZINC000952861552 1059510751 /nfs/dbraw/zinc/51/07/51/1059510751.db2.gz AQFXHBASXSBJMY-IQWRVINYSA-N 0 0 561.731 2.621 50 0 KFAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCCN3CCOCC3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952861567 1059510713 /nfs/dbraw/zinc/51/07/13/1059510713.db2.gz AWUULYBACAZQJZ-VMPREFPWSA-N 0 0 594.709 2.726 50 0 KFAARN Cc1cnn(C)c1C[NH+]1CCC2(Cc3cccc(c3)Oc3ccc(cc3)C[C@@H](C(=O)[O-])NC(=O)CCNC2=O)CC1 ZINC000952861575 1059510677 /nfs/dbraw/zinc/51/06/77/1059510677.db2.gz DKEUFXAXLQBBFA-SANMLTNESA-N 0 0 559.667 2.978 50 0 KFAARN COCC1(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)CCC1 ZINC000952861577 1059511288 /nfs/dbraw/zinc/51/12/88/1059511288.db2.gz DKVNCPGIPHGTJO-ABYGYWHVSA-N 0 0 503.599 2.960 50 0 KFAARN CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O ZINC000952861609 1059511309 /nfs/dbraw/zinc/51/13/09/1059511309.db2.gz CHYDRHXLQVPZFN-DEOSSOPVSA-N 0 0 511.644 2.727 50 0 KFAARN COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1ccccn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952861615 1059511330 /nfs/dbraw/zinc/51/13/30/1059511330.db2.gz FVXYJPJQQOGUAI-NDEPHWFRSA-N 0 0 583.693 2.666 50 0 KFAARN Cc1nn(CC(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c(C)c1C ZINC000952861623 1059511211 /nfs/dbraw/zinc/51/12/11/1059511211.db2.gz CQADXSPUDBJGNX-BDYUSTAISA-N 0 0 545.640 2.907 50 0 KFAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3ccnn3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952861625 1059511231 /nfs/dbraw/zinc/51/12/31/1059511231.db2.gz CRFVTKXGUNMIPY-RRPNLBNLSA-N 0 0 533.629 2.973 50 0 KFAARN Cc1cc(C)cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1 ZINC000952861637 1059511393 /nfs/dbraw/zinc/51/13/93/1059511393.db2.gz DAYLVGIONAQQDP-SANMLTNESA-N 0 0 528.657 2.607 50 0 KFAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CCNC1=O ZINC000952861638 1059511170 /nfs/dbraw/zinc/51/11/70/1059511170.db2.gz GGFVUZDDHHOLSF-HHHXNRCGSA-N 0 0 619.698 2.582 50 0 KFAARN O=C(CCCn1cccn1)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952861646 1059511192 /nfs/dbraw/zinc/51/11/92/1059511192.db2.gz GLBGZNQJMNKPAO-LMSSTIIKSA-N 0 0 513.598 2.820 50 0 KFAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc3sccc3[nH]1)CCCNC(=O)CC2 ZINC000952861648 1059511140 /nfs/dbraw/zinc/51/11/40/1059511140.db2.gz DDRIXHANGFRXKC-FQEVSTJZSA-N 0 0 597.738 2.955 50 0 KFAARN CC(C)=CCN1CCNC(=O)[C@@H](CC(C)C)NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC1 ZINC000952861651 1059511679 /nfs/dbraw/zinc/51/16/79/1059511679.db2.gz DFPCBAJOBWEUIN-HSZRJFAPSA-N 0 0 500.619 2.581 50 0 KFAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2cn3cc(Cl)ccc3n2)CCNC1=O ZINC000952861684 1059511941 /nfs/dbraw/zinc/51/19/41/1059511941.db2.gz FFXGJIUDYJIIFM-HSZRJFAPSA-N 0 0 611.078 2.757 50 0 KFAARN CCc1nn(C)c(Cl)c1CN1C[C@@H]2NC(=O)CN(CCOC)C(=O)c3cncc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952861686 1059511985 /nfs/dbraw/zinc/51/19/85/1059511985.db2.gz FIKUQNAECNNOAK-UIOOFZCWSA-N 0 0 583.089 2.811 50 0 KFAARN CN1CCCOc2cccc(c2)[C@@H]2N(S(=O)(=O)N3CCCCC3)CC[C@@]23c2ccccc2N(CC1=O)C3=O ZINC000952861697 1059511898 /nfs/dbraw/zinc/51/18/98/1059511898.db2.gz FNZIGTJLVBXZLJ-XTEPFMGCSA-N 0 0 538.670 2.690 50 0 KFAARN O=C(c1noc2c1CCCC2)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952861737 1059511962 /nfs/dbraw/zinc/51/19/62/1059511962.db2.gz AABXOYOATHCSJA-UHFFFAOYSA-N 0 0 518.618 2.751 50 0 KFAARN O=C(CCN1CCCCCC1=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952861775 1059511878 /nfs/dbraw/zinc/51/18/78/1059511878.db2.gz AUTAQTQYBMXLNO-IGYGKHONSA-N 0 0 544.652 2.936 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952861784 1059511920 /nfs/dbraw/zinc/51/19/20/1059511920.db2.gz AXLMWQLGHFZZQW-ZEQRLZLVSA-N 0 0 524.618 2.625 50 0 KFAARN Cc1cc(C)n(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n1 ZINC000952861790 1059511859 /nfs/dbraw/zinc/51/18/59/1059511859.db2.gz HAMNHSXXGKBNRD-IZZNHLLZSA-N 0 0 545.640 2.989 50 0 KFAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CSc1ccccc1)CCCNC(=O)CC2 ZINC000952861796 1059512618 /nfs/dbraw/zinc/51/26/18/1059512618.db2.gz HDVRROSVCLCJOB-QHCPKHFHSA-N 0 0 598.766 2.891 50 0 KFAARN CCc1cccc2c(C(C)=O)cn(CC(=O)N3CCCCN(C)C(=O)[C@H](C)NC(=O)COc4cc(O)cc(c4)C(=O)NCCC3)c21 ZINC000952861816 1059512475 /nfs/dbraw/zinc/51/24/75/1059512475.db2.gz HSSBKMRVEKHGJB-QFIPXVFZSA-N 0 0 633.746 2.896 50 0 KFAARN Cc1cc(C)c(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C2)c(-n2cccn2)c1 ZINC000952861830 1059512397 /nfs/dbraw/zinc/51/23/97/1059512397.db2.gz BYWDOJMBVQJHQY-NSGJQZOKSA-N 0 0 629.806 2.526 50 0 KFAARN 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/nfs/dbraw/zinc/51/24/37/1059512437.db2.gz ISIQGFBFNKTJQO-BDYUSTAISA-N 0 0 572.666 2.514 50 0 KFAARN COCC1(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)CCC1 ZINC000952861914 1059512415 /nfs/dbraw/zinc/51/24/15/1059512415.db2.gz DBFYFMYBPRVVFD-UIOOFZCWSA-N 0 0 595.693 2.745 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(Cc3cc(OC)c(OC)c(OC)c3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952861919 1059513025 /nfs/dbraw/zinc/51/30/25/1059513025.db2.gz DCPJVPAKUHFIRQ-WNJJXGMVSA-N 0 0 606.676 2.888 50 0 KFAARN Cc1ccccc1-c1cccc(C(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)c1 ZINC000952861925 1059513111 /nfs/dbraw/zinc/51/31/11/1059513111.db2.gz IYPRGHCWNOAENK-IOWSJCHKSA-N 0 0 619.726 2.744 50 0 KFAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)NC1=O ZINC000952861940 1059513221 /nfs/dbraw/zinc/51/32/21/1059513221.db2.gz GWRRPFXPWVEXEN-SQTIVPMCSA-N 0 0 682.818 2.982 50 0 KFAARN 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CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc4ccccc43)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952862058 1059513671 /nfs/dbraw/zinc/51/36/71/1059513671.db2.gz LFYAKWGIWFIZSM-PCKFZTQRSA-N 0 0 714.889 2.684 50 0 KFAARN CCc1cnc(N2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)nc1 ZINC000952862060 1059513621 /nfs/dbraw/zinc/51/36/21/1059513621.db2.gz LGHMWXTYCNLRLM-UIOOFZCWSA-N 0 0 575.666 2.958 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(c3ncccn3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952862065 1059513720 /nfs/dbraw/zinc/51/37/20/1059513720.db2.gz JDBFSIWTFQJLMZ-IGKIAQTJSA-N 0 0 561.639 2.589 50 0 KFAARN O=C1N[C@H]2CN(C(=O)Nc3ccc4c(c3)OCO4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952862074 1059513734 /nfs/dbraw/zinc/51/37/34/1059513734.db2.gz JQORZZYDTVSXHH-CVDCTZTESA-N 0 0 540.964 2.674 50 0 KFAARN Cc1ccc(N2C[C@@H]3NC(=O)CCNC(=O)CCc4ccc(cc4)Oc4cccc(c4)CO[C@H]3C2)nn1 ZINC000952862079 1059513706 /nfs/dbraw/zinc/51/37/06/1059513706.db2.gz JYLFHKRIDRZFMQ-DQEYMECFSA-N 0 0 501.587 2.920 50 0 KFAARN C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(C(=O)CCc2nc3ccccc3s2)CCCCN(C)C1=O ZINC000952862081 1059513687 /nfs/dbraw/zinc/51/36/87/1059513687.db2.gz KAJUTPKUHUSUQR-FQEVSTJZSA-N 0 0 595.722 2.719 50 0 KFAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3c(C)cnn3C)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952862090 1059513789 /nfs/dbraw/zinc/51/37/89/1059513789.db2.gz KSSFVYFALIZPNZ-BDYUSTAISA-N 0 0 577.682 2.644 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(Cc3nc(C)cs3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952862095 1059514345 /nfs/dbraw/zinc/51/43/45/1059514345.db2.gz KXYQTAGSTGWOEU-ZEQRLZLVSA-N 0 0 537.642 2.627 50 0 KFAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1ccc(C)c(F)c1F)CCCNC(=O)CC2 ZINC000952862108 1059514288 /nfs/dbraw/zinc/51/42/88/1059514288.db2.gz LINFZIJXUNWLMC-NRFANRHFSA-N 0 0 602.679 2.999 50 0 KFAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CSc3nncn3C)C[C@@H]1NC(=O)CC2 ZINC000952862131 1059514481 /nfs/dbraw/zinc/51/44/81/1059514481.db2.gz FZIRAUHLVXSNFF-FCHUYYIVSA-N 0 0 537.642 2.957 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(Cc3ncc(C)c(OC)c3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952862174 1059514423 /nfs/dbraw/zinc/51/44/23/1059514423.db2.gz MHYXLQUBDQMEIW-NSOVKSMOSA-N 0 0 575.666 2.882 50 0 KFAARN Cn1nccc1C(=O)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952862219 1059514402 /nfs/dbraw/zinc/51/44/02/1059514402.db2.gz HJFFNQGVTWWCQG-LSYYVWMOSA-N 0 0 509.570 2.866 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(C(=O)CCSC)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952862231 1059514461 /nfs/dbraw/zinc/51/44/61/1059514461.db2.gz NAMFEVDIRYWMNM-IGKIAQTJSA-N 0 0 585.723 2.874 50 0 KFAARN CCn1nccc1S(=O)(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952862243 1059514879 /nfs/dbraw/zinc/51/48/79/1059514879.db2.gz NJFMVBRHEBLMLC-UIOOFZCWSA-N 0 0 551.669 2.748 50 0 KFAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C(C)(C)N3CCOCC3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952862244 1059514724 /nfs/dbraw/zinc/51/47/24/1059514724.db2.gz HPZWIGHJUZLYNN-FIBWVYCGSA-N 0 0 620.747 2.748 50 0 KFAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952862275 1059514792 /nfs/dbraw/zinc/51/47/92/1059514792.db2.gz NURMPOWPJVUJOV-XCSRUNNASA-N 0 0 708.860 2.745 50 0 KFAARN CSCc1ccc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(c(Cl)c3)OCCCn3cc(nn3)CC2)o1 ZINC000952862277 1059514902 /nfs/dbraw/zinc/51/49/02/1059514902.db2.gz NWAQHLAMNAQPFH-FCTLNWHPSA-N 0 0 718.277 2.681 50 0 KFAARN Cc1nc(C)c(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C(C)C)NC(=O)Cc3cccc(c3)OCCn3cc(nn3)CC2)s1 ZINC000952862312 1059514862 /nfs/dbraw/zinc/51/48/62/1059514862.db2.gz IFSXFEUZWWJDAH-XDFJSJKPSA-N 0 0 700.866 2.656 50 0 KFAARN O=C(CCCn1ccnc1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952862317 1059514923 /nfs/dbraw/zinc/51/49/23/1059514923.db2.gz NYLZQMGFEZMESZ-KYJUHHDHSA-N 0 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O=C(CCCN1CCCCC1=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952862831 1059517796 /nfs/dbraw/zinc/51/77/96/1059517796.db2.gz LZYXKOOKYLLNBV-IGYGKHONSA-N 0 0 544.652 2.936 50 0 KFAARN CCOCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3ccc(cc3OC)CCC(=O)N(CCCOC)CC(=O)N[C@H]2C1 ZINC000952862839 1059517692 /nfs/dbraw/zinc/51/76/92/1059517692.db2.gz FJEKXTITDUXWBG-RRPNLBNLSA-N 0 0 597.709 2.938 50 0 KFAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)CCC2CCC2)CCNC1=O ZINC000952862850 1059518231 /nfs/dbraw/zinc/51/82/31/1059518231.db2.gz RKJRFMHCVWBLKU-XMMPIXPASA-N 0 0 542.656 2.722 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(C(=O)Cc3c(C)noc3C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952862860 1059518164 /nfs/dbraw/zinc/51/81/64/1059518164.db2.gz MMGYCXZSVKQIAD-FIBWVYCGSA-N 0 0 620.703 2.968 50 0 KFAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(c3ccnc(N)n3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952862876 1059518189 /nfs/dbraw/zinc/51/81/89/1059518189.db2.gz RUISXCMOLJWJCO-OZXSUGGESA-N 0 0 558.639 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QKOLJOVUGBRKNW-HXUWFJFHSA-N 0 0 526.943 2.849 50 0 KFAARN CCn1c(C)ccc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)c1=O ZINC000952863037 1059519608 /nfs/dbraw/zinc/51/96/08/1059519608.db2.gz QVSZTMHIADRTQW-NSOVKSMOSA-N 0 0 632.714 2.732 50 0 KFAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3cncn3C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952863061 1059519433 /nfs/dbraw/zinc/51/94/33/1059519433.db2.gz RQFAOFYPCTTXAV-AHWVRZQESA-N 0 0 547.612 2.661 50 0 KFAARN Cc1c(Cl)c(C(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)nn1C ZINC000952863063 1059519627 /nfs/dbraw/zinc/51/96/27/1059519627.db2.gz RRISCMNKKHUQGS-UHFFFAOYSA-N 0 0 526.041 2.580 50 0 KFAARN CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)C3CCOCC3)CC[C@@]23c2ccccc2N(CC1=O)C3=O ZINC000952863064 1059519470 /nfs/dbraw/zinc/51/94/70/1059519470.db2.gz DWWRTGHDMDQNFR-LITSAYRRSA-N 0 0 503.599 2.912 50 0 KFAARN Cc1oc2c(c1C(=O)N1C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C1)C(=O)CCC2 ZINC000952863065 1059519451 /nfs/dbraw/zinc/51/94/51/1059519451.db2.gz DYAPIQMBRSMSSF-CVDCTZTESA-N 0 0 554.003 2.974 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863067 1059519586 /nfs/dbraw/zinc/51/95/86/1059519586.db2.gz RVODSWIEACWEEM-UIOOFZCWSA-N 0 0 544.612 2.534 50 0 KFAARN Cc1cnn(C)c1CN1C[C@@H]2NC(=O)CCNC(=O)CCc3ccc(cc3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952863089 1059519376 /nfs/dbraw/zinc/51/93/76/1059519376.db2.gz FOOMAOPRQPEIDP-BDYUSTAISA-N 0 0 517.630 2.859 50 0 KFAARN CCc1nccc(CN2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)n1 ZINC000952863110 1059519487 /nfs/dbraw/zinc/51/94/87/1059519487.db2.gz FNVTYRCEPJSFBF-SVBPBHIXSA-N 0 0 589.693 2.954 50 0 KFAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)c2csc3c2CCCC3)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952863116 1059519550 /nfs/dbraw/zinc/51/95/50/1059519550.db2.gz FVHWRQJAKWGKPF-ANZMCEIWSA-N 0 0 682.847 2.982 50 0 KFAARN CNc1ncc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)cn1 ZINC000952863124 1059519567 /nfs/dbraw/zinc/51/95/67/1059519567.db2.gz FROCRJZFKPQIIY-ABYGYWHVSA-N 0 0 536.596 2.964 50 0 KFAARN Cc1ccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1Cl ZINC000952863139 1059520131 /nfs/dbraw/zinc/52/01/31/1059520131.db2.gz FZMYCGKHCGKONC-VWLOTQADSA-N 0 0 549.075 2.952 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(CSC)o3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863142 1059520047 /nfs/dbraw/zinc/52/00/47/1059520047.db2.gz FZQLJKAOCSIDSS-AHWVRZQESA-N 0 0 580.663 2.958 50 0 KFAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)Cc1c(C)nc3ccccn31)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863153 1059520153 /nfs/dbraw/zinc/52/01/53/1059520153.db2.gz GHEYXBCGCLABIL-LJAQVGFWSA-N 0 0 664.767 2.797 50 0 KFAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc(CC(C)C)on3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952863156 1059520211 /nfs/dbraw/zinc/52/02/11/1059520211.db2.gz GBFZZRDCYXODBY-SSFQEFBSSA-N 0 0 744.890 2.723 50 0 KFAARN Cc1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C2)no1 ZINC000952863157 1059520073 /nfs/dbraw/zinc/52/00/73/1059520073.db2.gz UCLVDRMVKWNSHK-ZEQRLZLVSA-N 0 0 519.558 2.610 50 0 KFAARN CN1CC(=O)N[C@H]2CN(C(=O)c3[nH]nc(N)c3Cl)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952863175 1059520097 /nfs/dbraw/zinc/52/00/97/1059520097.db2.gz CBAGMZLMUVKJPX-FCHUYYIVSA-N 0 0 567.046 2.758 50 0 KFAARN CNc1cc(C(=O)N2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)ccn1 ZINC000952863204 1059520112 /nfs/dbraw/zinc/52/01/12/1059520112.db2.gz SXPZYXPJKKIADR-NSOVKSMOSA-N 0 0 618.691 2.783 50 0 KFAARN O=C(c1ccc(Cl)cc1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863206 1059520229 /nfs/dbraw/zinc/52/02/29/1059520229.db2.gz UWGGZDILCBPTEG-DEOSSOPVSA-N 0 0 535.048 2.644 50 0 KFAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2ccc(F)c(F)c2)CCNC1=O ZINC000952863213 1059520250 /nfs/dbraw/zinc/52/02/50/1059520250.db2.gz HAGKTRUQEFKKKO-LEFTWQHSSA-N 0 0 704.175 2.504 50 0 KFAARN CCOc1ccc2c(C)c(C(=O)N3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)oc2c1OCC ZINC000952863218 1059520908 /nfs/dbraw/zinc/52/09/08/1059520908.db2.gz HDWILVIUWOZYDD-RRPNLBNLSA-N 0 0 671.755 2.621 50 0 KFAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1ccc(-n3ccnc3)cc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952863221 1059520808 /nfs/dbraw/zinc/52/08/08/1059520808.db2.gz CQFBJZFXRVHXKW-BBKBELTISA-N 0 0 743.866 2.504 50 0 KFAARN O=C(c1cnccn1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863245 1059520885 /nfs/dbraw/zinc/52/08/85/1059520885.db2.gz HGHVFAQTFXGUPX-LBNVMWSVSA-N 0 0 507.554 2.923 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCc3cnn(C)c3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952863254 1059520590 /nfs/dbraw/zinc/52/05/90/1059520590.db2.gz VGMCVCIKXANYLL-NSOVKSMOSA-N 0 0 559.667 2.852 50 0 KFAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)CCc1ccccc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952863261 1059520724 /nfs/dbraw/zinc/52/07/24/1059520724.db2.gz VHRAXTBMCKLBRF-CAJOGKIJSA-N 0 0 705.857 2.637 50 0 KFAARN O=C(CCCN1CCOCC1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863270 1059520842 /nfs/dbraw/zinc/52/08/42/1059520842.db2.gz HMWRYVHQZFSTBA-SMCANUKXSA-N 0 0 556.667 2.931 50 0 KFAARN COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)c3cnccn3)CCCNC2=O)N(C(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000952863279 1059520706 /nfs/dbraw/zinc/52/07/06/1059520706.db2.gz URCXFTMPKXFZGQ-LSYYVWMOSA-N 0 0 718.833 2.959 50 0 KFAARN CN1CC(=O)N[C@H]2CN(C(=O)c3ccc(=O)[nH]c3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952863305 1059521330 /nfs/dbraw/zinc/52/13/30/1059521330.db2.gz UYMMBWFUTCRAHB-IZZNHLLZSA-N 0 0 544.608 2.900 50 0 KFAARN COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1c(C)nn(C)c1Cl)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863321 1059521401 /nfs/dbraw/zinc/52/14/01/1059521401.db2.gz VFGKJPYPCNKEON-MHZLTWQESA-N 0 0 635.169 2.967 50 0 KFAARN O=C(Cc1cc(F)cc(F)c1)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952863324 1059521474 /nfs/dbraw/zinc/52/14/74/1059521474.db2.gz DRNPLFFMPQRLDI-GMAHTHKFSA-N 0 0 531.947 2.761 50 0 KFAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3coc(C)n3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952863337 1059521305 /nfs/dbraw/zinc/52/13/05/1059521305.db2.gz IAFNGZDCILDLMC-UIOOFZCWSA-N 0 0 564.639 2.898 50 0 KFAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952863341 1059521345 /nfs/dbraw/zinc/52/13/45/1059521345.db2.gz VKGICNMLCWKQBT-NUXXNWGHSA-N 0 0 726.875 2.549 50 0 KFAARN CCc1nccn1CCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cncc(c3)C(=O)NCCCC(=O)N[C@H]2C1 ZINC000952863343 1059521454 /nfs/dbraw/zinc/52/14/54/1059521454.db2.gz IAFZZBBCPWZAQM-UIOOFZCWSA-N 0 0 560.655 2.849 50 0 KFAARN O=C1N[C@@H](CC2CCCCC2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cn(nn2)CCOc2cccc1c2 ZINC000952863345 1059521485 /nfs/dbraw/zinc/52/14/85/1059521485.db2.gz VKZQRXQWUJYRJH-SXOMAYOGSA-N 0 0 544.656 2.783 50 0 KFAARN O=C(CCn1cncn1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863388 1059521991 /nfs/dbraw/zinc/52/19/91/1059521991.db2.gz VRRWYCUNBGKENZ-XTEPFMGCSA-N 0 0 524.585 2.501 50 0 KFAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)/C=C/c2ccccc2)CCNC1=O ZINC000952863408 1059521952 /nfs/dbraw/zinc/52/19/52/1059521952.db2.gz IUNILLNKIQCWIG-MUNMYPBESA-N 0 0 562.646 2.855 50 0 KFAARN CN1CC(=O)N[C@H]2CN(C(=O)CCc3cnn(C)c3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952863425 1059521968 /nfs/dbraw/zinc/52/19/68/1059521968.db2.gz JAZJQQNWZOVRHV-WUFINQPMSA-N 0 0 559.667 2.852 50 0 KFAARN CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)CSc2ccc(Cl)cc2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952863428 1059521833 /nfs/dbraw/zinc/52/18/33/1059521833.db2.gz JCUODGQAPCDQIN-JZOXGFSOSA-N 0 0 718.317 2.695 50 0 KFAARN Cc1nc2sccn2c1C(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952863431 1059521927 /nfs/dbraw/zinc/52/19/27/1059521927.db2.gz IZVUSTJWILWROA-ICSRJNTNSA-N 0 0 542.021 2.571 50 0 KFAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1noc3c1CCCC3)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863441 1059521902 /nfs/dbraw/zinc/52/19/02/1059521902.db2.gz JJWCWJUNMSEUBC-MHZLTWQESA-N 0 0 641.729 2.778 50 0 KFAARN Cc1ccnn1CCC(=O)N1C[C@@H]2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952863444 1059521853 /nfs/dbraw/zinc/52/18/53/1059521853.db2.gz AUVWMQHBILVGPG-AHWVRZQESA-N 0 0 531.613 2.680 50 0 KFAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCN3CCCCC3=O)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952863496 1059489769 /nfs/dbraw/zinc/48/97/69/1059489769.db2.gz AHUHOOWZQMAWKF-IZZNHLLZSA-N 0 0 562.667 2.878 50 0 KFAARN O=C(N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O)C1(c2ccccc2F)CC1 ZINC000952863501 1059489799 /nfs/dbraw/zinc/48/97/99/1059489799.db2.gz PPPFVEIKDFYSKK-SANMLTNESA-N 0 0 558.658 2.548 50 0 KFAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)C3(CO)CC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952863511 1059489746 /nfs/dbraw/zinc/48/97/46/1059489746.db2.gz KGFJWZSAQLYUQR-RRPNLBNLSA-N 0 0 609.720 2.674 50 0 KFAARN CNC(=O)c1cc(S(=O)(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cs1 ZINC000952863522 1059489811 /nfs/dbraw/zinc/48/98/11/1059489811.db2.gz PUNBBPCJGSWOPB-UIOOFZCWSA-N 0 0 596.731 2.953 50 0 KFAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3cc(=O)cc(C)[nH]3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863524 1059489728 /nfs/dbraw/zinc/48/97/28/1059489728.db2.gz BKSMMWVRUJCLEC-WUFINQPMSA-N 0 0 574.634 2.876 50 0 KFAARN COc1cc(N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)nc(OC)n1 ZINC000952863540 1059489786 /nfs/dbraw/zinc/48/97/86/1059489786.db2.gz WYNXEUPSKNQGKT-GMAHTHKFSA-N 0 0 533.585 2.570 50 0 KFAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952863543 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CCN1CC(=O)N[C@H]2CN(C(=O)CSc3n[nH]c(C)n3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952863784 1059525685 /nfs/dbraw/zinc/52/56/85/1059525685.db2.gz DASAIYRYABUORC-DQEYMECFSA-N 0 0 578.695 2.705 50 0 KFAARN Cc1cc(C)n(CCC(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)CO4)c(=O)n1 ZINC000952863786 1059525930 /nfs/dbraw/zinc/52/59/30/1059525930.db2.gz GISCVIDGCFAIPA-MUUNZHRXSA-N 0 0 516.598 2.702 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3cccnc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952863816 1059525764 /nfs/dbraw/zinc/52/57/64/1059525764.db2.gz YNEPWFCRFILCGQ-VMPREFPWSA-N 0 0 603.676 2.671 50 0 KFAARN CC(C)NC(=O)c1ccnc(N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)c1 ZINC000952863852 1059525736 /nfs/dbraw/zinc/52/57/36/1059525736.db2.gz DGDWRYLHFGJVNC-UHFFFAOYSA-N 0 0 531.661 2.782 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCCn3cncn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952863861 1059525951 /nfs/dbraw/zinc/52/59/51/1059525951.db2.gz JBUKDHVBWQTOMH-SVBPBHIXSA-N 0 0 560.655 2.558 50 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Cc1noc(C)c1S(=O)(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952864048 1059527067 /nfs/dbraw/zinc/52/70/67/1059527067.db2.gz XHWYLHCXSODOCQ-AHKZPQOWSA-N 0 0 536.610 2.610 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(Cc3csc(C)n3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952864054 1059527108 /nfs/dbraw/zinc/52/71/08/1059527108.db2.gz XLEIGKDURYEORV-DQEYMECFSA-N 0 0 537.642 2.627 50 0 KFAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(CC(C)C)nn1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864064 1059527088 /nfs/dbraw/zinc/52/70/88/1059527088.db2.gz XPRQPYAHGWKJHA-LJAQVGFWSA-N 0 0 656.788 2.844 50 0 KFAARN CC(=O)c1ccc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)s1 ZINC000952864086 1059527197 /nfs/dbraw/zinc/52/71/97/1059527197.db2.gz LAAIEABIRWWSSU-ICSRJNTNSA-N 0 0 530.006 2.818 50 0 KFAARN Cc1cc(C(=O)N2CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(C)c(c3)OCCCn3cc(nn3)CC2)c(-c2ccccc2)o1 ZINC000952864092 1059527569 /nfs/dbraw/zinc/52/75/69/1059527569.db2.gz 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/nfs/dbraw/zinc/52/76/87/1059527687.db2.gz LYQPCTJHMANYLT-BBKBELTISA-N 0 0 747.894 2.737 50 0 KFAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(O)cn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952864157 1059527652 /nfs/dbraw/zinc/52/76/52/1059527652.db2.gz MAXGKHZVOZVSSZ-LOSJGSFVSA-N 0 0 530.581 2.890 50 0 KFAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cnc(C)c(C)c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952864159 1059527537 /nfs/dbraw/zinc/52/75/37/1059527537.db2.gz LTEDNNKBXPAWBD-NUXXNWGHSA-N 0 0 726.875 2.549 50 0 KFAARN COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1ccc(Cl)cc1OC)CCCNC2=O ZINC000952864160 1059527708 /nfs/dbraw/zinc/52/77/08/1059527708.db2.gz IWUOIZUYTOTKDA-IBGZPJMESA-N 0 0 589.089 2.755 50 0 KFAARN CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2ccc(cc2)CNC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC1=O ZINC000952864187 1059527631 /nfs/dbraw/zinc/52/76/31/1059527631.db2.gz MKPOCCAAFFFFMN-KBMIEXCESA-N 0 0 610.115 2.610 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)CN3CCCC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952864200 1059528307 /nfs/dbraw/zinc/52/83/07/1059528307.db2.gz YTUKESGFTQPXKQ-NSOVKSMOSA-N 0 0 592.693 2.967 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCCN3CCCC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952864201 1059528329 /nfs/dbraw/zinc/52/83/29/1059528329.db2.gz MORVCQTZFAQLTM-NSOVKSMOSA-N 0 0 576.694 2.888 50 0 KFAARN O=C(CCCN1CCCC1=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952864212 1059528354 /nfs/dbraw/zinc/52/83/54/1059528354.db2.gz MXJJMHOURTWNKG-KYJUHHDHSA-N 0 0 620.747 2.641 50 0 KFAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952864220 1059528389 /nfs/dbraw/zinc/52/83/89/1059528389.db2.gz NBPMGWQVUIKVKS-CWPIJUQSSA-N 0 0 732.826 2.549 50 0 KFAARN COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1cnc(N3CCCC3)nc1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864233 1059528210 /nfs/dbraw/zinc/52/82/10/1059528210.db2.gz MLFKYRARXPCOKY-PMERELPUSA-N 0 0 653.788 2.662 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(Cc3cc(C(C)(C)C)n[nH]3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952864254 1059528074 /nfs/dbraw/zinc/52/80/74/1059528074.db2.gz JMXYYDVYNPYAOK-UIOOFZCWSA-N 0 0 562.671 2.883 50 0 KFAARN Cc1nc(C)c(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)c(=O)[nH]1 ZINC000952864257 1059528269 /nfs/dbraw/zinc/52/82/69/1059528269.db2.gz NHAJDWPDHFPEQS-WUFINQPMSA-N 0 0 587.677 2.841 50 0 KFAARN CSc1ncccc1C(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952864268 1059528121 /nfs/dbraw/zinc/52/81/21/1059528121.db2.gz JRFZVHPCSREAMB-FPOVZHCZSA-N 0 0 529.022 2.671 50 0 KFAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)COC)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952864273 1059528370 /nfs/dbraw/zinc/52/83/70/1059528370.db2.gz MWGYRIKRSKFCSO-LOSJGSFVSA-N 0 0 541.645 2.588 50 0 KFAARN Cc1c[nH]c(CN2C[C@@H]3NC(=O)CCNC(=O)CCc4ccc(cc4)Oc4cccc(c4)CO[C@H]3C2)n1 ZINC000952864279 1059528772 /nfs/dbraw/zinc/52/87/72/1059528772.db2.gz NACLIRUKWUPYFV-DQEYMECFSA-N 0 0 503.603 2.849 50 0 KFAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccnn3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952864283 1059528794 /nfs/dbraw/zinc/52/87/94/1059528794.db2.gz NUIDLFYSLQUCBQ-XTEPFMGCSA-N 0 0 619.719 2.948 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C)nc(C)n3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952864284 1059528750 /nfs/dbraw/zinc/52/87/50/1059528750.db2.gz NURAXAWNVKCGNH-FIBWVYCGSA-N 0 0 617.703 2.842 50 0 KFAARN CC(C)C[C@@H]1NC(=O)CN(C(=O)c2csc(-c3cccs3)n2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952864297 1059528818 /nfs/dbraw/zinc/52/88/18/1059528818.db2.gz NNQVTYKGVUDJKS-PMVMPFDFSA-N 0 0 638.816 2.549 50 0 KFAARN CC(C)C[C@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952864320 1059528729 /nfs/dbraw/zinc/52/87/29/1059528729.db2.gz OLCAFWLINFOQKY-DHIUTWEWSA-N 0 0 539.036 2.512 50 0 KFAARN O=C([C@@H](c1cccnc1)N1CCCC1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952864337 1059528877 /nfs/dbraw/zinc/52/88/77/1059528877.db2.gz FMSRZAGNBNKKAO-MUUNZHRXSA-N 0 0 557.699 2.803 50 0 KFAARN O=C([C@H](c1cccnc1)N1CCCC1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952864340 1059528694 /nfs/dbraw/zinc/52/86/94/1059528694.db2.gz FMSRZAGNBNKKAO-NDEPHWFRSA-N 0 0 557.699 2.803 50 0 KFAARN Cc1[nH]c2c(c1C(=O)N1C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C1)C(=O)CCC2 ZINC000952864363 1059528676 /nfs/dbraw/zinc/52/86/76/1059528676.db2.gz VDMDHABHIATNKR-REWPJTCUSA-N 0 0 553.019 2.709 50 0 KFAARN CC(C)C[C@@H]1NC(=O)CN(C(=O)CC23CC4CC(CC(C4)C2)C3)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952864392 1059529337 /nfs/dbraw/zinc/52/93/37/1059529337.db2.gz GEZVOMWJLUUMFZ-VLVMLQKASA-N 0 0 621.823 2.657 50 0 KFAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3nnc(C)o3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952864393 1059529558 /nfs/dbraw/zinc/52/95/58/1059529558.db2.gz HAUDHWMKRDFELJ-DQEYMECFSA-N 0 0 535.601 2.978 50 0 KFAARN CCc1nc(C)c(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)o1 ZINC000952864417 1059529506 /nfs/dbraw/zinc/52/95/06/1059529506.db2.gz VTDOEJCKTMUYNN-SANMLTNESA-N 0 0 629.718 2.770 50 0 KFAARN Cc1ncc(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)n1C ZINC000952864425 1059529578 /nfs/dbraw/zinc/52/95/78/1059529578.db2.gz VUWQXVYEHCBMBT-AHWVRZQESA-N 0 0 503.603 2.801 50 0 KFAARN CC(=O)c1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)[nH]n1 ZINC000952864444 1059529482 /nfs/dbraw/zinc/52/94/82/1059529482.db2.gz WBHZWYPNEJJNAK-RRPNLBNLSA-N 0 0 559.623 2.725 50 0 KFAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3ccncc3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952864450 1059529245 /nfs/dbraw/zinc/52/92/45/1059529245.db2.gz HWQXZZBQQOBITE-SVBPBHIXSA-N 0 0 560.651 2.997 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ccn(CC)c(=O)c3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952864456 1059530032 /nfs/dbraw/zinc/53/00/32/1059530032.db2.gz HODYGKMZLYYTGV-NSOVKSMOSA-N 0 0 572.662 2.981 50 0 KFAARN COCC1(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)C4=O)CC1 ZINC000952864463 1059529888 /nfs/dbraw/zinc/52/98/88/1059529888.db2.gz HOQXITICKTWWKU-ABYGYWHVSA-N 0 0 503.599 2.912 50 0 KFAARN Cc1c[nH]c(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n1 ZINC000952864469 1059529854 /nfs/dbraw/zinc/52/98/54/1059529854.db2.gz HPNHXRXWDNXIJV-LOSJGSFVSA-N 0 0 531.613 2.831 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cn(C)cn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952864490 1059529992 /nfs/dbraw/zinc/52/99/92/1059529992.db2.gz WRMKSLKPXJKOPX-AHWVRZQESA-N 0 0 531.613 2.533 50 0 KFAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)CN3CCCC3=O)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952864496 1059529971 /nfs/dbraw/zinc/52/99/71/1059529971.db2.gz IJNICEGJTGVUDV-WUFINQPMSA-N 0 0 636.746 2.524 50 0 KFAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)CCC(N)=O)NC1=O ZINC000952864512 1059529935 /nfs/dbraw/zinc/52/99/35/1059529935.db2.gz IJWQPPOURFLNCD-JBOQNHBVSA-N 0 0 659.759 2.794 50 0 KFAARN CN1CC(=O)N[C@H]2CN(C(=O)c3ccnn3C)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952864517 1059529956 /nfs/dbraw/zinc/52/99/56/1059529956.db2.gz IKVDNVHAHLWWBN-AZGAKELHSA-N 0 0 531.613 2.533 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(Cc3cnn4c3nc(C)cc4C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952864518 1059529828 /nfs/dbraw/zinc/52/98/28/1059529828.db2.gz IQWYHBBSTLBDTC-NSOVKSMOSA-N 0 0 585.665 2.521 50 0 KFAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(c1ncnc3sccc31)CCCNC(=O)CC2 ZINC000952864519 1059530014 /nfs/dbraw/zinc/53/00/14/1059530014.db2.gz ILPUDPXJCFOHRK-FQEVSTJZSA-N 0 0 582.727 2.781 50 0 KFAARN CCc1nn(C)c(Cl)c1CN1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952864536 1059529908 /nfs/dbraw/zinc/52/99/08/1059529908.db2.gz IWAZSDUTHCLIBS-UNMCSNQZSA-N 0 0 534.448 2.863 50 0 KFAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952864537 1059530773 /nfs/dbraw/zinc/53/07/73/1059530773.db2.gz IQVJQJDPSASRNJ-FIBWVYCGSA-N 0 0 629.714 2.992 50 0 KFAARN CCCCc1nc(CN2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)c[nH]1 ZINC000952864553 1059530615 /nfs/dbraw/zinc/53/06/15/1059530615.db2.gz KAJKAKCXDGETEV-RUZDIDTESA-N 0 0 568.698 2.881 50 0 KFAARN Cc1noc2nc(C)cc(C(=O)N3C[C@@H]4NC(=O)c5ccc(Cl)c(c5)OCCCn5cc(nn5)CO[C@H]4C3)c12 ZINC000952864556 1059530697 /nfs/dbraw/zinc/53/06/97/1059530697.db2.gz IVJZFYCKLVSNAA-UNMCSNQZSA-N 0 0 551.991 2.707 50 0 KFAARN CC(C)c1cc(C(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)no1 ZINC000952864562 1059530718 /nfs/dbraw/zinc/53/07/18/1059530718.db2.gz XGKSIZCLJDYRKK-UHFFFAOYSA-N 0 0 506.607 2.996 50 0 KFAARN CN1CC(=O)N[C@H]2CN(c3ccnc(N)n3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952864599 1059530561 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CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)CSc2cn(C)c3ccccc23)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952865073 1059534424 /nfs/dbraw/zinc/53/44/24/1059534424.db2.gz OOVYYTMVXUXQHO-DPGKKZRPSA-N 0 0 736.936 2.533 50 0 KFAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)c2cc(-c3cccs3)nn2C)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952865096 1059534466 /nfs/dbraw/zinc/53/44/66/1059534466.db2.gz MLEXBDNAEGQGFN-HDXYBINASA-N 0 0 708.845 2.504 50 0 KFAARN C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(C(=O)Cc2cccc(C(F)(F)F)c2)CCCCN(C)C1=O ZINC000952865097 1059534405 /nfs/dbraw/zinc/53/44/05/1059534405.db2.gz MLNZSDGWRUKSRH-IBGZPJMESA-N 0 0 592.615 2.738 50 0 KFAARN O=C(N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1)C1(Cn2ccnc2)CC1 ZINC000952865120 1059534368 /nfs/dbraw/zinc/53/43/68/1059534368.db2.gz NAXASFGGZVKZHR-KYJUHHDHSA-N 0 0 615.731 2.915 50 0 KFAARN C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2ccccc2C(F)(F)F)NC1=O ZINC000952865121 1059534330 /nfs/dbraw/zinc/53/43/30/1059534330.db2.gz NBQKVOMHVZTGCV-NQIRKQEASA-N 0 0 693.723 2.665 50 0 KFAARN CCCn1nccc1S(=O)(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865129 1059534348 /nfs/dbraw/zinc/53/43/48/1059534348.db2.gz USBIFKYXHIVPEA-XTEPFMGCSA-N 0 0 549.653 2.612 50 0 KFAARN CNc1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)ccn1 ZINC000952865161 1059534288 /nfs/dbraw/zinc/53/42/88/1059534288.db2.gz ULFXYCSTSMQZBX-VMPREFPWSA-N 0 0 601.704 2.989 50 0 KFAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCCN3CCCC3=O)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865167 1059534447 /nfs/dbraw/zinc/53/44/47/1059534447.db2.gz OSYKBSOBGWTMHI-IZZNHLLZSA-N 0 0 562.667 2.878 50 0 KFAARN O=C(c1ccc(Cl)s1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865183 1059534768 /nfs/dbraw/zinc/53/47/68/1059534768.db2.gz UPALUSQKFPRORS-FQEVSTJZSA-N 0 0 541.077 2.706 50 0 KFAARN CC(C)C[C@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952865189 1059534971 /nfs/dbraw/zinc/53/49/71/1059534971.db2.gz NUMGUNBFWIXZCX-DNQXCXABSA-N 0 0 553.063 2.902 50 0 KFAARN CN1CC(=O)N[C@H]2CN(C(=O)CCCn3cncn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952865201 1059534919 /nfs/dbraw/zinc/53/49/19/1059534919.db2.gz VDZHHPFYJUKSQH-RRPNLBNLSA-N 0 0 560.655 2.558 50 0 KFAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)c2scc3c2CCCC3)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952865215 1059534959 /nfs/dbraw/zinc/53/49/59/1059534959.db2.gz PXEBWJHGIGKVHD-ANZMCEIWSA-N 0 0 682.847 2.982 50 0 KFAARN Cc1nc(C)c(CC(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)CO4)c(=O)[nH]1 ZINC000952865221 1059534881 /nfs/dbraw/zinc/53/48/81/1059534881.db2.gz VASVNFSUPIXEFZ-HHHXNRCGSA-N 0 0 502.571 2.793 50 0 KFAARN CN1CC(=O)N[C@H]2CN(C(=O)c3cnc(N)s3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952865240 1059534819 /nfs/dbraw/zinc/53/48/19/1059534819.db2.gz VIFZNYFJGBEPQM-XZOQPEGZSA-N 0 0 549.653 2.838 50 0 KFAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1csc(C(C)C)n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952865263 1059534858 /nfs/dbraw/zinc/53/48/58/1059534858.db2.gz OHNXOJBJHWCSDO-OKQRBPQJSA-N 0 0 730.929 2.542 50 0 KFAARN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3csc4c3CCCC4)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952865269 1059534839 /nfs/dbraw/zinc/53/48/39/1059534839.db2.gz QKNCLEISJOWHSN-FDDCHVKYSA-N 0 0 578.695 2.711 50 0 KFAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cnc3c(c1)CCCC3)CCCNC(=O)CC2 ZINC000952865284 1059534750 /nfs/dbraw/zinc/53/47/50/1059534750.db2.gz OQLIUQLAQVKFOZ-QHCPKHFHSA-N 0 0 607.752 2.686 50 0 KFAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cn3cc(Cl)ccc3n2)CCNC1=O ZINC000952865288 1059534788 /nfs/dbraw/zinc/53/47/88/1059534788.db2.gz VVSSITVTNZRHBM-ZKIDBMNQSA-N 0 0 742.665 2.527 50 0 KFAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cc3sccc3[nH]2)CCNC1=O ZINC000952865331 1059535535 /nfs/dbraw/zinc/53/55/35/1059535535.db2.gz WGRMZCYPMVZMRY-ROQFYEMFSA-N 0 0 713.261 2.768 50 0 KFAARN Cc1ccnn1CCC(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865333 1059535276 /nfs/dbraw/zinc/53/52/76/1059535276.db2.gz RIHKNMFSFXHDRE-LMSSTIIKSA-N 0 0 513.598 2.739 50 0 KFAARN CC(=O)c1cc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cs1 ZINC000952865338 1059535585 /nfs/dbraw/zinc/53/55/85/1059535585.db2.gz PGGRBKPDNXYJRN-DEOSSOPVSA-N 0 0 534.686 2.615 50 0 KFAARN O=C(c1n[nH]c2c1CCC2)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865352 1059535296 /nfs/dbraw/zinc/53/52/96/1059535296.db2.gz WKNPTWXSAPTMHM-LITSAYRRSA-N 0 0 511.582 2.669 50 0 KFAARN Cc1nc(C)c(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)s1 ZINC000952865383 1059535633 /nfs/dbraw/zinc/53/56/33/1059535633.db2.gz WTYXVYLSUQNZCD-JOCHJYFZSA-N 0 0 571.679 2.529 50 0 KFAARN CN(C)C(=O)CCC(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865394 1059535449 /nfs/dbraw/zinc/53/54/49/1059535449.db2.gz WZZSHCQDRPJPGG-LMSSTIIKSA-N 0 0 528.613 2.687 50 0 KFAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@H+](CCC(=O)[O-])CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865395 1059535316 /nfs/dbraw/zinc/53/53/16/1059535316.db2.gz XTCHBZAVOYCIGK-ZEQRLZLVSA-N 0 0 511.575 2.562 50 0 KFAARN Cc1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)sc1C ZINC000952865399 1059535556 /nfs/dbraw/zinc/53/55/56/1059535556.db2.gz PTUBDBKHNJXXMU-QHCPKHFHSA-N 0 0 534.686 2.669 50 0 KFAARN O=C(CCN1CCCC1=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865403 1059536111 /nfs/dbraw/zinc/53/61/11/1059536111.db2.gz XFPCPCISTMSCDF-MFMCTBQISA-N 0 0 540.624 2.831 50 0 KFAARN O=C1N[C@H]2CN(Cc3ccncc3Cl)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952865408 1059535932 /nfs/dbraw/zinc/53/59/32/1059535932.db2.gz XZDZLNCNZYMOAC-UNMCSNQZSA-N 0 0 503.390 2.962 50 0 KFAARN COc1ccccc1OC(C)(C)C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C1 ZINC000952865442 1059536011 /nfs/dbraw/zinc/53/60/11/1059536011.db2.gz XYPRBXCQUYRHDI-YYXXCONNSA-N 0 0 710.832 2.594 50 0 KFAARN CC(C)C[C@@H]1NC(=O)CN(Cc2ccc(-c3ccccn3)cc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952865447 1059536127 /nfs/dbraw/zinc/53/61/27/1059536127.db2.gz QPTRMLMOHRKOGZ-YYXXCONNSA-N 0 0 612.775 2.786 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(Cc3cc4c(cc3OC)OCO4)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952865460 1059536034 /nfs/dbraw/zinc/53/60/34/1059536034.db2.gz YKENIVROUUNKSC-SVEHJYQDSA-N 0 0 590.633 2.599 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc[nH]3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952865480 1059536091 /nfs/dbraw/zinc/53/60/91/1059536091.db2.gz YOYQAGAKPJPGGO-BDYUSTAISA-N 0 0 577.638 2.675 50 0 KFAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3cnc(N4CCOCC4)nc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865481 1059535912 /nfs/dbraw/zinc/53/59/12/1059535912.db2.gz YRRILRYJYSBOED-VMPREFPWSA-N 0 0 630.702 2.554 50 0 KFAARN CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)c3ccc(=O)[nH]c3)CC[C@@]23c2ccccc2N(CC1=O)C3=O ZINC000952865488 1059536053 /nfs/dbraw/zinc/53/60/53/1059536053.db2.gz ZGFJSOZCMRVPOP-LITSAYRRSA-N 0 0 512.566 2.900 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCn3c(C)cc(C)nc3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952865524 1059536070 /nfs/dbraw/zinc/53/60/70/1059536070.db2.gz PXOVPUQSPGTTBP-VMPREFPWSA-N 0 0 601.704 2.750 50 0 KFAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc[nH]n3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865525 1059536806 /nfs/dbraw/zinc/53/68/06/1059536806.db2.gz ZNEJVAGAEZKKFU-XZOQPEGZSA-N 0 0 503.559 2.512 50 0 KFAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3nccnc3C)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865599 1059536518 /nfs/dbraw/zinc/53/65/18/1059536518.db2.gz SLQQASCHTYTJKF-AHWVRZQESA-N 0 0 501.587 2.857 50 0 KFAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)COC)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952865607 1059536840 /nfs/dbraw/zinc/53/68/40/1059536840.db2.gz SQFUEIKEXKARFG-IZZNHLLZSA-N 0 0 583.682 2.548 50 0 KFAARN O=C(c1ccc(Cl)c(F)c1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865657 1059536783 /nfs/dbraw/zinc/53/67/83/1059536783.db2.gz UTWHCZUNAUTDII-DEOSSOPVSA-N 0 0 553.038 2.783 50 0 KFAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)CCc3scnc3C)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952865667 1059536629 /nfs/dbraw/zinc/53/66/29/1059536629.db2.gz UNAXFIRLMMAUEE-UYEZAFAQSA-N 0 0 746.931 2.621 50 0 KFAARN COc1ccc(-n2ccnc2CN2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)cc1 ZINC000952865678 1059536656 /nfs/dbraw/zinc/53/66/56/1059536656.db2.gz VJMFNWKVPCCSPV-VWLOTQADSA-N 0 0 634.778 2.966 50 0 KFAARN CCCC(CCC)C(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2cc(O)cc(c2)C(=O)NCCC1 ZINC000952865690 1059537452 /nfs/dbraw/zinc/53/74/52/1059537452.db2.gz VZYRBRWVAGXFOW-FQEVSTJZSA-N 0 0 532.682 2.693 50 0 KFAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc[nH]n3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952865694 1059537386 /nfs/dbraw/zinc/53/73/86/1059537386.db2.gz WEEJSCRFZSFVNG-IGKIAQTJSA-N 0 0 559.623 2.674 50 0 KFAARN CCc1nc(S(=O)(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)c[nH]1 ZINC000952865705 1059537417 /nfs/dbraw/zinc/53/74/17/1059537417.db2.gz WUPOLNPSQAKANI-DQEYMECFSA-N 0 0 551.669 2.817 50 0 KFAARN O=C(c1coc2ccccc12)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865714 1059537466 /nfs/dbraw/zinc/53/74/66/1059537466.db2.gz XGMMGVFXASADGU-VWLOTQADSA-N 0 0 540.624 2.737 50 0 KFAARN COCc1nc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)no1 ZINC000952865749 1059537315 /nfs/dbraw/zinc/53/73/15/1059537315.db2.gz RSTZLRWAGHRWNQ-XZOQPEGZSA-N 0 0 535.601 2.678 50 0 KFAARN COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1cccc(C)n1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865756 1059537263 /nfs/dbraw/zinc/53/72/63/1059537263.db2.gz UWJJYANKGMFZAJ-LJAQVGFWSA-N 0 0 597.720 2.975 50 0 KFAARN COc1cc2ccc1OCCn1cc(nn1)CCN(Cc1cc(C3CCCCC3)no1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952865776 1059537351 /nfs/dbraw/zinc/53/73/51/1059537351.db2.gz SRTRIMQYEMKOGG-FCXOZWAYSA-N 0 0 742.878 2.783 50 0 KFAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3cc(C)n(C)n3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952865782 1059537327 /nfs/dbraw/zinc/53/73/27/1059537327.db2.gz VOSHIECJRQUZPQ-RRPNLBNLSA-N 0 0 561.639 2.921 50 0 KFAARN Cc1nc(CC(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)c(C)s1 ZINC000952865783 1059537241 /nfs/dbraw/zinc/53/72/41/1059537241.db2.gz VOWBKVINLLDTRJ-UHFFFAOYSA-N 0 0 522.675 2.887 50 0 KFAARN COc1ccc(C(=O)N2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)cc1C ZINC000952865789 1059538051 /nfs/dbraw/zinc/53/80/51/1059538051.db2.gz XLYBLULOEZBFFY-QHCPKHFHSA-N 0 0 596.725 2.729 50 0 KFAARN CN1CC(=O)N[C@H]2CN(C(=O)c3cc[nH]n3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952865792 1059537952 /nfs/dbraw/zinc/53/79/52/1059537952.db2.gz SYMWGDXULAFTNP-LOSJGSFVSA-N 0 0 517.586 2.523 50 0 KFAARN Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)nn1C ZINC000952865801 1059538038 /nfs/dbraw/zinc/53/80/38/1059538038.db2.gz TWJCJOKVMHNRNC-RRPNLBNLSA-N 0 0 545.640 2.842 50 0 KFAARN Cc1nn(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C2)c(=O)c2ccccc12 ZINC000952865814 1059537913 /nfs/dbraw/zinc/53/79/13/1059537913.db2.gz XUAOTSXGALLJQW-VMPREFPWSA-N 0 0 610.671 2.718 50 0 KFAARN CCn1nc(CC(C)C)cc1C(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2cc(ccc2OC)CCC(=O)NCCC1 ZINC000952865819 1059537932 /nfs/dbraw/zinc/53/79/32/1059537932.db2.gz WLNKFXSVKCFBNG-DEOSSOPVSA-N 0 0 626.799 2.827 50 0 KFAARN CCc1nnc(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)o1 ZINC000952865833 1059537875 /nfs/dbraw/zinc/53/78/75/1059537875.db2.gz WRMYAQVFTIGSTE-GMAHTHKFSA-N 0 0 505.575 2.704 50 0 KFAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(N(C)C)ncn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865835 1059537986 /nfs/dbraw/zinc/53/79/86/1059537986.db2.gz UFGZLTMPNRVQGT-UPVQGACJSA-N 0 0 516.602 2.619 50 0 KFAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)C1CCN(C(=O)c3ccncc3)CC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865838 1059537896 /nfs/dbraw/zinc/53/78/96/1059537896.db2.gz UINOVZSQYSBKSA-YTTGMZPUSA-N 0 0 708.820 2.545 50 0 KFAARN COc1ccc(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)cn1 ZINC000952865846 1059538067 /nfs/dbraw/zinc/53/80/67/1059538067.db2.gz YHPBUTLOXWHRPS-NDEPHWFRSA-N 0 0 613.719 2.675 50 0 KFAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC[C@H]1OCc1cccc(c1)O2 ZINC000952865847 1059538662 /nfs/dbraw/zinc/53/86/62/1059538662.db2.gz WUKBPMYRELEAFA-WUFINQPMSA-N 0 0 603.676 2.921 50 0 KFAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCCn3cncn3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952865855 1059538745 /nfs/dbraw/zinc/53/87/45/1059538745.db2.gz UMWVLAZRLOQJNN-WNJJXGMVSA-N 0 0 602.692 2.709 50 0 KFAARN COc1ncccc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952865862 1059538767 /nfs/dbraw/zinc/53/87/67/1059538767.db2.gz UOINEAACHMSTAI-VMPREFPWSA-N 0 0 602.688 2.956 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(C(=O)CSc3nc(C)cs3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952865874 1059538702 /nfs/dbraw/zinc/53/87/02/1059538702.db2.gz YVIXQVYHBRSWKB-ZEQRLZLVSA-N 0 0 597.719 2.746 50 0 KFAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3[nH]nc(N)c3Cl)CC[C@H]1OCc1cccc(c1)O2 ZINC000952865889 1059538598 /nfs/dbraw/zinc/53/85/98/1059538598.db2.gz UZZBDUGVIOYGMH-FCHUYYIVSA-N 0 0 583.045 2.838 50 0 KFAARN O=C1N[C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCCC4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952865892 1059538640 /nfs/dbraw/zinc/53/86/40/1059538640.db2.gz VACXHRUUEQDYAW-UPVQGACJSA-N 0 0 553.019 2.533 50 0 KFAARN COc1ccccc1CNC(=O)CN1C[C@@H]2NC(=O)CN(C)Cc3ccc(OC)c(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952865893 1059538619 /nfs/dbraw/zinc/53/86/19/1059538619.db2.gz XGSWZZMINNJVQX-YZNIXAGQSA-N 0 0 574.678 2.944 50 0 KFAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2ccc3cccc(F)c3n2)CCNC1=O ZINC000952865895 1059538723 /nfs/dbraw/zinc/53/87/23/1059538723.db2.gz XHYJVBBLNJVYRS-GJMJJNOCSA-N 0 0 737.233 2.913 50 0 KFAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)Cc1[nH]nc3ccccc31)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865897 1059538551 /nfs/dbraw/zinc/53/85/51/1059538551.db2.gz XIFWWJDNZPWODQ-PMERELPUSA-N 0 0 650.740 2.717 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)C3(COC)CCC3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952865914 1059538574 /nfs/dbraw/zinc/53/85/74/1059538574.db2.gz XRRHHRYXZQZMLN-NSOVKSMOSA-N 0 0 610.708 2.850 50 0 KFAARN COc1ccc2cc(C(=O)N3CCNC(=O)[C@@H](CC(C)C)NC(=O)c4cc(F)ccc4OCCn4cc(nn4)CC3)n(C)c2c1 ZINC000952865915 1059539223 /nfs/dbraw/zinc/53/92/23/1059539223.db2.gz ZDKSQDFLXZWPNF-AREMUKBSSA-N 0 0 619.698 2.956 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3c[nH]cn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952865917 1059539316 /nfs/dbraw/zinc/53/93/16/1059539316.db2.gz XUGCCXJGHOASBN-DQEYMECFSA-N 0 0 517.586 2.523 50 0 KFAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3cnccn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865927 1059539242 /nfs/dbraw/zinc/53/92/42/1059539242.db2.gz ZGHTVCWBCQCREV-IZZNHLLZSA-N 0 0 543.624 2.898 50 0 KFAARN COCC1(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)CC1 ZINC000952865930 1059539352 /nfs/dbraw/zinc/53/93/52/1059539352.db2.gz YBCSNDLVBMFLBB-NSOVKSMOSA-N 0 0 579.694 2.665 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(C(=O)CCn3c(C)nc4ccccc43)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952865938 1059539261 /nfs/dbraw/zinc/53/92/61/1059539261.db2.gz YGDDLTKMCVBWPT-JDXGNMNLSA-N 0 0 612.687 2.937 50 0 KFAARN CCCNc1ncc(CN2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cn1 ZINC000952865948 1059539280 /nfs/dbraw/zinc/53/92/80/1059539280.db2.gz YLSPDWFUBAXJOF-GMAHTHKFSA-N 0 0 527.029 2.526 50 0 KFAARN Cc1cc(Cl)ccc1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865966 1059539299 /nfs/dbraw/zinc/53/92/99/1059539299.db2.gz YXHXIIPYPZDJLZ-VWLOTQADSA-N 0 0 549.075 2.952 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(Cc3cnc(N4CCCCC4)nc3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952865970 1059539461 /nfs/dbraw/zinc/53/94/61/1059539461.db2.gz YZXIPGHFOBOSET-VMPREFPWSA-N 0 0 601.708 2.642 50 0 KFAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952865971 1059539376 /nfs/dbraw/zinc/53/93/76/1059539376.db2.gz ZBDIYLZQHNDYRD-OTPQIFFISA-N 0 0 733.813 2.815 50 0 KFAARN O=C(c1ccc[nH]1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952865978 1059539699 /nfs/dbraw/zinc/53/96/99/1059539699.db2.gz ZMYCJVMIHPBRAE-NSOVKSMOSA-N 0 0 560.651 2.880 50 0 KFAARN CC(=O)c1cc(CC(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cs1 ZINC000952865979 1059539726 /nfs/dbraw/zinc/53/97/26/1059539726.db2.gz ZOAAYKLDLZBRQH-UNMCSNQZSA-N 0 0 544.033 2.747 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCNC(C)=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952865980 1059539826 /nfs/dbraw/zinc/53/98/26/1059539826.db2.gz ZPWVJNCMVVCMJG-NSOVKSMOSA-N 0 0 580.682 2.870 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(C(=O)CC3CC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952865983 1059539741 /nfs/dbraw/zinc/53/97/41/1059539741.db2.gz ZTIXDJCACUPULQ-LSYYVWMOSA-N 0 0 565.667 2.921 50 0 KFAARN CCc1nccn1CCC(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865997 1059539600 /nfs/dbraw/zinc/53/96/00/1059539600.db2.gz VSBLBVMCRLAZQP-MFMCTBQISA-N 0 0 527.625 2.993 50 0 KFAARN Cn1cnc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)c1 ZINC000952866001 1059539635 /nfs/dbraw/zinc/53/96/35/1059539635.db2.gz VYFCJPZRIWVORB-LBNVMWSVSA-N 0 0 509.570 2.866 50 0 KFAARN CCN1CC(=O)N[C@H]2CN(c3noc(C)n3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952866006 1059539803 /nfs/dbraw/zinc/53/98/03/1059539803.db2.gz WBHQFBCMGWULHK-ZEQRLZLVSA-N 0 0 505.575 2.855 50 0 KFAARN COCCCN1CC(=O)N[C@H]2CN(C(C)=O)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952866028 1059539655 /nfs/dbraw/zinc/53/96/55/1059539655.db2.gz XBFUUOQVKQFYAT-IZZNHLLZSA-N 0 0 553.656 2.921 50 0 KFAARN Cc1cc(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)C4=O)n(C)n1 ZINC000952866049 1059539677 /nfs/dbraw/zinc/53/96/77/1059539677.db2.gz YAQBVHVIISLNQA-LITSAYRRSA-N 0 0 513.598 2.841 50 0 KFAARN COCCN1CC(=O)N[C@H](C(=O)N2CCC3(C=Cc4ccccc43)CC2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O ZINC000952866060 1059540354 /nfs/dbraw/zinc/54/03/54/1059540354.db2.gz YJXQPIJKEYBEDJ-KYJUHHDHSA-N 0 0 616.759 2.699 50 0 KFAARN Cn1cc(CCC(=O)N2CC[C@@]34c5ccccc5N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)C4=O)cn1 ZINC000952866062 1059540501 /nfs/dbraw/zinc/54/05/01/1059540501.db2.gz YMXIFAMKDNRPLL-MFMCTBQISA-N 0 0 527.625 2.852 50 0 KFAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)CN3CCCC3=O)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952866076 1059540427 /nfs/dbraw/zinc/54/04/27/1059540427.db2.gz ZBLNJNWUUOTFPF-RRPNLBNLSA-N 0 0 594.709 2.564 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(Cc3cc(CC(C)C)n[nH]3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952866089 1059540251 /nfs/dbraw/zinc/54/02/51/1059540251.db2.gz ZNZRVXXEGWYICQ-NSOVKSMOSA-N 0 0 562.671 2.784 50 0 KFAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCCN3CCCCC3=O)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952866506 1059540376 /nfs/dbraw/zinc/54/03/76/1059540376.db2.gz AEDWVNYGWFMJJH-BDYUSTAISA-N 0 0 562.667 2.878 50 0 KFAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cccc(-c3cn[nH]c3)c2)CCNC1=O ZINC000952866517 1059540465 /nfs/dbraw/zinc/54/04/65/1059540465.db2.gz ALUIRAGWWBGTTM-ZWBRNCLNSA-N 0 0 734.258 2.616 50 0 KFAARN O=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952866520 1059540483 /nfs/dbraw/zinc/54/04/83/1059540483.db2.gz AQEBVBILWQEILL-VWLOTQADSA-N 0 0 549.075 2.573 50 0 KFAARN Cc1cccc(Cl)c1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952866533 1059540286 /nfs/dbraw/zinc/54/02/86/1059540286.db2.gz BGOQSMNQXYKGDL-DEOSSOPVSA-N 0 0 549.075 2.952 50 0 KFAARN CC(C)C[C@@H]1NC(=O)CN(Cc2ccc(C(C)C)cc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952866554 1059540404 /nfs/dbraw/zinc/54/04/04/1059540404.db2.gz CAMBIUAMTRRINQ-GHPJVDHGSA-N 0 0 577.770 2.847 50 0 KFAARN Cc1ccc2cc1OCCCn1cc(nn1)CCN(Cc1nc(-c3ccc(F)cc3)cs1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O ZINC000952866821 1059541124 /nfs/dbraw/zinc/54/11/24/1059541124.db2.gz FHENFEZTDLXDHY-PBBNMVCDSA-N 0 0 621.739 2.972 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCc3ccno3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952866829 1059541076 /nfs/dbraw/zinc/54/10/76/1059541076.db2.gz FKUZOVQKYCOFHC-NSOVKSMOSA-N 0 0 607.664 2.654 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3ccccn3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952866908 1059540911 /nfs/dbraw/zinc/54/09/11/1059540911.db2.gz GYZVBUUUIVNDCD-VMPREFPWSA-N 0 0 603.676 2.671 50 0 KFAARN CNC(=O)CN(C)C(=O)[C@@H]1Cc2ccc(cc2)Oc2cc(ccc2F)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1 ZINC000952866983 1059540978 /nfs/dbraw/zinc/54/09/78/1059540978.db2.gz HWUVKJHBRMMODB-JBOQNHBVSA-N 0 0 659.759 2.664 50 0 KFAARN CCn1nc(CC(C)C)cc1C(=O)N1C[C@H]2c3cccc(c3)OCC(=O)N[C@H](CC(C)C)C(=O)N(CCOC)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H]2C1 ZINC000952867205 1059541182 /nfs/dbraw/zinc/54/11/82/1059541182.db2.gz KGKCXJJMEIPKSC-CLLHQPRTSA-N 0 0 771.960 2.952 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952867297 1059540935 /nfs/dbraw/zinc/54/09/35/1059540935.db2.gz MJKWTTSZOWZRLC-WNJJXGMVSA-N 0 0 595.693 2.548 50 0 KFAARN O=C(Cn1cccn1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952867595 1059540998 /nfs/dbraw/zinc/54/09/98/1059540998.db2.gz QVNBNEQPPYMRQT-XTEPFMGCSA-N 0 0 509.570 2.716 50 0 KFAARN O=C(c1cn2cccnc2n1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952867748 1059540962 /nfs/dbraw/zinc/54/09/62/1059540962.db2.gz RCRHIUPFGUMUMB-YTMVLYRLSA-N 0 0 612.687 2.595 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(N(C)C)nc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952867833 1059541103 /nfs/dbraw/zinc/54/11/03/1059541103.db2.gz SZNABWFNGALKFQ-VMPREFPWSA-N 0 0 632.718 2.808 50 0 KFAARN Cc1ccc(-c2cc(C(=O)N3CCNC(=O)[C@@H](CC(C)C)NC(=O)c4cc(F)ccc4OCCn4cc(nn4)CC3)[nH]n2)o1 ZINC000952867863 1059541488 /nfs/dbraw/zinc/54/14/88/1059541488.db2.gz UITKHVGCHAVSNS-XMMPIXPASA-N 0 0 606.659 2.747 50 0 KFAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCc3ccnn3C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952867872 1059541660 /nfs/dbraw/zinc/54/16/60/1059541660.db2.gz ULWTVIFCXSLTSP-NSOVKSMOSA-N 0 0 575.666 2.980 50 0 KFAARN O=C(C1CCCCCC1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952868028 1059541682 /nfs/dbraw/zinc/54/16/82/1059541682.db2.gz AJUWYVIEWVVDJO-VWLOTQADSA-N 0 0 520.678 2.647 50 0 KFAARN COCC1(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952868075 1059521878 /nfs/dbraw/zinc/52/18/78/1059521878.db2.gz BAOBWEHRYBWNCR-UPVQGACJSA-N 0 0 507.587 2.512 50 0 KFAARN Cn1ccc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)n1 ZINC000952868095 1059521809 /nfs/dbraw/zinc/52/18/09/1059521809.db2.gz YIKHGQNFNGBEDC-LBNVMWSVSA-N 0 0 509.570 2.866 50 0 KFAARN COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(c1nc3ccccc3o1)CCCNC2=O ZINC000952868126 1059522549 /nfs/dbraw/zinc/52/25/49/1059522549.db2.gz BUYQZTRJNYQWSM-IBGZPJMESA-N 0 0 537.617 2.599 50 0 KFAARN O=C(CCC1CCCC1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952868146 1059522390 /nfs/dbraw/zinc/52/23/90/1059522390.db2.gz ZPEUQPDCCIXGLV-VWLOTQADSA-N 0 0 520.678 2.647 50 0 KFAARN COc1ccc(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)cc1OC ZINC000952868204 1059522332 /nfs/dbraw/zinc/52/23/32/1059522332.db2.gz DYSLPOGWUXPRSX-LJAQVGFWSA-N 0 0 670.767 2.858 50 0 KFAARN Cn1cc(CCC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)cn1 ZINC000952868206 1059522510 /nfs/dbraw/zinc/52/25/10/1059522510.db2.gz FEGWBTVOERXDLI-KYJUHHDHSA-N 0 0 603.720 2.605 50 0 KFAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccc3ncccc3c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952868218 1059522490 /nfs/dbraw/zinc/52/24/90/1059522490.db2.gz FWBFWGXSCLZENZ-BTUWKKTJSA-N 0 0 732.879 2.510 50 0 KFAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cn3nc(C)c(C)c3C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952868219 1059522632 /nfs/dbraw/zinc/52/26/32/1059522632.db2.gz FWFZOHBPXDBOQL-KYJUHHDHSA-N 0 0 634.734 2.855 50 0 KFAARN Cc1oc(-c2cccs2)nc1CN1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(C)c(c2)OCCCn2cc(nn2)CC1 ZINC000952868251 1059522434 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ZINC000952974209 1059542177 /nfs/dbraw/zinc/54/21/77/1059542177.db2.gz TXYQXENSARDOCX-RGIPJCQOSA-N 0 0 706.910 2.654 50 0 KFAARN O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2N1 ZINC000952974253 1059542474 /nfs/dbraw/zinc/54/24/74/1059542474.db2.gz UHRLBFJQPTXILL-UIOOFZCWSA-N 0 0 501.587 2.566 50 0 KFAARN Cc1ccc(-c2cccc(CN3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)c2)o1 ZINC000952974526 1059542394 /nfs/dbraw/zinc/54/23/94/1059542394.db2.gz MCLIXAUEYWERJN-URLMMPGGSA-N 0 0 595.704 2.697 50 0 KFAARN CN(CC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1)Cc1ccccn1 ZINC000952974758 1059542247 /nfs/dbraw/zinc/54/22/47/1059542247.db2.gz VEIGZQDFCDKOLA-ACHIHNKUSA-N 0 0 629.758 2.765 50 0 KFAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3cc[nH]n3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952977000 1059542524 /nfs/dbraw/zinc/54/25/24/1059542524.db2.gz RLROTJPKRRAUTP-IZZNHLLZSA-N 0 0 519.602 2.962 50 0 KFAARN COCCN1CC(=O)N[C@H]2CN(Cc3ccc4c(c3)CCO4)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952977115 1059542544 /nfs/dbraw/zinc/54/25/44/1059542544.db2.gz SGOWDJGKJWRTDJ-YTMVLYRLSA-N 0 0 558.635 2.797 50 0 KFAARN Cn1cncc1C[NH+]1CCC2(Cc3cccc(c3)Oc3ccc(cc3)C[C@@H](C(=O)[O-])NC(=O)CCNC2=O)CC1 ZINC000952977502 1059542202 /nfs/dbraw/zinc/54/22/02/1059542202.db2.gz UBRBWZRRQWFRES-SANMLTNESA-N 0 0 545.640 2.669 50 0 KFAARN CC(C)C[C@@H]1NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)NCc2nnc3n2CCC3)NC1=O ZINC000952977604 1059542599 /nfs/dbraw/zinc/54/25/99/1059542599.db2.gz ULQVBLQLCXFZGW-GOTSBHOMSA-N 0 0 516.602 2.518 50 0 KFAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(Cc3cnc(C4CCCCC4)nc3)C[C@@H]1NC2=O ZINC000952979781 1059543196 /nfs/dbraw/zinc/54/31/96/1059543196.db2.gz ZTDYTLVCQVTRML-OZXSUGGESA-N 0 0 533.633 2.716 50 0 KFAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCNC(=O)CC2)NC1=O ZINC000952982737 1059542918 /nfs/dbraw/zinc/54/29/18/1059542918.db2.gz ZZPJQGSNMFKWRD-YPKYBTACSA-N 0 0 671.770 2.808 50 0 KFAARN CC(=O)OC[C@H]1O[C@@H](Oc2cccc(Oc3ccccc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001505840602 1059771769 /nfs/dbraw/zinc/77/17/69/1059771769.db2.gz FFJCMQMRBBJWRR-WSGIOKLISA-N 0 0 516.499 2.941 50 0 KFAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H]2OC(C)(C)O[C@H]12 ZINC001529417041 1059772452 /nfs/dbraw/zinc/77/24/52/1059772452.db2.gz HAVVIXOQRJHQMM-ADOMEBDSSA-N 0 0 507.544 2.913 50 0 KFAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H]2OC(C)(C)O[C@@H]12 ZINC001529417042 1059772427 /nfs/dbraw/zinc/77/24/27/1059772427.db2.gz HAVVIXOQRJHQMM-CTNYNGJSSA-N 0 0 507.544 2.913 50 0 KFAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H]2OC(C)(C)O[C@H]21 ZINC001529417043 1059772946 /nfs/dbraw/zinc/77/29/46/1059772946.db2.gz HAVVIXOQRJHQMM-KDQZPGIASA-N 0 0 507.544 2.913 50 0 KFAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H]2OC(C)(C)O[C@@H]21 ZINC001529417044 1059773260 /nfs/dbraw/zinc/77/32/60/1059773260.db2.gz HAVVIXOQRJHQMM-WLLUSJSYSA-N 0 0 507.544 2.913 50 0 KFAARN